818	474	478	0:SP2_SP3_SP3	C[5,6]	C[5]	C[4,6]	4:3:4:	3:4:1:1:	4:4:3:1:	C[4,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5,6]-3:H-1:	C[5,6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]HH)(H)2	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[5,6]C[5,6]C[5])(H)	C[5,6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[4,6]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[5,6]C[5,6]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	123.9680	0.000	1	123.9680	0.000	1	123.9680	0.000	1	123.9680	0.000	1	123.9680	0.000	1	122.5125	4.237	2
818	474	478	0:SP2_SP3_SP3	C[5]	C[5]	C[4]	4:4:3:	3:4:1:1:	4:4:3:1:	C[4]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-3:H-1:	C[5](C[4]C[4,5]2H)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2	C[4](C[4,5]C[4,5,5]C[5]H)2(C[5]C[5]2)(H)	C[5](C[4]C[4,5]2H)(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[4](C[4,5]C[4,5,5]C[5]H)2(C[5]C[5]2)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	122.5125	4.237	2
818	474	478	5:SP2_SP3_SP3	C[5,5]	C[3x5,3x6]	C[4,5,5,6]	4:4:1:	4:4:3:1:	4:4:3:4:	C[4,5,5,6]-4:C[3x5,3x6]-4:O-1:	C[4,5,5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[4,4,5,6,6]-4:C[4,5,5,3x6]-4:C[5,5]-3:C-4:	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,5,3x6]C)(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]H)(O)	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]C)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]O)(H)	C[4,5,5,6](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,3x6]C[5])(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]C)(C[5,5]C[3x5,3x6]O)(CH3)	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,5,3x6]C)(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]H)(O){1|C<3>,1|H<1>,5|C<4>}	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]C)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]O)(H){1|O<1>,5|C<4>}	C[4,5,5,6](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,3x6]C[5])(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]C)(C[5,5]C[3x5,3x6]O)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	100.8880	0.000	1	100.8880	0.000	1	100.8880	0.000	1	100.8880	0.000	1	100.4151	0.447	2	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,5]	C[3x5,3x6]	C[4,5,5,6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[4,5,5,6]-4:C[3x5,3x6]-4:C-3:	C[4,5,5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[4,4,5,6,6]-4:C[4,5,5,3x6]-4:C[5,5]-3:H-1:	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,5,3x6]H)(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]H)(CBr2)	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]H)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]C)(H)	C[4,5,5,6](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,3x6]H)(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]H)(C[5,5]C[3x5,3x6]C)(H)	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,5,3x6]H)(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]H)(CBr2){1|C<3>,2|C<4>,4|H<1>}	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]H)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]C)(H){1|C<3>,1|C<4>,4|H<1>}	C[4,5,5,6](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,3x6]H)(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]H)(C[5,5]C[3x5,3x6]C)(H){1|C<3>,1|C<4>,4|H<1>}	99.9421	0.000	1	99.9421	0.000	1	99.9421	0.000	1	99.9421	0.000	1	100.4151	0.447	2	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,5]	C[5,5,4x6]	C[4,5,5,6]	4:4:3:	4:4:3:4:	4:4:3:4:	C[4,5,5,6]-4:C[5,5,4x6]-4:C[5]-3:	C[4,5,4x6]-4:C[5,5x6]-4:C[5,5]-3:C-4:	C[4,4,5,6,6]-4:C[4,5,4x6]-4:C[5,5]-3:C-4:	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,4x6]C)(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C)(C[5]S[5]2)	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3)	C[4,5,5,6](C[4,4,5,6,6]C[4,4,3x6]C[4,5,4x6]C[6a])(C[4,5,4x6]C[4,4,3x6]C[5,5x6]H)(C[5,5]C[5,5,4x6]C[5])(CH3)	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,4x6]C)(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C)(C[5]S[5]2){2|H<1>,3|C<4>,4|C<3>}	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3){2|S<2>,3|C<3>,3|C<4>,4|H<1>}	C[4,5,5,6](C[4,4,5,6,6]C[4,4,3x6]C[4,5,4x6]C[6a])(C[4,5,4x6]C[4,4,3x6]C[5,5x6]H)(C[5,5]C[5,5,4x6]C[5])(CH3){2|H<1>,2|S<2>,3|C<3>,3|C<4>}	98.4376	0.000	1	98.4376	0.000	1	98.4376	0.000	1	98.4376	0.000	1	98.4376	0.000	1	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,3x6]	4:4:1:	4:4:3:1:	4:4:3:4:	C[4,5,3x6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:C[3x6]-4:	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2H)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H)	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2H)(O){2|C<3>,4|H<1>,5|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[4,5,3x6]O)(H){1|O<1>,4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	104.9120	0.000	1	104.9120	0.000	1	104.5050	0.331	2	104.5050	0.331	2	103.5864	0.789	5	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,3x6]	4:4:1:	4:4:3:1:	4:4:3:4:	C[4,5,3x6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:C[3x6]-4:	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2H)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H)	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2H)(O){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H){4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,6|H<1>}	104.0980	0.000	1	104.0980	0.000	1	104.5050	0.331	2	104.5050	0.331	2	103.5864	0.789	5	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,3x6]	4:4:1:	4:4:3:2:	4:4:3:4:	C[4,5,3x6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:C[3x6]-4:	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2C)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H)	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2C)(O){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN){4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H){1|C<2>,2|C<3>,4|C<4>,5|H<1>}	102.9680	0.000	1	102.9680	0.000	1	102.9680	0.000	1	102.9680	0.000	1	103.5864	0.789	5	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,3x6]	4:4:1:	4:4:3:2:	4:4:4:3:	C[4,5,3x6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[3,6,6]-4:C[5,6]-3:	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3,6,6])(C[5,3x6]C[5,3x6]2C)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[5,6,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3,6,6]C[3,5,6]2C)(C[5,6]C[5,3x6]O)	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3,6,6])(C[5,3x6]C[5,3x6]2C)(O){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN){4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[5,6,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3,6,6]C[3,5,6]2C)(C[5,6]C[5,3x6]O){1|C<2>,1|C<3>,4|H<1>,5|C<4>}	103.0550	0.000	1	103.0550	0.000	1	103.0550	0.000	1	102.9770	0.012	2	103.5864	0.789	5	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,3x6]	4:4:1:	4:4:3:2:	4:4:4:3:	C[4,5,3x6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,3x6]-4:C[5,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,5,3x6])(C[5,3x6]C[5,3x6]2C)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[5,3x6]O[5,6])(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,5,3x6])(C[5,3x6]C[5,3x6]2C)(O){1|O<2>,4|H<1>,6|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN){4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[5,3x6]O[5,6])(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O){1|C<2>,1|O<2>,5|H<1>,6|C<4>}	102.8990	0.000	1	102.8990	0.000	1	102.8990	0.000	1	102.9770	0.012	2	103.5864	0.789	5	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,6,6]	4:4:1:	4:4:3:1:	4:4:4:3:	C[4,5,6,6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[6]-4:C[5,6]-3:	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2H)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[6]C[5,6]C[5]H)(C[5,6]C[5,3x6]O)	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2H)(O){1|O<2>,4|H<1>,6|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H){4|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[6]C[5,6]C[5]H)(C[5,6]C[5,3x6]O){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	105.4300	0.000	1	105.4300	0.000	1	105.4300	0.000	1	105.4300	0.000	1	104.5500	1.549	2	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,6,6]	4:4:1:	4:4:3:2:	4:4:3:3:	C[4,5,6,6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2C)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]O[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[6]C[6]H)	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2C)(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN){1|C<3>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]O[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[6]C[6]H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	103.6700	0.000	1	103.6700	0.000	1	103.6700	0.000	1	103.6700	0.000	1	104.5500	1.549	2	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,3x6]	4:4:1:	4:4:3:1:	4:4:4:3:	C[4,5,3x6]-4:C[5,5,6,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,5,6]-4:C[3x6]-4:C[5,6]-3:	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[3x6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,5,6,6]O)	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[3x6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H){3|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,5,6,6]O){2|C<3>,4|C<4>,6|H<1>}	104.8270	0.000	1	104.8270	0.000	1	104.8270	0.000	1	104.8270	0.000	1	104.8270	0.000	1	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6,6]	4:4:1:	4:4:3:1:	4:4:3:4:	C[4,5,6,6]-4:C[5,5,6,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH)	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O){1|C<3>,5|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH){1|O<1>,4|C<4>,7|H<1>}	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	105.5090	0.000	1	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[4,5,6]-4:C[5,5,6,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6,6]-4:C[4,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[4,5,6]C[4,5,5,6,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6,6]C[5,5]C[6a])(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[3x5,6]C[6,6a])(C[4,5,6]C[4,5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(H)	C[5,6](C[4,5,6]C[4,5,5,6,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6,6]C[5,5]C[6a])(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[4,5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[3x5,6]C[6,6a])(C[4,5,6]C[4,5,5,6,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	104.3190	0.066	2	104.3190	0.004	2	104.3190	0.004	2	104.7960	0.165	8	104.9958	0.233	12	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(H){1|O<1>,3|C<4>,3|H<1>}	104.9820	0.190	3	104.9820	0.036	3	104.8595	0.084	4	104.7960	0.165	8	104.9958	0.233	12	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]O)(C[5,6]C[5,5,6,6]O)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]O)(C[5,6]C[5,5,6,6]O)(H){1|O<1>,3|C<4>,3|H<1>}	104.4920	0.000	1	104.4920	0.000	1	104.8595	0.084	4	104.7960	0.165	8	104.9958	0.233	12	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[4,5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|H<1>,4|C<4>}	C[4,5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	104.8450	0.000	1	104.8450	0.000	1	105.1460	0.181	2	104.7960	0.165	8	104.9958	0.233	12	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[4,5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[4,5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	105.4470	0.000	1	105.4470	0.000	1	105.1460	0.181	2	104.7960	0.165	8	104.9958	0.233	12	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:3:4:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]C)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]O)(CH3)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]C)(O){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]O)(CH3){1|O<1>,3|C<4>,3|H<1>}	105.9670	0.000	1	105.9670	0.000	1	105.9670	0.000	1	105.9670	0.000	1	104.9958	0.233	12	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:4:3:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-3:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]2)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]2)(O){2|C<3>,4|H<1>,5|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[3,5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|H<1>,5|C<4>}	C[4,5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O){1|C<3>,2|O<1>,5|H<1>,6|C<4>}	105.1220	0.000	1	105.1220	0.000	1	105.2047	0.009	3	105.2047	0.009	3	104.9958	0.233	12	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:4:3:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-3:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]2)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]2)(O){2|C<3>,4|H<1>,5|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O){1|C<3>,2|O<1>,5|H<1>,6|C<4>}	105.2460	0.093	2	105.2460	0.009	2	105.2047	0.009	3	105.2047	0.009	3	104.9958	0.233	12	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[4,5,6]	4:4:1:	3:4:2:4:	4:4:3:4:	C[4,5,6]-4:C[5,6]-4:O-1:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[4,5]-4:C[4,6]-4:C[5,6]-3:C-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[5,6]C[6]O[5]C)(O)	C[5,6](C[5,6]C[4,5,6]O)(C[6]C[6]HH)(O[5]C[4,5])(CH3)	C[4,5,6](C[4,5]C[4]O[5]H)(C[4,6]C[4]C[6]H)(C[5,6]C[5,6]O)(CHHO)	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[5,6]C[6]O[5]C)(O){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[4,5,6]O)(C[6]C[6]HH)(O[5]C[4,5])(CH3){3|C<4>,3|H<1>}	C[4,5,6](C[4,5]C[4]O[5]H)(C[4,6]C[4]C[6]H)(C[5,6]C[5,6]O)(CHHO){2|C<4>,4|H<1>}	104.1510	0.000	1	104.1510	0.000	1	104.1510	0.000	1	104.1510	0.000	1	104.1510	0.000	1	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5,5]	C[4,5]	4:4:1:	3:4:2:3:	4:4:3:1:	C[4,5]-4:C[5,5]-4:O-1:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[4,5]-4:C[4,6]-4:C[5]-3:H-1:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O)	C[4,5](C[4,5]C[4,6]C[6a]O[5])(C[4,6]C[4,6]C[6]H)(C[5]C[5,5]O)(H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,5]C[5]2O[5])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O){1|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4,6]C[6a]O[5])(C[4,6]C[4,6]C[6]H)(C[5]C[5,5]O)(H){2|H<1>,3|C<4>,4|C<3>}	107.2740	0.000	1	107.0545	0.096	2	107.0545	0.096	2	107.0545	0.096	2	107.0545	0.096	2	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5,5]	C[4,5]	4:4:1:	3:4:2:3:	4:4:3:1:	C[4,5]-4:C[5,5]-4:O-1:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[4,5]-4:C[4,6]-4:C[5]-3:H-1:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,5]C[5]2O[5])(O)	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O)	C[4,5](C[4,5]C[4,6]C[6a]O[5])(C[4,6]C[4,6]C[6]H)(C[5]C[5,5]O)(H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,5]C[5]2O[5])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5](C[5]C[4,5]O)(C[5]C[5]CC)(O[5]C[4,5])(C[5]O[5]O){1|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4,6]C[6a]O[5])(C[4,6]C[4,6]C[6]H)(C[5]C[5,5]O)(H){2|H<1>,3|C<4>,4|C<3>}	106.8350	0.000	1	107.0545	0.096	2	107.0545	0.096	2	107.0545	0.096	2	107.0545	0.096	2	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5,5,6]	4:4:1:	4:3:1:1:	4:4:3:3:	C[4,5,5,6]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[4,5,5,6]C[4,5,5,6]2C[5,6])(C[5]C[5]HH)(O)	C[5](C[5]C[4,5,5,6]HH)(C[5]C[4,5,5,6]O)(H)2	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[5,6]C[5])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[5]C[5]O)	C[5](C[4,5,5,6]C[4,5,5,6]2C[5,6])(C[5]C[5]HH)(O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](C[5]C[4,5,5,6]HH)(C[5]C[4,5,5,6]O)(H)2{2|C<3>,2|C<4>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[5,6]C[5])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[5]C[5]O){1|O<1>,3|C<4>,7|H<1>}	108.0950	0.000	1	108.0950	0.000	1	108.0950	0.000	1	108.0950	0.000	1	108.0950	0.000	1	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5,5]	4:4:1:	3:4:1:1:	4:4:4:3:	C[4,5,5]-4:C[5]-4:O-1:	C[5]-3:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[4,5,5]O)(C[5]C[4,5]HH)(H)2	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]O)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]HH)(O){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[4,5,5]O)(C[5]C[4,5]HH)(H)2{1|H<1>,3|C<4>}	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]O){2|C<4>,8|H<1>}	108.7963	0.940	4	108.7963	0.883	4	108.7963	0.883	4	108.6008	0.702	6	108.6008	0.702	6	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5,5]	4:4:1:	3:4:1:1:	4:4:4:3:	C[4,5,5]-4:C[5]-4:O-1:	C[5]-3:C[5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[4,5,5]O)(C[5]C[4,5]HH)(H)2	C[4,5,5](C[4,5]C[4]C[5]H)2(C[5]C[5]HO)(C[5]C[5]O)	C[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]HH)(O){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[4,5,5]O)(C[5]C[4,5]HH)(H)2{1|H<1>,3|C<4>}	C[4,5,5](C[4,5]C[4]C[5]H)2(C[5]C[5]HO)(C[5]C[5]O){10|H<1>}	107.7610	0.000	1	107.7610	0.000	1	107.7610	0.000	1	108.6008	0.702	6	108.6008	0.702	6	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5,5]	4:4:1:	3:4:1:1:	4:4:4:3:	C[4,5,5]-4:C[5]-4:O-1:	C[5]-3:C[5]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5,5]-4:C[5]-3:	C[5](C[4,5,5]C[4,5]C[4,6]C[5,5])(C[5]C[5]HH)(O)	C[5](C[5]C[4,5,5]O)(C[5]C[5,5]CH)(H)2	C[4,5,5](C[4,5]C[4,6]C[5]C)(C[4,6]C[4,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]O)	C[5](C[4,5,5]C[4,5]C[4,6]C[5,5])(C[5]C[5]HH)(O){1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[4,5,5]O)(C[5]C[5,5]CH)(H)2{4|C<4>}	C[4,5,5](C[4,5]C[4,6]C[5]C)(C[4,6]C[4,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]O){1|C<3>,2|C<4>,9|H<1>}	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	108.6008	0.702	6	108.6008	0.702	6	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5,6,6]	4:4:1:	3:4:1:1:	4:4:4:3:	C[4,5,6,6]-4:C[5]-4:O-1:	C[5]-3:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[6,6]-4:C[5]-3:	C[5](C[4,5,6,6]C[4,5,6]2C[6,6])(C[5]C[5]HH)(O)	C[5](C[5]C[4,5,6,6]O)(C[5]C[4,5,6]HH)(H)2	C[4,5,6,6](C[4,5,6]C[4,5,6,6]C[5]H)2(C[6,6]C[6,6]HO)(C[5]C[5]O)	C[5](C[4,5,6,6]C[4,5,6]2C[6,6])(C[5]C[5]HH)(O){1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[4,5,6,6]O)(C[5]C[4,5,6]HH)(H)2{1|H<1>,3|C<4>}	C[4,5,6,6](C[4,5,6]C[4,5,6,6]C[5]H)2(C[6,6]C[6,6]HO)(C[5]C[5]O){2|C<4>,9|H<1>}	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5,6]	4:4:1:	4:3:4:1:	4:4:3:4:	C[4,5,6]-4:C[5]-4:O-1:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[4,5,5,6,6]-4:C[4,5,6,6]-4:C[5]-3:C-4:	C[5](C[4,5,6]C[4,5,5,6,6]C[4,5,6,6]C)(C[5]C[5,5,6,6]CH)(O)	C[5](C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)(C[5]C[4,5,6]O)(CH3)(H)	C[4,5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,5,6,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,6,6]H)(C[5]C[5]O)(CH3)	C[5](C[4,5,6]C[4,5,5,6,6]C[4,5,6,6]C)(C[5]C[5,5,6,6]CH)(O){3|C<4>,3|H<1>}	C[5](C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)(C[5]C[4,5,6]O)(CH3)(H){2|H<1>,5|C<4>}	C[4,5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,5,6,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,6,6]H)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,4|H<1>}	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5]	4:4:1:	3:3:3:1:	3:4:3:3:	C[4,5]-4:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4]-4:C[5]-3:N[4]-3:	C[5](C[4,5]C[5,6a]C[4]N[4])(C[5]C[5,6a]C[6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)(H)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]2C[4])(C[5]C[5]O)(N[4]C[4]C)	C[5](C[4,5]C[5,6a]C[4]N[4])(C[5]C[5,6a]C[6a]H)(O){1|C<4>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[4]C[6a]2C[4])(C[5]C[5]O)(N[4]C[4]C){1|O<1>,2|H<1>,7|C<3>}	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	109.3807	1.548	9	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5]	4:4:1:	3:4:4:1:	4:4:4:3:	C[4,5]-4:C[5]-4:O-1:	C[5]-3:C[5]-4:C-4:H-1:	C[4]-4:C[4]-4:C[5]-4:C[5]-3:	C[5](C[4,5]C[4]2C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[4,5]O)(C[5]C[5]HH)(CC[6a]HH)(H)	C[4,5](C[4]C[4,5]C[6a]H)2(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[4,5]C[4]2C[5])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[4,5]O)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[4,5](C[4]C[4,5]C[6a]H)2(C[5]C[5]HH)(C[5]C[5]O){2|C<4>,3|H<1>,5|C<3>}	110.6080	0.000	1	110.6080	0.000	1	110.6080	0.000	1	110.6080	0.000	1	109.3807	1.548	9	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5]	4:4:1:	4:3:1:1:	4:4:3:1:	C[4,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[4,3x5]-4:C[4]-4:C[5]-3:H-1:	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[4,5]O)(H)2	C[4,5](C[4,3x5]C[4,5]C[5,5]2)(C[4]C[4,5]HH)(C[5]C[5]O)(H)	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(O){2|H<1>,4|C<4>}	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[4,5]O)(H)2{3|H<1>,4|C<4>}	C[4,5](C[4,3x5]C[4,5]C[5,5]2)(C[4]C[4,5]HH)(C[5]C[5]O)(H){1|O<2>,2|H<1>,6|C<4>}	110.8090	0.000	1	110.8090	0.000	1	110.5435	0.141	2	110.1433	0.551	3	109.3807	1.548	9	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5]	4:4:1:	4:3:1:1:	4:4:3:1:	C[4,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[4,3x5]-4:C[4]-4:C[5]-3:H-1:	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]O)(H)2	C[4,5](C[4,3x5]C[4,5]C[5,5]2)(C[4]C[4,5]HH)(C[5]C[5]O)(H)	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(O){3|C<4>,3|H<1>}	C[5](C[5,5]C[4,3x5]C[5]H)(C[5]C[4,5]O)(H)2{3|H<1>,4|C<4>}	C[4,5](C[4,3x5]C[4,5]C[5,5]2)(C[4]C[4,5]HH)(C[5]C[5]O)(H){1|O<2>,4|C<4>,4|H<1>}	110.2780	0.000	1	110.2780	0.000	1	110.5435	0.141	2	110.1433	0.551	3	109.3807	1.548	9	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5]	4:4:1:	4:3:1:1:	4:4:3:1:	C[4,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[4,4]-4:C[4,5]-4:C[5]-3:H-1:	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]HH)(O)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2	C[4,5](C[4,4]C[4,6,6]C[4,4]H)(C[4,5]C[4,4]C[5]H)(C[5]C[5]O)(H)	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]HH)(O){2|C<4>,4|H<1>}	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2{2|C<4>,2|H<1>}	C[4,5](C[4,4]C[4,6,6]C[4,4]H)(C[4,5]C[4,4]C[5]H)(C[5]C[5]O)(H){2|C<4>,6|H<1>}	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	110.1433	0.551	3	109.3807	1.548	9	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5]	4:4:1:	4:3:1:1:	4:4:3:4:	C[4,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-3:C-4:	C[5](C[4,5]C[4,5]2C)(C[5]C[5]HH)(O)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]C[5]O)(CH3)	C[5](C[4,5]C[4,5]2C)(C[5]C[5]HH)(O){2|C<4>,4|H<1>}	C[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(H)2{1|H<1>,3|C<4>}	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,6|H<1>}	109.9560	0.000	1	109.9560	0.000	1	109.9560	0.000	1	109.9560	0.000	1	109.3807	1.548	9	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5]	4:4:3:	3:2:1:1:	4:3:3:1:	C[4,5]-4:C[5]-4:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[4,5]-4:C[4]-3:C[5]-3:Cl-1:	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClC)	C[5](C[5]C[4,5]C)(O[5]C[4,5])(H)2	C[4,5](C[4,5]C[6a]N[4]O[5])(C[4]N[4]O)(C[5]C[5]C)(Cl)	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClC){1|C<3>,1|N<3>,1|O<1>}	C[5](C[5]C[4,5]C)(O[5]C[4,5])(H)2{1|Cl<1>,1|N<3>,2|C<3>}	C[4,5](C[4,5]C[6a]N[4]O[5])(C[4]N[4]O)(C[5]C[5]C)(Cl){2|H<1>,3|C<3>}	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	109.3807	1.548	9	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5]	4:4:3:	3:4:1:1:	4:4:3:3:	C[4,5]-4:C[5]-4:C-3:	C[5]-3:C[5]-4:H-1:H-1:	C[4]-4:C[4]-4:C[5]-3:N[5]-3:	C[5](C[4,5]C[4]2N[5])(C[5]C[5]HH)(CHH)	C[5](C[5]C[4,5]C)(C[5]N[5]HH)(H)2	C[4,5](C[4]N[4]HH)2(C[5]C[5]C)(N[5]C[5]C)	C[5](C[4,5]C[4]2N[5])(C[5]C[5]HH)(CHH){1|C<4>,1|N<3>,6|H<1>}	C[5](C[5]C[4,5]C)(C[5]N[5]HH)(H)2{3|C<4>}	C[4,5](C[4]N[4]HH)2(C[5]C[5]C)(N[5]C[5]C){1|C<3>,4|H<1>}	107.5850	0.000	1	107.5850	0.000	1	107.5850	0.000	1	107.5850	0.000	1	109.3807	1.548	9	106.1250	8.065	45
818	474	478	5:SP2_SP3_SP3	C[5]	C[5]	C[4,5]	4:4:3:	4:3:1:1:	4:4:3:1:	C[4,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-3:H-1:	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCH)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]C)(H)2	C[4,5](C[4,5]C[4,5]C[5]C)(C[4,5]C[4,5]C[5]H)(C[5]C[5]C)(H)	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCH){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[4,5]CH)(C[5]C[4,5]C)(H)2{2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4,5]C[5]C)(C[4,5]C[4,5]C[5]H)(C[5]C[5]C)(H){1|S<2>,3|C<4>,5|H<1>}	107.7850	0.000	1	107.7850	0.000	1	107.7850	0.000	1	107.7850	0.000	1	109.3807	1.548	9	106.1250	8.065	45
818	474	478	6:SP2_SP3_SP3	C[5,5,6]	C[4x5,6]	C[4,5,5,6]	4:4:1:	4:4:3:4:	4:4:3:1:	C[4,5,5,6]-4:C[4x5,6]-4:O-1:	C[4,4x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-3:C-4:	C[4,5,5,6,6]-4:C[4,5]-4:C[5,5,6]-3:H-1:	C[5,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5]H)(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C)(O)	C[4x5,6](C[4,4x5,6]C[4,5,5,6,6]C[4,5]C[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[4,5,5,6]O)(CCHH)	C[4,5,5,6](C[4,5,5,6,6]C[4,4x5,6]C[5,6,6]C)(C[4,5]C[4,4x5,6]CH)(C[5,5,6]C[4x5,6]O)(H)	C[5,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5]H)(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C)(O){2|H<1>,5|C<4>}	C[4x5,6](C[4,4x5,6]C[4,5,5,6,6]C[4,5]C[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[4,5,5,6]O)(CCHH){1|O<2>,2|C<4>,7|H<1>}	C[4,5,5,6](C[4,5,5,6,6]C[4,4x5,6]C[5,6,6]C)(C[4,5]C[4,4x5,6]CH)(C[5,5,6]C[4x5,6]O)(H){2|H<1>,3|C<4>}	102.8990	0.000	1	102.8990	0.000	1	102.8990	0.000	1	102.8990	0.000	1	102.8990	0.000	1	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[4,6,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,6,6]-4:C[4,6,6]-4:C[5]-3:	C[5,6,6]-3:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-3:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[4,6,6]C[4,6]2H)(C[5]S[5]H)	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H)	C[4,6,6](C[5,6,6]C[5,6,6]C[5])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[4,6,6]C[4,6]2H)(C[5]S[5]H){1|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[6,6]C[4,6,6]HH)(C[5]C[6a]S[5]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[4,6,6](C[5,6,6]C[5,6,6]C[5])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|S<4>,2|C<4>,3|H<1>}	116.5180	0.298	2	116.5180	0.089	2	116.5180	0.089	2	116.5180	0.089	2	115.1273	5.846	3	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[4,6,6]	4:4:3:	3:4:4:3:	4:4:3:1:	C[5,6,6]-4:C[4,6,6]-4:C[5]-3:	C[5,6,6]-3:C[5,6]-4:C[5]-4:C[6]-3:	C[4,5,6]-4:C[4,5,6]-4:C[5,6,6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4,6,6]C[4,5,6]2H)(C[5]C[5]H)	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O)	C[4,6,6](C[4,5,6]C[4,5,5]C[5]N[6])(C[4,5,6]C[4,5,5]C[5,6]C)(C[5,6,6]C[5,6,6]C[5])(H)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4,6,6]C[4,5,6]2H)(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O){1|Cl<1>,4|C<4>,5|H<1>}	C[4,6,6](C[4,5,6]C[4,5,5]C[5]N[6])(C[4,5,6]C[4,5,5]C[5,6]C)(C[5,6,6]C[5,6,6]C[5])(H){1|Cl<1>,1|C<3>,2|O<2>,4|H<1>,5|C<4>}	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	112.3460	0.000	1	115.1273	5.846	3	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,3x6]	4:4:1:	4:4:3:1:	4:4:3:4:	C[4,5,3x6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:C[3x6]-4:	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2H)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H)	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2H)(O){2|C<3>,4|H<1>,5|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[5,6]C[4,5,3x6]O)(H){1|O<1>,4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	104.8450	0.000	1	104.8450	0.000	1	104.8450	0.000	1	104.8450	0.000	1	103.9095	0.458	4	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,3x6]	4:4:1:	4:4:3:1:	4:4:4:3:	C[4,5,3x6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[3,6,6]-4:C[5,6]-3:	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3,6,6])(C[5,3x6]C[5,3x6]2H)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[5,6,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3,6,6]C[3,5,6]2C)(C[5,6]C[5,3x6]O)	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3,6,6])(C[5,3x6]C[5,3x6]2H)(O){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H){4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[5,6,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3,6,6]C[3,5,6]2C)(C[5,6]C[5,3x6]O){1|C<3>,5|C<4>,5|H<1>}	103.8670	0.000	1	103.8670	0.000	1	103.8670	0.000	1	103.8670	0.000	1	103.9095	0.458	4	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,3x6]	4:4:1:	4:4:3:2:	4:4:3:4:	C[4,5,3x6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:C[3x6]-4:	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2C)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H)	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2C)(O){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN){4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H){1|C<2>,2|C<3>,4|C<4>,5|H<1>}	103.6840	0.000	1	103.6840	0.000	1	103.6840	0.000	1	103.6840	0.000	1	103.9095	0.458	4	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,3x6]	4:4:1:	4:4:3:2:	4:4:4:3:	C[4,5,3x6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[3x6]-4:C[5,6]-3:	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2C)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,3x6]O)	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[3x6])(C[5,3x6]C[5,3x6]2C)(O){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(CN){4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,3x6]O){1|C<2>,2|C<3>,4|C<4>,5|H<1>}	103.2420	0.000	1	103.2420	0.000	1	103.2420	0.000	1	103.2420	0.000	1	103.9095	0.458	4	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,6,6]	4:4:1:	4:4:3:1:	4:4:4:3:	C[4,5,6,6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[6]-4:C[5,6]-3:	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2H)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[6]C[5,6]C[5]H)(C[5,6]C[5,3x6]O)	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2H)(O){1|O<2>,4|H<1>,6|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H){4|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[6]C[5,6]C[5]H)(C[5,6]C[5,3x6]O){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	105.7730	0.000	1	105.7730	0.000	1	105.7730	0.000	1	105.7730	0.000	1	104.9407	0.710	4	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,6,6]	4:4:1:	4:4:3:2:	4:4:3:3:	C[4,5,6,6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2C)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[6]C[6]H)	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2C)(O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN){1|C<3>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[6]C[6]H){1|C<2>,4|H<1>,5|C<4>}	103.8350	0.000	1	103.8350	0.000	1	103.8350	0.000	1	103.8350	0.000	1	104.9407	0.710	4	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,6,6]	4:4:1:	4:4:3:2:	4:4:3:4:	C[4,5,6,6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2C)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[6]C[5,6]CH)	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2C)(O){1|O<2>,4|H<1>,6|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN){4|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[6]C[5,6]CH){1|C<2>,4|H<1>,6|C<4>}	104.7800	0.000	1	104.7800	0.000	1	104.7800	0.000	1	104.7800	0.000	1	104.9407	0.710	4	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,3x6]	C[4,5,6,6]	4:4:1:	4:4:3:2:	4:4:4:3:	C[4,5,6,6]-4:C[5,3x6]-4:O-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,6]-3:C-2:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[6]-4:C[5,6]-3:	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2C)(O)	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[6]C[5,6]C[5]H)(C[5,6]C[5,3x6]O)	C[5,6](C[4,5,6,6]C[4,5,6,6]2C[6])(C[5,3x6]C[5,3x6]2C)(O){1|O<2>,4|H<1>,6|C<4>}	C[5,3x6](C[5,3x6]C[4,5,6,6]C[6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(CN){4|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[6]C[5,6]C[5]H)(C[5,6]C[5,3x6]O){1|C<2>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	105.3750	0.000	1	105.3750	0.000	1	105.3750	0.000	1	105.3750	0.000	1	104.9407	0.710	4	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,3x6]	4:4:1:	4:4:3:1:	4:4:4:3:	C[4,5,3x6]-4:C[5,5,6,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,3x6]-4:C[5,5,3x6]-4:C[4,5,5,6]-4:C[5,6]-3:	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,5,3x6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[5,3x6]O[5,6])(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)	C[5,6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,5,3x6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O){1|O<2>,4|H<1>,6|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,3x6]O)(H){3|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[5,3x6]O[5,6])(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O){1|O<2>,6|C<4>,6|H<1>}	103.8120	0.000	1	103.8120	0.000	1	103.8120	0.000	1	103.8120	0.000	1	103.8120	0.000	1	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,5,6]	4:4:1:	4:4:3:1:	4:4:3:3:	C[5,5,6,6]-4:C[4,5,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2C[5])(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[5,6]C[5])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[5]C[5]O)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2C[5])(O){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[5,6]C[5])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[5]C[5]O){1|O<1>,3|C<4>,7|H<1>}	103.5690	0.000	1	103.5690	0.000	1	103.5690	0.000	1	103.5690	0.000	1	104.2415	0.905	2	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,5,6]	4:4:1:	4:4:3:1:	4:4:3:4:	C[5,5,6,6]-4:C[4,5,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2C[5])(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[5,6]C[5])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[5]C[5]HH)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2C[5])(O){2|C<3>,4|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[5,6]C[5])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[5]C[5]HH){2|O<1>,3|C<4>,5|H<1>}	104.9140	0.000	1	104.9140	0.000	1	104.9140	0.000	1	104.9140	0.000	1	104.2415	0.905	2	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6,6]	4:4:1:	4:4:3:1:	4:4:3:3:	C[4,5,6,6]-4:C[5,5,6,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[6]H)	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]O[5,6]H)(C[5,6]C[4,5,6,6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[6]H){5|C<4>,5|H<1>}	105.1070	0.000	1	105.1070	0.000	1	105.1070	0.000	1	105.1070	0.000	1	105.4360	0.081	3	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6,6]	4:4:1:	4:4:3:1:	4:4:3:4:	C[4,5,6,6]-4:C[5,5,6,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6,6]O)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH)	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O){1|C<3>,5|C<4>,5|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH){1|O<1>,4|C<4>,7|H<1>}	105.6030	0.000	1	105.6030	0.000	1	105.6030	0.000	1	105.6005	0.000	2	105.4360	0.081	3	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6,6]	4:4:1:	4:4:3:1:	4:4:3:4:	C[4,5,6,6]-4:C[5,5,6,6]-4:O-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O)	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6,6]O)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[5,6]C[5]H)	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O){4|H<1>,7|C<4>}	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6,6]O)(H){2|O<2>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[5,6]C[5]H){2|C<3>,4|C<4>,4|O<2>,6|H<1>}	105.5980	0.000	1	105.5980	0.000	1	105.5980	0.000	1	105.6005	0.000	2	105.4360	0.081	3	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(H){1|O<1>,3|C<4>,3|H<1>}	105.0767	0.253	3	105.0643	0.043	4	105.0643	0.043	4	105.0871	0.148	8	105.1988	0.209	13	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O){4|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	105.0270	0.000	1	105.0643	0.043	4	105.0643	0.043	4	105.0871	0.148	8	105.1988	0.209	13	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[4,5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[4,5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	105.4670	0.624	2	105.4670	0.389	2	105.4670	0.389	2	105.0871	0.148	8	105.1988	0.209	13	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O)	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,5,6]H)(C[5,6]C[5,5,6,6]O)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O){4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H){2|C<4>,2|O<2>,5|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,5,6]H)(C[5,6]C[5,5,6,6]O)(H){2|O<2>,3|C<4>,3|H<1>}	104.7460	0.000	1	104.7530	0.000	2	104.7530	0.000	2	105.0871	0.148	8	105.1988	0.209	13	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O)	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,5,6]H)(C[5,6]C[5,5,6,6]O)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O){4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[3x5,6]C[5,5,6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,6]C[4,5,6]O)(H){2|C<4>,2|S<2>,5|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,5,6]H)(C[5,6]C[5,5,6,6]O)(H){2|S<2>,3|C<4>,3|H<1>}	104.7600	0.000	1	104.7530	0.000	2	104.7530	0.000	2	105.0871	0.148	8	105.1988	0.209	13	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:3:2:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-3:O-2:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]O)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(OC)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]O)(O){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)(OC){1|O<1>,3|C<4>,3|H<1>}	104.6710	0.000	1	104.6710	0.000	1	104.6710	0.000	1	104.6710	0.000	1	105.1988	0.209	13	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:3:4:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]C)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]O)(CCHH)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]C)(O){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]O)(CCHH){1|O<1>,3|C<4>,3|H<1>}	105.8835	0.016	2	105.8835	0.000	2	105.7577	0.048	3	105.7577	0.048	3	105.1988	0.209	13	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:3:4:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]C)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]O)(CH3)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]C)(O){1|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]C)(C[5,6]C[5,5,6,6]O)(CH3){1|O<1>,3|C<4>,3|H<1>}	105.5060	0.000	1	105.5060	0.000	1	105.7577	0.048	3	105.7577	0.048	3	105.1988	0.209	13	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C[4,5,6]	4:4:1:	4:4:3:1:	4:4:4:3:	C[5,5,6,6]-4:C[4,5,6]-4:O-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-3:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]2)(O)	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H)	C[4,5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]2)(O){2|C<3>,4|H<1>,5|C<4>}	C[5,5,6,6](C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,6]C[4,5,6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]O){1|C<3>,2|O<1>,5|H<1>,6|C<4>}	104.9430	0.000	1	104.9430	0.000	1	104.9430	0.000	1	104.9430	0.000	1	105.1988	0.209	13	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[4,5,6]	4:4:1:	4:3:2:1:	4:3:4:4:	C[5,5,6]-4:C[4,5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:H-1:	C[5,5,6]-4:C[5,6]-3:C[4]-4:C[4]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[4,5,6]C[5,5,6]C[4]2)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[4,5,6]O)(O[5,5]C[5,5,6])(H)	C[4,5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(C[4]C[4]HH)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[4,5,6]C[5,5,6]C[4]2)(O){4|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[4,5,6]O)(O[5,5]C[5,5,6])(H){1|C<3>,3|H<1>,4|C<4>}	C[4,5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(C[4]C[4]HH)2{1|C<3>,1|C<4>,4|H<1>}	104.7280	0.000	1	104.7280	0.000	1	104.7280	0.000	1	104.7280	0.000	1	105.6750	1.794	2	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[4,5,6]	4:4:1:	4:3:4:1:	4:4:3:4:	C[4,5,6]-4:C[5,5,6]-4:O-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[4,6]-4:C[5,6]-3:C[4]-4:	C[5,6](C[4,5,6]C[5,5,6]C[4,6]C[4])(C[5,5,6]C[5,5]C[5,6]H)(O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[4,5,6]O)(C[5,6]C[5,6]HH)(H)	C[4,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[4,6]C[4]C[6]2)(C[5,6]C[5,5,6]O)(C[4]C[4]HH)	C[5,6](C[4,5,6]C[5,5,6]C[4,6]C[4])(C[5,5,6]C[5,5]C[5,6]H)(O){1|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[4,5,6]O)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[4,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[4,6]C[4]C[6]2)(C[5,6]C[5,5,6]O)(C[4]C[4]HH){1|O<1>,3|C<4>,9|H<1>}	106.6220	0.000	1	106.6220	0.000	1	106.6220	0.000	1	106.6220	0.000	1	105.6750	1.794	2	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[4,5,6]	4:4:1:	4:3:3:1:	4:4:3:1:	C[4,5,6]-4:C[5,6,6]-4:H-1:	C[4,5,4x6]-4:C[5,6]-3:C[5,6]-3:H-1:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,6,6]C[4,5,4x6]C[5,6]H)(H)	C[5,6,6](C[4,5,4x6]C[4,5,5,6,6]2C[6,6])(C[5,6]C[4,5,6]H)2(H)	C[4,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5,5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,6,6]H)(H)	C[5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,6,6]C[4,5,4x6]C[5,6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[4,5,4x6]C[4,5,5,6,6]2C[6,6])(C[5,6]C[4,5,6]H)2(H){1|C<3>,3|C<4>,3|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5,5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,6,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.2000	0.000	1	122.2000	0.000	1	122.2000	0.000	1	122.2000	0.000	1	122.2000	0.000	1	106.5712	20.158	35
818	474	478	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[4,6]	4:4:3:	3:4:4:1:	3:4:3:1:	C[4,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[4,6]-4:N[4]-3:H-1:	C[5,6](C[4,6]C[4,6]N[4]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[4,6](C[5,6]C[5,6]C[5])(C[4,6]C[4]N[6]H)(N[4]C[6a]C[4])(H)	C[5,6](C[4,6]C[4,6]N[4]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<4>}	C[4,6](C[5,6]C[5,6]C[5])(C[4,6]C[4]N[6]H)(N[4]C[6a]C[4])(H){1|H<1>,1|O<1>,1|S<4>,3|C<3>,3|C<4>}	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	106.5712	20.158	35
818	474	486	0:SP2_SP3_SP3	C[5,5]	C[5]	C[3,5,5]	4:3:4:	3:4:1:1:	4:3:4:4:	C[3,5,5]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5,5]-3:C[3]-4:C[5]-4:	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[3,5,5]C[5,5])(C[5]C[5]HH)(H)2	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH)	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|Br<1>,1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[3,5,5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH){1|C<3>,2|C<4>,6|H<1>}	134.6280	0.000	1	134.6745	0.004	2	134.6745	0.004	2	134.6745	0.004	2	134.6745	0.004	2	123.1169	31.103	17
818	474	486	0:SP2_SP3_SP3	C[5,5]	C[5]	C[3,5,5]	4:3:4:	3:4:1:1:	4:3:4:4:	C[3,5,5]-4:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5,5]-3:C[3]-4:C[5]-4:	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[3,5,5]C[5,5])(C[5]C[5]HH)(H)2	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH)	C[5,5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|Br<1>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,5]C[3,5,5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	134.7210	0.000	1	134.6745	0.004	2	134.6745	0.004	2	134.6745	0.004	2	134.6745	0.004	2	123.1169	31.103	17
818	474	486	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[3]	4:3:4:	3:2:3:2:	3:4:4:3:	C[5,5,6]-4:C[5,6]-3:C[3]-4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:O-2:	C[5,6]-3:C[3,5]-4:C[3,5]-4:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C)	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC)	C[3](C[5,6]C[5,5,6]C[5,6])(C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]O[5]C)(COO)	C[5,6](C[5,5,6]C[5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(C[3]C[3,5]2C){1|C<4>,1|O<2>,5|C<3>}	C[5,5,6](C[5,6]C[5,6]C[3])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(OC){2|C<4>,4|C<3>}	C[3](C[5,6]C[5,5,6]C[5,6])(C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]O[5]C)(COO){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	124.1080	0.000	1	124.1080	0.000	1	124.1080	0.000	1	124.1080	0.000	1	124.1080	0.000	1	123.1169	31.103	17
818	474	486	0:SP2_SP3_SP3	C[5,6]	C[5,6]	C[3,5]	4:4:3:	3:4:4:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-3:H-1:	C[5,6](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5]C[5,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5,6]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]){6|C<4>,7|H<1>}	C[5,6](C[5,6]C[3,5]C[5,6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){5|C<4>,6|H<1>}	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5,6]C[5,6]2)(H){5|C<4>,7|H<1>}	126.2510	0.000	1	126.2510	0.000	1	126.2510	0.000	1	126.2510	0.000	1	126.2510	0.000	1	123.1169	31.103	17
818	474	486	0:SP2_SP3_SP3	C[5,6]	C[5]	C[3,5,6,6]	4:4:3:	3:3:2:1:	4:4:4:3:	C[3,5,6,6]-4:C[5]-4:C[5,6]-3:	C[5,6]-3:C[5a]-3:O[5]-2:H-1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])	C[5](C[5,6]C[3,5,6,6]C[5,6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]C[5])	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5]C[5a]O[5]H)(C[5,6]C[5]C[6]){1|C<2>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[3,5,6,6]C[5,6])(C[5a]C[5a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	127.7100	0.065	2	127.7100	0.004	2	127.7100	0.004	2	127.7100	0.004	2	127.7100	0.004	2	123.1169	31.103	17
818	474	486	0:SP2_SP3_SP3	C[5,6]	C[5]	C[3,6]	4:3:4:	3:4:1:1:	3:3:4:4:	C[3,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[3]-4:C[3]-4:	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5,5]C[6])(C[5]C[5]HH)	C[5](C[5,6]C[3,6]C[5,6])(C[5]C[5,5]HH)(H)2	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[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5,5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,6|H<1>}	C[5](C[5,6]C[3,6]C[5,6])(C[5]C[5,5]HH)(H)2{2|C<4>,4|C<3>}	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>}	126.4540	0.000	1	126.4540	0.000	1	126.4540	0.000	1	126.4540	0.000	1	126.4540	0.000	1	123.1169	31.103	17
818	474	486	0:SP2_SP3_SP3	C[5]	C[5,5]	C[3]	3:4:4:	3:4:4:3:	3:4:4:1:	C[5]-3:C[5,5]-4:C[3]-4:	C[5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[3]-4:C[3]-4:H-1:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[3]C[3]2H)	C[5,5](C[5]C[3]C[5])(C[5]C[5]HH)2(C[5]N[5]C)	C[3](C[5]C[5,5]C[5])(C[3]C[3]HH)2(H)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[3]C[3]2H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,8|H<1>}	C[5,5](C[5]C[3]C[5])(C[5]C[5]HH)2(C[5]N[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[3](C[5]C[5,5]C[5])(C[3]C[3]HH)2(H){2|C<4>,3|C<3>}	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	119.6327	0.155	3	123.1169	31.103	17
818	474	486	0:SP2_SP3_SP3	C[5]	C[5,5]	C[3]	4:4:3:	3:4:3:1:	3:4:4:1:	C[5,5]-4:C[3]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[3]-4:C[3]-4:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[3]C[3]2H)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[3]C[5])(H)	C[3](C[5]C[5,5]C[5])(C[3]C[3]HH)2(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[3]C[3]2H)(C[5]C[5]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[3]C[5])(H){2|C<3>,3|H<1>,5|C<4>}	C[3](C[5]C[5,5]C[5])(C[3]C[3]HH)2(H){1|C<3>,2|C<4>,2|H<1>}	119.4085	0.094	2	119.4085	0.009	2	119.4085	0.009	2	119.4085	0.009	2	119.6327	0.155	3	123.1169	31.103	17
818	474	486	0:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:3:	3:2:1:1:	4:4:2:3:	C[3,5]-4:C[5]-4:C[5]-3:	C[5]-3:O[5]-2:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C[5]-3:	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]O[5]HH)(C[5]C[5]C)	C[5](C[5]C[3,5]C[5])(O[5]C[5])(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])(C[5]C[5]2)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]O[5]HH)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[3,5]C[5])(O[5]C[5])(H)2{1|O<1>,1|O<2>,3|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])(C[5]C[5]2){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	121.2560	0.000	1	121.2560	0.000	1	121.2560	0.000	1	121.2560	0.000	1	119.0580	1.238	6	123.1169	31.103	17
818	474	486	0:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:3:	3:4:2:1:	4:4:3:2:	C[3,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:O[5]-2:H-1:	C[3]-4:C[5]-4:C[5]-3:O[3]-2:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)	C[5](C[5]C[3,5]C[5])(C[5]C[5]CH)(O[5]C[5])(H)	C[3,5](C[3]O[3]CC)(C[5]C[5]HH)(C[5]C[5]2)(O[3]C[3])	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5](C[5]C[3,5]C[5])(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[3,5](C[3]O[3]CC)(C[5]C[5]HH)(C[5]C[5]2)(O[3]C[3]){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	118.6184	0.313	5	118.6184	0.098	5	118.6184	0.098	5	118.6184	0.098	5	119.0580	1.238	6	123.1169	31.103	17
818	474	486	0:SP2_SP3_SP3	C[5]	C[5]	C[3]	3:4:4:	4:3:4:1:	4:4:3:1:	C[5]-3:C[3]-4:C[5]-4:	C[5]-4:C[5]-3:C-4:H-1:	C[3]-4:C[3]-4:C[5]-3:H-1:	C[5](C[5]C[6a]B[5])(C[3]C[3]2H)(C[5]C[5]CH)	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H)	C[3](C[3]C[3]HH)2(C[5]C[5]2)(H)	C[5](C[5]C[6a]B[5])(C[3]C[3]2H)(C[5]C[5]CH){1|C<2>,4|C<3>,5|H<1>}	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	C[3](C[3]C[3]HH)2(C[5]C[5]2)(H){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	123.1169	31.103	17
818	474	486	5:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[3,5,6]	4:4:1:	4:3:4:4:	4:4:3:1:	C[3,5,6]-4:C[5,6,6]-4:O-1:	C[5,6,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6,6]C[6,6]C)(O)	C[5,6,6](C[5,6,6]C[3,5,6]C[6]2)(C[5,6]C[3,5,6]O)(C[6,6]C[6,6]HO)(CH3)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6]C[5,6,6]O)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6,6]C[6,6]C)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6]C[6]2)(C[5,6]C[3,5,6]O)(C[6,6]C[6,6]HO)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6,6]C[6a])(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6]C[5,6,6]O)(H){1|O<1>,2|C<4>,4|C<3>}	107.1770	0.000	1	107.1770	0.000	1	107.1770	0.000	1	107.1770	0.000	1	105.8145	3.713	2	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[3,5,6]	4:4:3:	4:3:3:1:	4:4:3:1:	C[3,5,6]-4:C[5,6,6]-4:C-3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2)	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2){3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C)(H){2|C<3>,3|H<1>}	104.4520	0.000	1	104.4520	0.000	1	104.4520	0.000	1	104.4520	0.000	1	105.8145	3.713	2	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5,6]	C[5,6]	C[3,5]	4:4:3:	3:4:4:1:	3:4:4:3:	C[3,5]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[3]-4:C[3]-4:C[5]-3:	C[5,6](C[3,5]C[3]2C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[3,5](C[5,6]C[5,6]C[6])(C[3]C[3]HH)2(C[5]C[5]O)	C[5,6](C[3,5]C[3]2C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]C){10|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5,6]C[3,5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(H){1|O<1>,1|S<4>,4|C<4>}	C[3,5](C[5,6]C[5,6]C[6])(C[3]C[3]HH)2(C[5]C[5]O){3|C<4>,3|H<1>}	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5,6]	C[5]	C[3,5,6]	4:4:3:	3:4:1:1:	4:3:2:3:	C[3,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[3,5]-4:C[5,6]-3:O[3]-2:C[6]-3:	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]C[3,5,6]C[6])(C[5]C[3,5]HH)(H)2	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[3,5,6]C[6])(C[5]C[3,5]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O){1|C<3>,6|H<1>}	107.9870	0.000	1	107.9870	0.000	1	107.9870	0.000	1	107.9870	0.000	1	108.4760	0.478	2	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5,6]	C[5]	C[3,5,6]	4:4:3:	4:3:1:1:	4:3:3:2:	C[3,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[3,5,6]-4:C[6,6a]-3:C[5,6]-3:O[3]-2:	C[5,6](C[3,5,6]C[3,5,6]C[6,6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]Br)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5,6]C[6])(H)2	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[5,6](C[3,5,6]C[3,5,6]C[6,6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]Br){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5,6]C[3,5,6]C[6])(H)2{1|Br<1>,1|O<1>,1|O<2>,4|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>}	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.4760	0.478	2	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[3,5,6]	4:4:1:	4:4:3:1:	4:4:3:2:	C[3,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[3,6]-4:C[5]-3:O[3]-2:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5,5,6]C[5,5,6]2H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(H)	C[3,5,6](C[5,6]C[5,5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,6])	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5,5,6]C[5,5,6]2H)(O){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,5,6](C[5,6]C[5,5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,6]){1|N<3>,4|C<4>,4|H<1>}	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	108.8310	0.033	2	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[3,5,6]	4:4:1:	4:4:3:4:	4:3:3:2:	C[3,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[3,5,6]-4:C[5]-3:C[6]-3:O[3]-2:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,5,6]2C)(O)	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(CH3)	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,5,6]2C)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(CH3){1|O<2>,3|C<3>,4|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	108.9600	0.000	1	108.9600	0.000	1	108.9600	0.000	1	108.9600	0.000	1	108.8310	0.033	2	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,5,6]	C[3,5]	4:4:1:	4:4:3:1:	4:3:2:4:	C[5,5,6]-4:C[3,5]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:O[3]-2:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3,5]O[3]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]O)(H)	C[3,5](C[3,5]C[5,5,6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,5])(CC[6a]HO)	C[5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3,5]O[3]C)(O){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5]O)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[3,5](C[3,5]C[5,5,6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,5])(CC[6a]HO){2|C<4>,2|H<1>}	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,5]	C[3,5]	4:4:1:	3:3:4:1:	4:4:3:1:	C[3,5]-4:C[5,5]-4:O-1:	N[5,5]-3:C[5]-3:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]N[5,5]C[5]H)(O)	C[5,5](N[5,5]C[3,5]C[5])(C[5]C[3,5]O)(C[5]O[5]HH)(H)	C[3,5](C[3,5]N[5,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[5,5]O)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]N[5,5]C[5]H)(O){1|O<2>,2|C<3>,4|H<1>}	C[5,5](N[5,5]C[3,5]C[5])(C[5]C[3,5]O)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[3,5](C[3,5]N[5,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[5,5]O)(H){1|C<3>,1|C<4>,1|H<1>}	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.8866	0.234	5	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,5]	C[3,5]	4:4:1:	4:3:2:1:	4:4:3:1:	C[3,5]-4:C[5,5]-4:O-1:	C[3x5]-4:C[5]-3:O[5]-2:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]O[5]H)(O)	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]O)(O[5]C[5])(H)	C[3,5](C[3,5,5]C[3,5]C[3x5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5,5]O)(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]O[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[3x5]C[3,5,5]C[5,5]C)(C[5]C[3,5]O)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[3,5](C[3,5,5]C[3,5]C[3x5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5,5]O)(H){1|O<2>,2|H<1>,3|C<4>}	108.3965	0.255	2	108.3965	0.065	2	108.3965	0.065	2	108.3965	0.065	2	107.8866	0.234	5	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,5]	C[3,5]	4:4:1:	4:3:4:2:	4:3:2:4:	C[3,5]-4:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-4:N[5]-2:	C[3,5]-4:C[5]-3:O[3]-2:C-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(O)	C[5,5](C[5]C[3,5]HN)(C[5]C[3,5]O)(C[5]O[5]CH)(N[5]C[5])	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5,5]O)(O[3]C[3,5])(CHHO)	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5,5](C[5]C[3,5]HN)(C[5]C[3,5]O)(C[5]O[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5,5]O)(O[3]C[3,5])(CHHO){1|C<4>,1|H<1>,2|N<2>}	107.5380	0.062	2	107.5380	0.004	2	107.5380	0.004	2	107.5380	0.004	2	107.8866	0.234	5	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:1:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[3,5]-4:O-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:H-1:	C[3,5,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[3,5]C[3,5,5]C[3]H)(O)	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[3,5]O)(H)	C[3,5](C[3,5,5]C[5,5,6]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[3,5]C[3,5,5]C[3]H)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[3,5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[3,5]O)(H){2|C<3>,2|H<1>,4|C<4>}	C[3,5](C[3,5,5]C[5,5,6]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5,6]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:1:	4:3:4:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:C-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(C)	C[5,6](C[5,6]C[3,5]C[6]H)(C[5]C[3,5]C)(C[6]C[6]HH)(H)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]C[6a]H)(C[5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(C){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[3,5]C[6]H)(C[5]C[3,5]C)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]C[6a]H)(C[5]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	105.3670	0.000	1	105.3670	0.000	1	105.3670	0.000	1	106.9410	4.955	2	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:1:	4:3:4:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]HH)(H)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(O){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]HH)(H){2|C<4>,6|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	108.5150	0.000	1	108.5150	0.000	1	108.5150	0.000	1	106.9410	4.955	2	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:1:	4:3:4:4:	4:3:2:1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[3,5]-4:C[5]-3:O[3]-2:H-1:	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]O)(O[3]C[3,5])(H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]O)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	107.7675	0.108	2	107.7675	0.012	2	107.7675	0.012	2	107.7675	0.012	2	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:1:	4:3:4:4:	4:4:3:1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	109.2165	0.254	2	109.2607	0.038	3	109.2607	0.038	3	109.2607	0.038	3	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:1:	4:3:4:4:	4:4:3:1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,6|H<1>}	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	109.3490	0.000	1	109.2607	0.038	3	109.2607	0.038	3	109.2607	0.038	3	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:1:	4:3:4:4:	4:4:4:3:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[3,5]-4:C[3,5]-4:C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]2C[5])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C[3,5](C[3,5]C[3,5]C[5]H)2(C[5]C[5,6]HH)(C[5]C[5,6]O)	C[5](C[3,5]C[3,5]2C[5])(C[5,6]C[5,6]C[6]C)(O){4|C<4>,7|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	C[3,5](C[3,5]C[3,5]C[5]H)2(C[5]C[5,6]HH)(C[5]C[5,6]O){4|C<4>,5|H<1>}	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:1:	4:4:3:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HH)(C[5]C[3,5]O)(H)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]CC)(C[5]C[5,6]O)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(O){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HH)(C[5]C[3,5]O)(H){2|O<2>,3|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]CC)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:3:	4:3:4:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]C)(C[6]C[6]HH)(H)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	105.0550	0.000	1	105.0550	0.000	1	105.0550	0.000	1	105.0550	0.000	1	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:3:	4:4:3:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]2H)(CHH)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]O[5]H)(C[5]C[3,5]C)(H)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]2H)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]O[5]H)(C[5]C[3,5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	104.5180	0.000	1	104.5180	0.000	1	104.5180	0.000	1	105.1174	0.230	8	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:3:	4:4:3:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[3,5]C[4,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[3,5]C[4,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	105.2940	0.037	2	105.2940	0.001	2	105.2030	0.200	7	105.1174	0.230	8	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:3:	4:4:3:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	105.3150	0.000	1	105.3150	0.000	1	105.2030	0.200	7	105.1174	0.230	8	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:3:	4:4:3:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HH)(C[5]C[3,5]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	105.7600	0.000	1	105.7600	0.000	1	105.2030	0.200	7	105.1174	0.230	8	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:3:	4:4:3:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	105.5220	0.000	1	105.5220	0.000	1	105.2030	0.200	7	105.1174	0.230	8	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:3:	4:4:3:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[3,5,6]HO)(C[5]C[3,5]C)(H)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[3,5,6]HO)(C[5]C[3,5]C)(H){1|O<2>,3|C<4>,4|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	104.4300	0.000	1	104.4300	0.000	1	105.2030	0.200	7	105.1174	0.230	8	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5,6]	C[3,5]	4:4:3:	4:4:3:1:	4:4:3:1:	C[3,5]-4:C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[6]C[5,6]HO)(C[5]C[3,5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]C)(H){1|H<1>,3|C<4>}	104.8060	0.000	1	104.8060	0.000	1	105.2030	0.200	7	105.1174	0.230	8	106.8038	3.644	19	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5,6]	4:4:3:	3:2:1:1:	4:4:2:3:	C[3,5,6]-4:C[5]-4:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[3,6]-4:C[5,6]-4:O[3]-2:C[5]-3:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]O[5]HH)(CHH)	C[5](C[5]C[3,5,6]C)(O[5]C[5,6])(H)2	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]O[5]HH)(CHH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[3,5,6]C)(O[5]C[5,6])(H)2{2|C<4>,2|O<2>}	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C){1|O<2>,3|C<4>,3|H<1>}	105.1300	0.000	1	105.1300	0.000	1	105.1300	0.000	1	105.1300	0.000	1	105.1300	0.000	1	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	3:2:4:1:	4:4:3:1:	C[3,5]-4:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]CH)(O)	C[5](C[5]C[3,5]O)(O[5]C[3,5])(CC[6a]HH)(H)	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]CH)(O){1|C<3>,2|H<1>}	C[5](C[5]C[3,5]O)(O[5]C[3,5])(CC[6a]HH)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H){1|C<4>,1|H<1>}	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	3:3:1:1:	4:4:3:3:	C[3,5]-4:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[3]-4:C[3]-4:C[5]-3:C[5]-3:	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]O)(C[5]C[5]C)(H)2	C[3,5](C[3]C[3]HH)2(C[5]C[5]H)(C[5]C[5]O)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(O){1|C<3>,5|H<1>}	C[5](C[5]C[3,5]O)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[3,5](C[3]C[3]HH)2(C[5]C[5]H)(C[5]C[5]O){1|C<3>,2|H<1>}	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	3:3:4:1:	4:4:3:1:	C[3,5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[5]CH)(O)	C[5](C[5]C[3,5]O)(N[5]C[3,5]S)(CC[6a]HH)(H)	C[3,5](C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[5]CH)(O){1|C<3>,1|S<4>,2|H<1>}	C[5](C[5]C[3,5]O)(N[5]C[3,5]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]N[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|S<4>}	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	3:4:4:3:	C[3,5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[3]-4:C[3]-4:C[5]-3:	C[5](C[3,5]C[5,6]C[3]2)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3,5]O)(H)2	C[3,5](C[5,6]C[5,6]C[6])(C[3]C[3]HH)2(C[5]C[5]O)	C[5](C[3,5]C[5,6]C[3]2)(C[5]C[5,6]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3,5]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[3,5](C[5,6]C[5,6]C[6])(C[3]C[3]HH)2(C[5]C[5]O){3|C<4>,3|H<1>}	108.4890	0.000	1	108.4890	0.000	1	108.4890	0.000	1	108.4890	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:2:3:1:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:O[3]-2:C[5]-3:H-1:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(O){1|H<1>,2|C<3>}	C[5](C[5]C[3,5]C[6a]C)(C[5]C[3,5]O)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]C[5]O)(H){2|C<3>,2|H<1>}	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:3:3:1:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:N[3]-3:C[5]-3:H-1:	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|N<3>,2|H<1>}	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]O)(H){4|H<1>}	108.2210	0.000	1	108.2210	0.000	1	108.2210	0.000	1	108.2210	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:2:3:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[6]-4:O[3]-2:C[5]-3:	C[5](C[3,5]C[3,5]C[6]O[3])(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[6]C[6]2O)(O[3]C[3,5])(C[5]C[5]O)	C[5](C[3,5]C[3,5]C[6]O[3])(C[5]C[5]HH)(O){1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	C[3,5](C[3,5]C[5]O[3]H)(C[6]C[6]2O)(O[3]C[3,5])(C[5]C[5]O){4|C<4>,6|H<1>}	107.1900	0.000	1	107.1900	0.000	1	107.1900	0.000	1	107.1900	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:3:1:	C[3,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(O){2|H<1>,3|C<4>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]O)(H){1|C<4>,1|O<2>,4|H<1>}	109.3180	0.354	2	109.3180	0.125	2	109.3180	0.125	2	109.0405	0.172	4	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:3:1:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]2H)(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5]2H)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	109.0405	0.172	4	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:3:1:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(O){1|C<4>,4|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|H<1>,2|C<4>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(H){4|H<1>}	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	109.0405	0.172	4	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:3:3:	C[3,5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-3:C[6]-3:	C[5](C[3,5]C[3,5,6]C[3]C[6])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]O)(C[6]C[6]2)	C[5](C[3,5]C[3,5,6]C[3]C[6])(C[5]C[5,6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]O)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	108.7795	0.267	8	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:3:3:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2)	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	108.3950	0.000	2	108.3950	0.000	2	108.7150	0.272	7	108.7795	0.267	8	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:3:3:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	108.9985	0.047	2	108.8430	0.336	5	108.7150	0.272	7	108.7795	0.267	8	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:3:3:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	C[5](C[3,5]C[3,5]C[3]N[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	108.7393	0.795	3	108.8430	0.336	5	108.7150	0.272	7	108.7795	0.267	8	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:3:4:	C[3,5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:S-4:	C[5](C[3,5]C[3,5,6]C[3,6]S)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[5](C[3,5]C[3,5,6]C[3,6]S)(C[5]C[5,6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	108.0395	0.409	2	108.0395	0.168	2	108.0395	0.168	2	108.3458	0.516	11	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:3:4:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:S-4:	C[5](C[3,5]C[3,5,6]C[3,6]S)(C[5]C[5]HH)(O)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[5](C[3,5]C[3,5,6]C[3,6]S)(C[5]C[5]HH)(O){2|C<4>,3|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(H)2{1|S<4>,2|C<4>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){4|C<4>,6|H<1>}	108.9235	0.104	2	108.9235	0.011	2	108.9235	0.011	2	108.3458	0.516	11	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:3:4:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-3:P-4:	C[5](C[3,5]C[3,5]C[3]P)(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(PC[6a]2O)	C[5](C[3,5]C[3,5]C[3]P)(C[5]C[5]HH)(O){2|C<4>,3|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|P<4>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(PC[6a]2O){4|H<1>}	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	108.3458	0.516	11	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:3:4:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O){1|Br<1>,4|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|Br<1>,1|C<4>,1|S<4>}	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	107.6690	0.438	2	107.6690	0.192	2	107.9810	0.124	6	108.3458	0.516	11	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:3:4:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O){1|C<4>,4|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|S<4>,2|C<4>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	108.3450	0.000	1	108.3450	0.000	1	107.9810	0.124	6	108.3458	0.516	11	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:3:4:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O){2|C<4>,3|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	108.2620	0.000	1	108.2620	0.000	1	107.9810	0.124	6	108.3458	0.516	11	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:1:1:	4:4:3:4:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(O){5|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	107.9705	0.146	2	107.9705	0.021	2	107.9810	0.124	6	108.3458	0.516	11	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:3:1:	4:2:3:1:	C[3,5]-4:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C[5a]-3:H-1:	C[3,5,6]-4:O[3]-2:C[5]-3:H-1:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(O)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(C[5a]C[5a]2)(H)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(O){2|C<3>,3|C<4>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)(C[5a]C[5a]2)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]O)(H){1|C<3>,1|H<1>,5|C<4>}	106.3440	0.000	1	106.3440	0.000	1	106.3440	0.000	1	106.3440	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:3:1:	4:4:3:3:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-3:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]CH)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CCO)(H)	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[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]CH)(O){3|C<3>,4|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CCO)(H){1|C<3>,1|C<4>,1|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>}	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:4:1:	4:4:3:1:	C[3,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]CH)(O)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(CH3)(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]CH)(O){1|H<1>,4|C<4>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(CH3)(H){3|C<4>,3|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	109.5740	0.147	2	109.5740	0.022	2	109.5740	0.022	2	109.5714	0.264	5	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:4:1:	4:4:3:1:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[3,6]-4:C[3,5,6]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]CH)(O)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(CH3)(H)	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(CH3)(H){1|H<1>,2|C<4>}	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]O)(H){2|C<4>,3|C<3>,6|H<1>}	110.3250	0.000	1	110.3250	0.000	1	110.3250	0.000	1	109.5714	0.264	5	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:4:1:	4:4:3:1:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(O)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CH3)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[5]O)(H){2|C<3>,2|C<4>,2|H<1>}	109.1920	0.421	2	109.1920	0.178	2	109.1920	0.178	2	109.5714	0.264	5	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:4:3:	4:4:3:1:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[3,5]-4:C[3,6]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3,6]H)(C[5]C[5]CC)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CC[6a]HH)(COO)	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5]C[3,6]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CC[6a]HH)(COO){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	108.5000	0.000	1	108.5000	0.000	1	108.5000	0.000	1	108.5000	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:1:	4:3:4:4:	4:4:3:1:	C[3,5]-4:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(O)	C[5](C[5]C[3,5]HO)(C[5]C[3,5]O)(CH3)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(O){1|O<2>,4|H<1>}	C[5](C[5]C[3,5]HO)(C[5]C[3,5]O)(CH3)2{1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<2>,2|C<4>}	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:2:	4:3:1:1:	4:4:3:4:	C[3,5]-4:C[5]-4:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-3:S-4:	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(NO)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]N)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]S)(C[5]C[5]HH)(NO){1|C<4>,4|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(H)2{1|S<4>,2|C<4>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]N)(SC[6a]OO){4|H<1>}	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:3:	3:4:1:1:	4:5:3:1:	C[3,5]-4:C[5]-4:N[6]-3:	C[5]-3:C[5]-4:H-1:H-1:	B[3,5]-4:B[3]-5:C[5]-3:H-1:	C[5](C[3,5]B[3,5]B[3]H)(C[5]C[5]HH)(N[6]C[6]2)	C[5](C[5]C[3,5]N[6])(C[5]B[3,5]CH)(H)2	C[3,5](B[3,5]C[6a]B[3]C[5])(B[3]B[3,5]C[6a]2H)(C[5]C[5]N[6])(H)	C[5](C[3,5]B[3,5]B[3]H)(C[5]C[5]HH)(N[6]C[6]2){2|H<1>,3|C<3>,7|C<4>}	C[5](C[5]C[3,5]N[6])(C[5]B[3,5]CH)(H)2{1|B<5>,1|C<3>,1|H<1>,2|C<4>}	C[3,5](B[3,5]C[6a]B[3]C[5])(B[3]B[3,5]C[6a]2H)(C[5]C[5]N[6])(H){3|C<4>,3|H<1>,6|C<3>}	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:3:	4:3:1:1:	4:4:3:4:	C[3,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]C)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]C)(CH3)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]H){2|C<3>,3|H<1>}	C[5](C[5]C[3,5]CC)(C[5]C[3,5]C)(H)2{1|H<1>,2|C<4>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	108.2180	0.000	1	108.2180	0.000	1	108.2180	0.000	1	108.2180	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	5:SP2_SP3_SP3	C[5]	C[5]	C[3,5]	4:4:3:	4:3:4:1:	4:4:3:1:	C[3,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(CHH)	C[5](C[5]C[3,5]C[5]C)(C[5]C[3,5]C)(CC[5]HH)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(CHH){2|C<4>,3|H<1>}	C[5](C[5]C[3,5]C[5]C)(C[5]C[3,5]C)(CC[5]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]C)(H){1|H<1>,3|C<4>}	109.3130	0.000	1	109.3130	0.000	1	109.3130	0.000	1	109.3130	0.000	1	108.7004	0.780	43	108.0278	2.296	76
818	474	486	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[3,5,6,6]	4:4:3:	3:3:3:2:	4:4:3:2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O[3]-2:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(OH)	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(O[3]C[3,5,6,6])	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2){2|C<4>,3|O<2>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(OH){1|O<2>,4|C<3>,4|C<4>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	122.1370	0.000	1	122.1370	0.000	1	122.1370	0.000	1	122.1370	0.000	1	123.1350	0.882	3	116.3098	44.121	11
818	474	486	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[3,5,6,6]	4:4:3:	3:3:3:3:	4:3:3:2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O[3]-2:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6])	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){1|N<3>,2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6]){1|N<3>,2|C<4>,7|C<3>}	124.0020	0.000	1	124.0020	0.000	1	124.0020	0.000	1	123.6340	0.271	2	123.1350	0.882	3	116.3098	44.121	11
818	474	486	6:SP2_SP3_SP3	C[5,6,6]	C[5,6,6]	C[3,5,6,6]	4:4:3:	3:3:3:3:	4:3:3:2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:O[3]-2:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(N[6]C[6]2)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6])	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2N[6])(C[5,6,6]C[5,6,6]2){1|N<3>,4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(N[6]C[6]2){1|O<2>,4|C<4>,4|H<1>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]2O[3])(C[5,6,6]C[5,6,6]2)2(O[3]C[3,5,6,6]){1|N<3>,2|C<4>,7|C<3>}	123.2660	0.000	1	123.2660	0.000	1	123.2660	0.000	1	123.6340	0.271	2	123.1350	0.882	3	116.3098	44.121	11
818	474	486	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C[3,5,6]	4:4:1:	4:3:4:1:	4:3:4:4:	C[3,5,6]-4:C[5,5,6]-4:O-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C[3]-4:C[3]-4:	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]O)(C[5,6]C[5,6]HH)(H)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[3]C[6a]C[3]O)(C[3]C[3]HH)	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(O){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[3,5,6]O)(C[5,6]C[5,6]HH)(H){2|C<4>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[3]C[6a]C[3]O)(C[3]C[3]HH){1|C<4>,2|C<3>,5|H<1>}	104.8340	0.000	1	104.8340	0.000	1	104.8340	0.000	1	104.8340	0.000	1	104.8340	0.000	1	116.3098	44.121	11
818	474	486	6:SP2_SP3_SP3	C[5,6]	C[5,6,6]	C[3,5,6]	4:4:3:	4:3:3:1:	4:4:3:1:	C[3,5,6]-4:C[5,6,6]-4:C-3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-3:H-1:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2)	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2){3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C)(H){2|C<3>,3|H<1>}	104.4250	0.000	1	104.4250	0.000	1	104.4250	0.000	1	104.4250	0.000	1	104.4250	0.000	1	116.3098	44.121	11
818	474	486	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[3,5,6]	4:4:1:	4:3:4:1:	9:4:3:1:	C[3,5,6]-4:C[5,6]-4:O-1:	C[3,5,6]-4:C[5,6]-3:P-4:H-1:	I[8x3,5]-9:C[3,3,6]-4:C[5,6]-3:H-1:	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]HP)(O)	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]O)(PC3)(H)	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[5,6]O)(H)	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]HP)(O){1|C<3>,2|H<1>,5|C<4>}	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]O)(PC3)(H){1|H<1>,6|C<4>}	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[5,6]O)(H){1|P<4>,2|H<1>,5|C<4>}	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	115.6953	8.618	3	116.3098	44.121	11
818	474	486	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[3,5,6]	4:4:3:	3:4:2:1:	4:3:4:3:	C[3,5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	C[3,5,6]-4:C[5,6]-3:C[3]-4:C[5]-3:	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]H)	C[5,6](C[5,6]C[3,5,6]C[5])(C[6]C[6]HH)(O[5]C[5,5])(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5])(C[3]C[3,5,6]HH)(C[5]O[5]O)	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]H){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,5,6]C[5])(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5])(C[3]C[3,5,6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	117.3900	0.065	2	117.3900	0.004	2	117.3900	0.004	2	117.3900	0.004	2	115.6953	8.618	3	116.3098	44.121	11
818	474	486	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[3,6]	4:4:3:	3:4:2:2:	4:3:2:1:	C[3,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[3,6,6]-4:C[5,6]-3:O[3]-2:H-1:	C[5,6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a])	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5])(O[3]C[3,6,6])(H)	C[5,6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[6]O[5]O)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6,6]HO)(O[5]C[5])(OC[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5])(O[3]C[3,6,6])(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	117.3120	0.000	1	117.3120	0.000	1	117.3120	0.000	1	117.3120	0.000	1	117.8860	0.465	3	116.3098	44.121	11
818	474	486	6:SP2_SP3_SP3	C[5,6]	C[5,6]	C[3,6]	4:4:3:	3:4:3:1:	3:4:2:1:	C[3,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6]-3:C[3,6]-4:O[3]-2:H-1:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]N[5]H)(C[5]C[5]H)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[3,6](C[5,6]C[5,6]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]N[5]H)(C[5]C[5]H){1|C<4>,1|S<4>,5|H<1>}	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,2|O<2>,5|H<1>}	C[3,6](C[5,6]C[5,6]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	118.1730	0.660	2	118.1730	0.436	2	118.1730	0.436	2	118.1730	0.436	2	117.8860	0.465	3	116.3098	44.121	11
818	474	490	0:SP2_SP3_SP3	C[5,5]	C[5,5,6]	C	4:4:4:	3:3:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,5]-3:H-1:H-1:H-1:	C[5,5](C[5,5,6]C[5,6]2C)2(CH3)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3)	C(C[5,5]C[5,5,6]2)(H)3	C[5,5](C[5,5,6]C[5,6]2C)2(CH3){2|C<4>,2|N<3>}	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3){1|N<3>,2|C<4>}	C(C[5,5]C[5,5,6]2)(H)3	128.8210	1.018	4	128.8210	1.036	4	128.8210	1.036	4	128.8210	1.036	4	128.8210	1.036	4	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[3x5,6,6]	C	4:3:4:	4:4:3:1:	3:4:4:4:	C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6,6]-4:C[4,3x5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C-4:C-4:C-4:	C[5,6](C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[5,6]C[4,5,5,6]C)(CC3)	C[3x5,6,6](C[3x5,6,6]C[4,3x5,6]C[5,6]H)(C[4,3x5,6]C[4,5,5,6]2C)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[3x5,6,6]C[5,6])(CH3)3	C[5,6](C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[5,6]C[4,5,5,6]C)(CC3){1|C<3>,2|H<1>,3|C<4>}	C[3x5,6,6](C[3x5,6,6]C[4,3x5,6]C[5,6]H)(C[4,3x5,6]C[4,5,5,6]2C)(C[5,6]C[5,6]C)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[3x5,6,6]C[5,6])(CH3)3	117.9260	1.556	2	117.9260	2.420	2	117.9260	2.420	2	117.9260	2.420	2	117.9260	2.420	2	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[3x5,6]	C	4:3:4:	3:4:3:4:	3:1:1:1:	C[3x5,6]-4:C[5,6]-3:C-4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|I<1>,5|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	123.6820	0.000	1	122.3900	1.298	3	122.3900	1.298	3	122.3900	1.298	3	121.5746	1.644	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[3x5,6]	C	4:3:4:	3:4:3:4:	3:1:1:1:	C[3x5,6]-4:C[5,6]-3:C-4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|Cl<1>,1|C<3>,5|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	121.5300	0.000	1	122.3900	1.298	3	122.3900	1.298	3	122.3900	1.298	3	121.5746	1.644	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[3x5,6]	C	4:3:4:	3:4:3:4:	3:1:1:1:	C[3x5,6]-4:C[5,6]-3:C-4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|Ga<4>,1|C<3>,5|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	121.9580	0.000	1	122.3900	1.298	3	122.3900	1.298	3	122.3900	1.298	3	121.5746	1.644	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[3x5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:P[3x5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]C[5,6]S)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|S<1>,2|H<1>,3|C<4>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]C[5,6]S)(C[5,6]C[5,6]C)(H){1|C<4>,7|H<1>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	120.5460	0.000	1	120.5460	0.000	1	120.6485	0.021	2	120.6485	0.021	2	121.5746	1.644	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[3x5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:P[3x5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]O[5,6]S)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[5,5,6,6]P[3x5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|O<2>,1|S<1>,2|C<4>,2|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(P[3x5,6]C[5,5,6,6]O[5,6]S)(C[5,6]C[5,6]C)(H){1|C<4>,5|H<1>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	120.7510	0.000	1	120.7510	0.000	1	120.6485	0.021	2	120.6485	0.021	2	121.5746	1.644	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[3x5,6]	C	4:3:4:	4:4:3:3:	3:1:1:1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-3:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(COO)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|H<1>,1|P<3>,1|P<4>,3|C<4>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(COO){1|Mo<6>,4|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	122.6520	0.000	1	122.6520	0.000	1	122.6520	0.000	1	122.6520	0.000	1	121.5746	1.644	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[3x5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|C<3>,1|H<1>,1|P<3>,1|P<4>,2|C<4>}	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(CH3){1|Mo<6>,1|C<3>,3|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	122.4630	0.000	1	122.4630	0.000	1	122.4630	0.000	1	121.0173	2.366	3	121.5746	1.644	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[3x5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[4,3x5]-4:C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[3x5,6]C[4,3x5]C[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3)	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(C[5,5,6]C[4,5,5,6]CH)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[4,3x5]C[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(C[5,5,6]C[4,5,5,6]CH)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<2>,1|W<6>,2|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	121.1880	0.000	1	121.1880	0.000	1	121.1880	0.000	1	121.0173	2.366	3	121.5746	1.644	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[3x5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[4,3x5]-4:P[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[3x5,6]C[4,3x5]P[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3)	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(P[5,5,6]P[4,5,5,6]HW)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[3x5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[4,3x5]P[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3){1|H<1>,1|P<3>,1|P<4>,1|W<6>,2|C<4>}	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(P[5,5,6]P[4,5,5,6]HW)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|W<6>,2|C<4>}	C(C[5,6]C[3x5,6]C[5,6])(H)3	119.4010	0.000	1	119.4010	0.000	1	119.4010	0.000	1	121.0173	2.366	3	121.5746	1.644	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,3x6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5,3x6]-4:C[5,6]-3:C-4:	P[4,5,3x6]-4:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Cl)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|Cl<1>,1|P<3>,4|C<4>}	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Cl)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3){2|C<3>,5|C<4>}	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	121.1310	0.000	1	121.1310	0.000	1	121.1787	0.439	3	121.1787	0.439	3	121.1787	0.439	3	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,3x6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5,3x6]-4:C[5,6]-3:C-4:	P[4,5,3x6]-4:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Ga)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|Ga<4>,1|P<3>,4|C<4>}	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Ga)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3){2|C<3>,5|C<4>}	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	121.8640	0.000	1	121.8640	0.000	1	121.1787	0.439	3	121.1787	0.439	3	121.1787	0.439	3	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,3x6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5,3x6]-4:C[5,6]-3:C-4:	P[4,5,3x6]-4:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]I)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|I<1>,1|P<3>,4|C<4>}	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]I)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3){2|C<3>,5|C<4>}	C(C[5,6]C[5,5,3x6]C[5,6])(H)3	120.5410	0.000	1	120.5410	0.000	1	121.1787	0.439	3	121.1787	0.439	3	121.1787	0.439	3	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C	4:3:4:	4:2:3:4:	3:1:1:1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6]-3:F-1:F-1:F-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C(C[5,6]C[5,5,6,6]C[5,6])(F)3	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|N<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	C(C[5,6]C[5,5,6,6]C[5,6])(F)3	124.3390	0.000	1	124.7927	1.644	3	124.4522	1.560	4	124.4522	1.560	4	122.7710	3.863	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C	4:3:4:	4:2:3:4:	3:1:1:1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6]-3:F-1:F-1:F-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH)	C(C[5,6]C[5,5,6,6]C[5,6])(F)3	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|N<3>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]N[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,5,6,6]C[5,6])(F)3	125.0195	1.726	2	124.7927	1.644	3	124.4522	1.560	4	124.4522	1.560	4	122.7710	3.863	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C	4:3:4:	4:2:3:4:	3:1:1:1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,3x6]-4:O[5,5]-2:C[5,6]-3:C[6]-4:	C[5,6]-3:F-1:F-1:F-1:	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]S[6]HH)	C(C[5,6]C[5,5,6,6]C[5,6])(F)3	C[5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,6]C[5,5,6]C)(CF3){1|S<2>,2|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6]S[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]C[5,5,6,6]C[5,6])(F)3	123.4310	0.000	1	123.4310	0.000	1	124.4522	1.560	4	124.4522	1.560	4	122.7710	3.863	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,3x6]-4:P[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6,6]C[5,3x6]P[5,5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(P[5,5,6]C[5,5,6]C[6]W)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,3x6]P[5,5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|W<6>,2|C<3>,2|C<4>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(P[5,5,6]C[5,5,6]C[6]W)(C[5,6]C[5,6]C)(H){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	120.5723	0.162	3	122.7710	3.863	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	P[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3)	C[5,5,6,6](P[3x5,6]C[3x5,6]C[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3){1|S<1>,2|C<4>,3|H<1>}	C[5,5,6,6](P[3x5,6]C[3x5,6]C[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H){2|C<4>,4|H<1>}	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	120.1300	0.000	1	120.1300	0.000	1	120.3990	0.145	2	120.5723	0.162	3	122.7710	3.863	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	P[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3)	C[5,5,6,6](P[3x5,6]C[3x5,6]O[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,6,6]P[3x5,6]H)(C[5,6]C[3x5,6]C)(CH3){1|C<4>,1|O<2>,1|S<1>,3|H<1>}	C[5,5,6,6](P[3x5,6]C[3x5,6]O[5,6]S)(C[5,6,6]C[5,5,6,6]HH)(C[5,6]C[5,6]C)(H){2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	120.6680	0.000	1	120.6680	0.000	1	120.3990	0.145	2	120.5723	0.162	3	122.7710	3.863	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|P<4>,4|C<4>}	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3){1|N<3>,1|W<6>,2|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	122.4990	0.000	1	122.4990	0.000	1	122.7065	0.086	2	122.7065	0.086	2	122.7710	3.863	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|H<1>,1|P<4>,4|C<4>}	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,1|W<6>,2|C<3>,2|C<4>}	C(C[5,6]C[5,5,6,6]C[5,6])(H)3	122.9140	0.000	1	122.9140	0.000	1	122.7065	0.086	2	122.7065	0.086	2	122.7710	3.863	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	3:4:4:	2:3:4:1:	3:1:1:1:	C[5,6,6]-3:C[5,5,6]-4:C-4:	O[5,5]-2:C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(CH3)	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]HH)(H)	C(C[5,6]C[5,5,6]C[5,6,6])(H)3	C[5,6](C[5,6,6]C[5,5,6,6]C[6])(C[5,5,6]C[5,6]O[5,5]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[5,5,6](O[5,5]C[5,5,6,6])(C[5,6]C[5,6,6]C)(C[5,6]C[5,6]HH)(H){1|C<3>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6,6])(H)3	122.1890	0.000	1	122.1890	0.000	1	122.1890	0.000	1	122.1890	0.000	1	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:2:4:	4:2:3:3:	3:3:1:1:	C[5,5,6]-4:N[5,6]-2:C-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:N[6]-3:	C[5,6]-3:C[6a]-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]N[6])(N[5,6]C[5,5,6,6])(CC[6a]HH)	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2)	C(C[5,6]C[5,5,6]N[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]N[6])(N[5,6]C[5,5,6,6])(CC[6a]HH){1|C<3>,1|H<1>,4|C<4>}	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]N[5,6])(C[6a]C[6a]2)(H)2	124.8280	0.000	1	124.8280	0.000	1	124.8280	0.000	1	124.8280	0.000	1	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	3:2:3:3:	3:4:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,6]-3:C-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]S)(CCHH)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]S)(CCHH){5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,5|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	124.2550	0.000	1	124.2550	0.000	1	124.2550	0.000	1	124.2550	0.000	1	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	3:2:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|H<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO){2|C<3>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	123.9440	0.000	1	123.9440	0.000	1	123.9440	0.000	1	123.9440	0.000	1	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3){1|N<3>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	121.4445	1.301	4	121.4445	1.693	4	121.4445	1.693	4	121.4445	1.693	4	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	3:3:3:4:	3:4:4:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,6]-3:C-4:C-4:C-4:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]H)(CC3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3)	C(C[5,6]C[5,5,6]C[5,6])(CH3)3	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]H)(CC3){1|C<4>,1|O<1>,2|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(CH3)3	130.4100	0.000	1	130.4100	0.000	1	130.4100	0.000	1	130.4100	0.000	1	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(CH3)	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N)(CH3){1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|N<3>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	124.0455	0.616	2	124.0455	0.379	2	124.0455	0.379	2	123.1993	2.338	3	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<2>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	121.5070	0.000	1	121.5070	0.000	1	121.5070	0.000	1	123.1993	2.338	3	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	3:4:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Pd<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Pd<4>,4|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.4725	1.150	2	120.1967	0.363	6	120.1967	0.363	6	120.1967	0.363	6	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	3:4:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Rh<6>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Rh<6>,4|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	119.8440	0.066	2	120.1967	0.363	6	120.1967	0.363	6	120.1967	0.363	6	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	3:4:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<4>,3|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.2735	0.275	2	120.1967	0.363	6	120.1967	0.363	6	120.1967	0.363	6	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:2:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-3:F-1:F-1:F-1:	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(F)3	C[5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6]C[5,5,6,6]C)(CF3){1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]H)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(F)3	123.0495	0.428	4	123.0495	0.183	4	123.0495	0.183	4	122.8506	0.413	7	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:2:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CH3){4|C<4>}	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	122.0875	0.264	2	122.0875	0.070	2	122.5853	0.778	3	122.8506	0.413	7	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:2:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CH3)	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CH3){1|C<4>,1|H<1>,2|F<1>}	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	123.5810	0.000	1	123.5810	0.000	1	122.5853	0.778	3	122.8506	0.413	7	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:2:3:1:	3:4:4:4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CC[5]CC)	C[5,5,6](C[5,6]C[5,6]C[6a]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(CC[5]CC){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){3|C<3>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	121.5350	0.000	1	121.5350	0.000	1	121.5350	0.000	1	121.5350	0.000	1	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:2:3:3:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,6]-3:F-1:F-1:F-1:	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CF3)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C(C[5,6]C[5,5,6]C[5,6])(F)3	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CF3){1|C<3>,1|O<2>,2|C<4>}	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(F)3	127.9600	1.287	2	127.9600	1.656	2	127.9600	1.656	2	127.9600	1.656	2	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:2:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	124.0565	0.344	2	124.0565	0.119	2	124.0565	0.119	2	124.0565	0.119	2	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:3:2:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-3:O[5,6]-2:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(O[5,6]N[5,6])(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|N<3>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(O[5,6]N[5,6])(CH3){1|C<3>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	123.1970	0.962	2	123.1970	0.925	2	123.1970	0.925	2	123.1970	0.925	2	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	122.9950	0.000	1	122.9950	0.000	1	122.9950	0.000	1	122.4657	3.710	4	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-3:C[5,6]-3:Cl-1:	C[5,6]-3:Cl-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH)	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(C[5,6]C[5,6]C)(Cl)	C(C[5,6]C[5,5,6]C[5,6])(Cl)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]C)(CClHH){4|Cl<1>,1|C<3>}	C[5,5,6](C[5,5]C[5,5,6]Cl2)(C[5,6]C[5,6]Cl)(C[5,6]C[5,6]C)(Cl){2|Cl<1>,1|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(Cl)(H)2	123.6205	0.353	2	123.6205	0.125	2	123.6205	0.125	2	122.4657	3.710	4	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5,6]-4:C[5,6,6]-3:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6,6]P[5,5,6]H)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,5,6](P[5,5,6]C[5,5,6,6]C[6]W)(C[5,6,6]C[5,3x6]C[6])(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6]P[5,5,6]H)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	C[5,5,6](P[5,5,6]C[5,5,6,6]C[6]W)(C[5,6,6]C[5,3x6]C[6])(C[5,6]C[5,6]C)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	119.6270	0.000	1	119.6270	0.000	1	119.6270	0.000	1	122.4657	3.710	4	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:3:3:1:	3:3:3:2:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:O-2:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(CC[6a]2O){1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(OH)	122.3750	0.000	1	122.3750	0.000	1	122.3750	0.000	1	122.3750	0.000	1	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:3:3:1:	3:4:4:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:H-1:	C[5,6]-3:C-4:C-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|C<3>,1|O<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(H){3|C<3>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	121.3210	0.000	1	121.3210	0.000	1	121.3210	0.000	1	121.3210	0.000	1	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[3x5,6,6]-4:B[5,5]-3:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[3x5,6,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[3x5,6,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CH3){2|C<3>,3|C<4>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	122.7805	0.555	2	122.7805	0.308	2	122.7805	0.308	2	122.8662	0.523	5	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:As[5,6]-3:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]As[5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CH)(As[5,6]P[5,6]P)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,2|C<4>,2|P<4>}	C[5,5,6](C[5,5]C[5,5,6]CH)(As[5,6]P[5,6]P)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|W<6>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	121.8590	0.000	1	121.8590	0.000	1	121.8590	0.000	1	122.8662	0.523	5	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(N[5,6]O[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(N[5,6]O[5,6]C)(CH3){2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	123.4555	0.243	2	123.4555	0.059	2	123.4555	0.059	2	122.8662	0.523	5	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:3:3:4:	3:3:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,6]-3:C-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH)	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	121.7620	0.000	1	121.7620	0.000	1	121.7620	0.000	1	121.7620	0.000	1	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:3:3:4:	3:4:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:B[5,5]-3:C[5,6]-3:C-4:	C[5,6]-3:C-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]B[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH)	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|B<3>,1|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]B[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH){3|C<4>,5|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	125.0410	0.000	1	125.0410	0.000	1	124.6140	0.365	2	124.0843	1.024	3	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:3:3:4:	3:4:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:B[5,5]-3:C[5,6]-3:C-4:	C[5,6]-3:C-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH)	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH){1|B<3>,3|C<3>,4|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	124.1870	0.000	1	124.1870	0.000	1	124.6140	0.365	2	124.0843	1.024	3	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:3:3:4:	3:4:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,6]-3:C-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(CCHH)	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH)	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(CCHH){1|Si<4>,1|C<4>,1|O<1>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH){1|C<3>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	123.0250	0.000	1	123.0250	0.000	1	123.0250	0.000	1	124.0843	1.024	3	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	119.7165	1.445	2	119.7165	2.087	2	119.9432	0.867	16	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]C[6a]H)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	121.4540	0.000	1	121.4540	0.000	1	119.9432	0.867	16	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	119.7215	0.191	4	119.7215	0.037	4	119.9432	0.867	16	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	119.1612	0.828	4	119.6534	0.756	7	119.9432	0.867	16	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.0270	0.000	1	119.6534	0.756	7	119.9432	0.867	16	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.4510	0.313	2	119.6534	0.756	7	119.9432	0.867	16	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	121.7010	0.000	1	121.7010	0.000	1	119.9432	0.867	16	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	As[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](As[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.0440	0.000	1	120.0440	0.000	1	119.9432	0.867	16	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	123.6800	0.232	2	123.6800	0.054	2	122.6293	0.699	6	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	122.3870	0.000	1	122.3870	0.000	1	122.6293	0.699	6	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	122.0097	0.111	3	122.0097	0.012	3	122.6293	0.699	6	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|S<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.8500	0.000	1	120.8500	0.000	1	120.4723	0.305	18	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.8380	0.000	1	120.8380	0.000	1	120.4723	0.305	18	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.7080	0.000	1	120.6480	0.585	5	120.4723	0.305	18	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	119.9800	0.153	2	120.6480	0.585	5	120.4723	0.305	18	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|S<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]CS)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	121.2860	0.779	2	120.6480	0.585	5	120.4723	0.305	18	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.1960	0.382	2	120.1960	0.146	2	120.4723	0.305	18	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.8540	0.000	1	120.8320	0.001	2	120.4723	0.305	18	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5]C[5,5,6]C[6a]S)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.8100	0.000	1	120.8320	0.001	2	120.4723	0.305	18	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.6015	0.646	2	120.3810	0.354	3	120.4723	0.305	18	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]P)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	119.9400	0.000	1	120.3810	0.354	3	120.4723	0.305	18	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.0670	0.000	1	120.2587	0.108	3	120.4723	0.305	18	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|H<1>,1|P<4>,2|C<3>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.3545	0.402	2	120.2587	0.108	3	120.4723	0.305	18	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:P[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]C)(H){1|H<1>,2|C<4>,5|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	119.5990	0.000	1	119.5990	0.000	1	120.4723	0.305	18	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	121.9910	0.000	1	121.9910	0.000	1	122.3737	0.131	3	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3){1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	122.5650	0.204	2	122.5650	0.041	2	122.3737	0.131	3	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	119.7140	0.000	1	120.6170	0.572	6	120.0620	0.874	26	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.7976	0.686	5	120.6170	0.572	6	120.0620	0.874	26	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	118.9630	0.000	1	120.3138	0.987	6	120.0620	0.874	26	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.5840	0.828	5	120.3138	0.987	6	120.0620	0.874	26	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	118.9030	0.000	1	119.6220	1.034	2	120.0620	0.874	26	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pd)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.3410	0.000	1	119.6220	1.034	2	120.0620	0.874	26	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	119.8534	1.132	5	119.8534	1.281	5	120.0620	0.874	26	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Pt)(C[5,6]C[5,6]HS)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	119.3990	0.695	5	119.3990	0.483	5	120.0620	0.874	26	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Ru<8>,1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.9180	0.000	1	120.9180	0.000	1	120.0620	0.874	26	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	P[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]C)(CH3){1|Ru<8>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,5,6](P[5,5]C[5,5,6]C[6a]Ru)(C[5,6]C[5,6]HP)(C[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	119.6020	0.000	1	119.6020	0.000	1	120.0620	0.874	26	120.4652	1.344	69	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:4:4:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:C-4:C-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	122.4260	0.000	1	122.4260	0.000	1	121.0135	3.990	2	119.1789	3.593	7	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:4:4:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:C-4:C-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(CCCH){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	119.6010	0.000	1	119.6010	0.000	1	121.0135	3.990	2	119.1789	3.593	7	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:4:4:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C-4:C-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CCCH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CCCH){2|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(H){1|C<3>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	118.4450	1.427	5	118.4450	2.036	5	118.4450	2.036	5	119.1789	3.593	7	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:4:4:3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:S[5,5]-4:C[5,6]-3:H-1:	C[5,6]-3:C-4:C-4:C-3:	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(CC3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(CH3)2(CCO)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]H)(C[5,6]C[5,5,6]H)(CC3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]C)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(CH3)2(CCO)	117.9100	0.000	1	117.9100	0.000	1	117.9100	0.000	1	117.9100	0.000	1	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]C)(CCHH)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]C)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	126.5905	0.172	2	126.5905	0.030	2	124.5090	13.013	3	122.8654	1.955	22	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|C<4>,1|N<2>,1|S<1>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.3460	0.000	1	120.3460	0.000	1	124.5090	13.013	3	122.8654	1.955	22	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	122.7260	0.324	8	122.7260	0.105	8	122.6023	0.332	18	122.8654	1.955	22	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|N<3>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]C)(CH3){2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	122.7908	0.324	8	122.7908	0.105	8	122.6023	0.332	18	122.8654	1.955	22	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	120.7820	0.000	1	120.7820	0.000	1	122.6023	0.332	18	122.8654	1.955	22	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]H)(CH3)	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]H)(CH3){1|S<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3){1|C<4>,1|S<1>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	121.9260	0.000	1	121.9260	0.000	1	122.6023	0.332	18	122.8654	1.955	22	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:P[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]P[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CH)(P[5,6]As[5,6]HW)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]P[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|As<3>,1|W<6>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(P[5,6]As[5,6]HW)(C[5,6]C[5,6]C)(CH3){1|P<4>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	122.8654	1.955	22	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:3:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:C-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	122.4480	0.000	1	122.4480	0.000	1	122.9460	0.496	2	122.9460	0.496	2	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:3:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:C-3:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(CCC)(H)2	123.4440	0.000	1	123.4440	0.000	1	122.9460	0.496	2	122.9460	0.496	2	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:4:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:C-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	C(C[5,6]C[5,5,6]C[5,6])(CCCH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(CCCH)(H)2	127.0570	0.000	1	127.0570	0.000	1	127.0570	0.000	1	124.0538	8.508	13	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:4:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	126.8220	0.000	1	126.8220	0.000	1	123.3529	10.404	8	124.0538	8.508	13	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:4:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	121.0363	1.441	3	121.0363	2.078	3	123.3529	10.404	8	124.0538	8.508	13	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:4:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	121.2485	1.401	2	121.2485	1.962	2	123.3529	10.404	8	124.0538	8.508	13	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:4:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	127.4780	0.000	1	127.4780	0.000	1	123.3529	10.404	8	124.0538	8.508	13	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:4:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	126.9170	0.000	1	126.9170	0.000	1	123.3529	10.404	8	124.0538	8.508	13	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:4:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	121.4140	0.000	1	121.4140	0.000	1	124.7050	4.876	4	124.0538	8.508	13	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:4:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|H<1>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	125.8020	0.306	3	125.8020	0.093	3	124.7050	4.876	4	124.0538	8.508	13	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:4:2:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|H<1>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	126.0000	0.000	1	126.0000	0.000	1	126.0000	0.000	1	126.0000	0.000	1	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5,6]	C[5,5,6]	C	4:3:4:	4:4:4:3:	3:1:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5]-4:C[5,6]-3:	C[5,6]-3:H-1:H-1:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]H)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5,6]C[5,6]C)	C(C[5,6]C[5,5,6]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5,6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5,6]C[5,6]C){2|C<3>,4|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(H)3	123.6420	0.000	1	123.6420	0.000	1	123.6420	0.000	1	123.6420	0.000	1	121.7886	5.104	163	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[3x5]	C	4:2:4:	3:4:4:3:	3:4:4:4:	C[3x5]-4:N[5]-2:C-4:	C[5,6a]-3:C[3x5]-4:C[5]-4:C[5]-3:	C[5]-3:C-4:C-4:C-4:	C[5](C[3x5]C[5,6a]C[3x5]C[5])(N[5]O[5])(CC3)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5]O[5]2)(C[5]C[5]HH)(C[5]N[5]C)	C(C[5]C[3x5]N[5])(CH3)3	C[5](C[3x5]C[5,6a]C[3x5]C[5])(N[5]O[5])(CC3){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5]O[5]2)(C[5]C[5]HH)(C[5]N[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[3x5]N[5])(CH3)3	127.1710	0.000	2	127.1710	0.000	2	127.1710	0.000	2	127.1710	0.000	2	125.3923	9.491	3	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[3x5]	C	4:3:4:	4:4:3:2:	3:1:1:1:	C[3x5]-4:C[5]-3:C-4:	C[5,6,6]-4:C[3x5]-4:C[5]-3:O[5]-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[3x5]C[5,6,6]C[3x5]O[5])(C[5]C[5]C)(CH3)	C[3x5](C[5,6,6]C[5,6,6]C[6]O[6])(C[3x5]C[5,6]C[5]O[5])(C[5]C[5]C)(O[5]B[5])	C(C[5]C[3x5]C[5])(H)3	C[5](C[3x5]C[5,6,6]C[3x5]O[5])(C[5]C[5]C)(CH3){1|B<3>,1|H<1>,3|C<4>,3|O<2>}	C[3x5](C[5,6,6]C[5,6,6]C[6]O[6])(C[3x5]C[5,6]C[5]O[5])(C[5]C[5]C)(O[5]B[5]){2|C<3>,2|H<1>,3|O<2>,5|C<4>}	C(C[5]C[3x5]C[5])(H)3	121.8350	0.000	1	121.8350	0.000	1	121.8350	0.000	1	121.8350	0.000	1	125.3923	9.491	3	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,3x6]	C	4:3:4:	4:4:3:3:	3:1:1:1:	C[5,3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C)	C(C[5]C[5,3x6]C[5])(H)3	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C){1|C<4>,2|O<1>,4|H<1>}	C(C[5]C[5,3x6]C[5])(H)3	122.9500	0.000	1	122.9500	0.000	1	122.9500	0.000	1	122.9500	0.000	1	122.2138	0.306	4	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,3x6]	C	4:3:4:	4:4:3:3:	3:2:1:1:	C[5,3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-3:	C[5]-3:C-2:H-1:H-1:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CCHH)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C)	C(C[5]C[5,3x6]C[5])(CC)(H)2	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C){1|C<4>,2|O<1>,4|H<1>}	C(C[5]C[5,3x6]C[5])(CC)(H)2	121.6090	0.000	1	121.6090	0.000	1	121.6090	0.000	1	121.6090	0.000	1	122.2138	0.306	4	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,3x6]	C	4:3:4:	4:4:4:3:	3:1:1:1:	C[5,3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C)	C(C[5]C[5,3x6]C[5])(H)3	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C(C[5]C[5,3x6]C[5])(H)3	122.1480	0.023	2	122.1480	0.001	2	122.1480	0.001	2	122.1480	0.001	2	122.2138	0.306	4	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6,6]	C	4:3:4:	4:3:3:3:	3:1:1:1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5,3x6]-4:C[6,6]-3:N[5,5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]H)(CH3)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5,5]C[5]2)(C[5]C[5]C)	C(C[5]C[5,5,6,6]C[5])(H)3	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C(C[5]C[5,5,6,6]C[5])(H)3	121.3000	0.000	1	121.3000	0.000	1	121.3000	0.000	1	121.3000	0.000	1	121.8675	0.298	4	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3)	C(C[5]C[5,5,6,6]C[5])(H)3	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,4|C<4>}	C(C[5]C[5,5,6,6]C[5])(H)3	122.0567	0.482	3	122.0567	0.232	3	122.0567	0.232	3	122.0567	0.232	3	121.8675	0.298	4	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:2:4:	3:4:3:3:	3:4:4:3:	C[5,5,6]-4:N[5]-2:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5]-3:N[5]-3:	C[5]-3:C-4:C-4:C-3:	C[5](C[5,5,6]C[5,6,6a]C[5,6,6]N[5])(N[5]C[5,6a])(CC3)	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]C)(N[5]C[5]H)	C(C[5]C[5,5,6]N[5])(CH3)2(CCH)	C[5](C[5,5,6]C[5,6,6a]C[5,6,6]N[5])(N[5]C[5,6a])(CC3){2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C(C[5]C[5,5,6]N[5])(CH3)2(CCH)	124.9790	0.000	1	124.9790	0.000	1	124.9790	0.000	1	124.9790	0.000	1	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:2:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:N[5]-2:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H)	C(C[5]C[5,5,6]N[5])(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CH3){1|N<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H){1|C<3>,1|O<2>,3|H<1>}	C(C[5]C[5,5,6]N[5])(H)3	124.0720	0.000	1	124.0720	0.000	1	123.9240	0.044	2	123.9240	0.044	2	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:2:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:N[5]-2:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CH3)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]N[5]C)(H)	C(C[5]C[5,5,6]N[5])(H)3	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]O[5]H)(C[5]N[5]C)(H){1|C<4>,2|C<3>}	C(C[5]C[5,5,6]N[5])(H)3	123.7760	0.000	1	123.7760	0.000	1	123.9240	0.044	2	123.9240	0.044	2	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:2:4:	4:4:3:1:	3:4:2:1:	C[5,5,6]-4:N[5]-2:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:O-2:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CC[5]HO)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H)	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]O[5])(CC[5]HO){1|N<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]N[5,6]H)(C[5]N[5]C)(H){2|C<3>,3|H<1>}	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	122.6900	0.000	1	122.6900	0.000	1	122.6900	0.000	1	122.6900	0.000	1	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CH3)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]C)(H)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CH3){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]C)(H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C(C[5]C[5,5,6]C[5])(H)3	123.7010	0.000	1	123.7010	0.000	1	122.4935	0.955	4	121.0854	3.269	10	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5])(H)3	121.4040	0.000	1	122.0910	0.461	3	122.4935	0.955	4	121.0854	3.269	10	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3){1|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]C)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[5]C[5,5,6]C[5])(H)3	122.4345	0.462	2	122.0910	0.461	3	122.4935	0.955	4	121.0854	3.269	10	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]H)(CH3)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]O)(C[5]C[5]C)(H)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5,6]C[5]C[6]O)(C[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5])(H)3	123.4260	0.000	1	123.4260	0.000	1	121.6170	6.545	2	121.0854	3.269	10	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]Si)(CH3)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]O)(C[5]C[5]C)(H)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]Si)(CH3){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[6]O[5]O)(C[5]C[5]C)(H){1|Si<4>,1|C<3>,1|O<2>,6|H<1>}	C(C[5]C[5,5,6]C[5])(H)3	119.8080	0.000	1	119.8080	0.000	1	121.6170	6.545	2	121.0854	3.269	10	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5]-3:C-4:	P[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]P[3x5,6]H)(C[5]C[5,5,6]C)(CH3)	C[5,5,6](P[3x5,6]C[5,5,6]S[5,5]W)(C[5,5,6]P[3x5,6]C[5]H)(C[5]C[5]C)(H)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]P[3x5,6]H)(C[5]C[5,5,6]C)(CH3){1|C<3>,1|C<4>,1|P<4>,1|S<2>,1|W<6>,2|H<1>}	C[5,5,6](P[3x5,6]C[5,5,6]S[5,5]W)(C[5,5,6]P[3x5,6]C[5]H)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|W<6>,3|C<4>}	C(C[5]C[5,5,6]C[5])(H)3	119.4115	0.317	4	119.4115	0.101	4	119.4115	0.101	4	121.0854	3.269	10	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:4:4:3:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C-4:C-4:C-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]H)(CC3)	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]C[5]C)(H)	C(C[5]C[5,5,6]C[5])(CH3)2(CCO)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]S[5]H)(CC3){1|C<3>,1|C<4>,1|S<4>,2|H<1>,2|O<1>}	C[5,5,6](C[5,5,6]C[5,5,6]S[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,4|O<1>}	C(C[5]C[5,5,6]C[5])(CH3)2(CCO)	119.3900	0.000	1	119.3900	0.000	1	119.3900	0.000	1	119.3900	0.000	1	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:3:4:	4:4:3:2:	3:1:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2O)(C[5]C[5]H)(CH3){1|O<1>,2|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,5|H<1>}	C(C[5]C[5,5,6]C[5])(H)3	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]P[5]H)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]C)(CH3)	C(C[5]C[5,5,6]C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2C)(C[5]P[5]H)(CH3){1|Pt<4>,1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]C)(CH3){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,5,6]C[5])(H)3	118.8960	0.000	1	118.8960	0.000	1	118.8960	0.000	1	118.8960	0.000	1	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:3:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH)	C(C[5]C[5,5,6]C[5])(CCC)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5,6]C[5])(CCC)(H)2	120.9760	0.895	2	120.9613	0.401	3	120.9613	0.401	3	120.9613	0.401	3	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:3:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C-3:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH)	C(C[5]C[5,5,6]C[5])(CCC)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH){1|C<3>,2|O<1>,3|C<4>}	C(C[5]C[5,5,6]C[5])(CCC)(H)2	120.9320	0.000	1	120.9613	0.401	3	120.9613	0.401	3	120.9613	0.401	3	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:4:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]B[5]C)(CCHH)	C[5,5,6](C[5,5,6]B[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]B[5]C)(C[5]C[5]C)(CCHH)	C(C[5]C[5,5,6]C[5])(CH3)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]B[5]C)(CCHH){1|B<3>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]B[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]B[5]C)(C[5]C[5]C)(CCHH){3|C<3>,3|C<4>}	C(C[5]C[5,5,6]C[5])(CH3)(H)2	121.7360	0.000	1	121.7360	0.000	1	121.7360	0.000	1	121.7360	0.000	1	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:3:4:	4:4:3:4:	3:4:4:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(CCCH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCHH)	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5,6]	C	4:3:4:	4:4:4:3:	3:1:1:1:	C[5,5,6]-4:N[5]-3:C-4:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]O[5]O)(CH3)	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C)	C(C[5]C[5,5,6]N[5])(H)3	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]O[5]O)(CH3){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C(C[5]C[5,5,6]N[5])(H)3	127.7910	0.000	2	127.7910	0.000	2	127.7910	0.000	2	127.7910	0.000	2	122.0642	6.199	24	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	3:4:4:	3:3:2:3:	3:1:1:1:	C[5,6]-3:C[5,5]-4:C-4:	C[5]-3:C[5]-3:N[5]-2:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O)	C(C[5]C[5,5]C[5,6])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>}	C(C[5]C[5,5]C[5,6])(H)3	121.3450	1.405	3	121.3450	1.975	3	121.3450	1.975	3	121.3450	1.975	3	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	3:4:4:	4:3:3:3:	3:1:1:1:	C[5,5]-3:C[5,5]-4:C-4:	C[5]-4:N[5]-3:N[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]N[5]2)(CH3)	C[5,5](C[5]N[5,5]HH)(N[5]C[5,6a]C)2(C[5]C[5,5]C)	C(C[5]C[5,5]2)(H)3	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]N[5]2)(CH3){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5]N[5,5]HH)(N[5]C[5,6a]C)2(C[5]C[5,5]C){1|N<3>,3|C<3>}	C(C[5]C[5,5]2)(H)3	121.2260	0.000	1	121.2260	0.000	1	121.2260	0.000	1	121.2260	0.000	1	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	3:3:3:2:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){4|H<1>}	C(C[5]C[5,5]N[5])(H)3	123.7300	0.000	1	123.7300	0.000	1	123.7300	0.000	1	123.3180	0.339	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	3:3:3:2:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	N[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]N[5]O[5])(N[5]N[5])(CH3)	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]N[5]O[5])(N[5]N[5])(CH3){1|O<1>,2|C<3>,2|C<4>}	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5,5]N[5])(H)3	122.9060	0.000	1	122.9060	0.000	1	122.9060	0.000	1	123.3180	0.339	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	3:3:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){7|C<3>}	C(C[5]C[5,5]N[5])(H)3	124.5610	0.000	1	124.5610	0.000	1	124.5610	0.000	1	124.5610	0.000	1	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]N[5,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]H)(C[5]N[5]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,5]N[5])(H)3	123.4330	0.000	1	123.4330	0.000	1	123.4330	0.000	1	123.3135	0.029	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]N)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]N){2|C<3>,4|H<1>}	C(C[5]C[5,5]N[5])(H)3	123.1940	0.000	1	123.1940	0.000	1	123.1940	0.000	1	123.3135	0.029	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	3:4:4:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]C){3|H<1>,6|C<3>}	C(C[5]C[5,5]N[5])(H)3	123.8880	0.685	4	123.8880	0.469	4	123.8880	0.469	4	123.4212	1.441	5	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	3:4:4:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]3)(N[5]C[5])(CH3)	C[5,5](C[5]C[3]C[5])(C[5]C[5]HH)2(C[5]N[5]C)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]C[5])(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[3]C[5])(C[5]C[5]HH)2(C[5]N[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5]N[5])(H)3	121.5540	0.000	1	121.5540	0.000	1	121.5540	0.000	1	123.4212	1.441	5	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	3:4:4:3:	3:4:4:4:	C[5,5]-4:N[5]-2:C-4:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C-4:C-4:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CC3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]C)	C(C[5]C[5,5]N[5])(CH3)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a])(CC3){1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,5]N[5])(CH3)3	126.8340	0.000	1	126.8340	0.000	1	126.8340	0.000	1	126.8340	0.000	1	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:2:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){1|N<2>,4|C<3>}	C(C[5]C[5,5]N[5])(H)3	125.4660	0.000	1	125.2077	0.436	3	125.2077	0.436	3	125.2077	0.436	3	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:2:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C(C[5]C[5,5]N[5])(H)3	125.0785	0.879	2	125.2077	0.436	3	125.2077	0.436	3	125.2077	0.436	3	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:2:3:3:	3:4:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CCHH)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(CH3)(H)2	C[5](C[5,5]C[5]2O[5])(N[5]N[5])(CCHH){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C(C[5]C[5,5]N[5])(CH3)(H)2	125.9510	0.000	1	125.9510	0.000	1	125.9510	0.000	1	125.9510	0.000	1	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:3:2:1:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CH3)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CH3){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H){1|H<1>,3|C<4>}	C(C[5]C[5,5]N[5])(H)3	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	120.4950	0.000	1	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5])(CCHH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(C[5]N[5]C)(H)	C(C[5]C[5,5]N[5])(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5])(CCHH){1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O)(C[5]N[5]C)(H){1|O<2>,3|H<1>}	C(C[5]C[5,5]N[5])(CH3)(H)2	122.7820	0.000	1	122.7820	0.000	1	122.7820	0.000	1	122.7820	0.000	1	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:3:3:2:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]N[5])(CH3)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]N[5])(CH3){1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,5]N[5])(H)3	125.6730	0.000	1	125.6730	0.000	1	125.6730	0.000	1	125.6730	0.000	1	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,5|C<3>}	C(C[5]C[5,5]N[5])(H)3	127.1610	0.033	2	127.1610	0.001	2	126.1147	1.065	9	126.1147	1.065	9	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)(C[5]N[5]S)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)(C[5]N[5]S){5|C<3>}	C(C[5]C[5,5]N[5])(H)3	125.8830	0.000	2	125.8830	0.000	2	126.1147	1.065	9	126.1147	1.065	9	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)(C[5]S[5]N)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<2>}	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)(C[5]S[5]N){1|H<1>,2|C<3>}	C(C[5]C[5,5]N[5])(H)3	126.8710	0.000	1	126.8710	0.000	1	126.1147	1.065	9	126.1147	1.065	9	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|S<4>,4|H<1>}	C(C[5]C[5,5]N[5])(H)3	124.5440	0.614	2	124.5440	0.377	2	126.1147	1.065	9	126.1147	1.065	9	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,5]N[5])(H)3	126.3290	0.000	1	126.4925	0.053	2	126.1147	1.065	9	126.1147	1.065	9	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[5,5]N[5])(H)3	126.6560	0.000	1	126.4925	0.053	2	126.1147	1.065	9	126.1147	1.065	9	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]2)(N[5]N[5])(CH3)	C[5,5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,5]C[5]2)(N[5]N[5])(CH3){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C(C[5]C[5,5]N[5])(H)3	127.2800	0.000	1	127.2800	0.000	1	127.2800	0.000	1	125.8863	0.705	12	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,6]C[5]2)(N[5]N[5])(CH3)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5,6]C[5]2)(N[5]N[5])(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C(C[5]C[5,5]N[5])(H)3	125.6898	0.209	4	125.6898	0.044	4	125.6898	0.044	4	125.8863	0.705	12	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,6|C<3>}	C(C[5]C[5,5]N[5])(H)3	124.5900	0.000	1	124.5900	0.000	1	125.7994	0.912	7	125.8863	0.705	12	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,8|C<3>}	C(C[5]C[5,5]N[5])(H)3	126.3210	0.000	1	126.0647	0.496	3	125.7994	0.912	7	125.8863	0.705	12	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	C(C[5]C[5,5]N[5])(H)3	125.9365	0.945	2	126.0647	0.496	3	125.7994	0.912	7	125.8863	0.705	12	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,4|C<3>}	C(C[5]C[5,5]N[5])(H)3	125.3305	0.733	2	125.3305	0.538	2	125.7994	0.912	7	125.8863	0.705	12	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3)	C[5,5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,5]N[5])(H)3	C[5](C[5,5]C[5]3)(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,3|C<3>}	C(C[5]C[5,5]N[5])(H)3	127.1510	0.000	1	127.1510	0.000	1	125.7994	0.912	7	125.8863	0.705	12	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	3:3:3:2:	3:3:4:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C-4:H-1:	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)(O[5]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH){1|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	122.3550	0.000	1	122.3550	0.000	1	122.3550	0.000	1	122.3550	0.000	1	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C(C[5]C[5,5]C[5])(H)3	122.0640	0.000	1	122.0640	0.000	1	122.0640	0.000	1	122.0640	0.000	1	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-3:As[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>}	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3){5|C<4>}	C(C[5]C[5,5]C[5])(H)3	122.4550	0.000	2	122.4550	0.000	2	122.4550	0.000	2	122.4550	0.000	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	3:4:2:3:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-4:O[5]-2:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,5](C[5]C[5,6]O)(C[5]C[5]HO)(O[5]C[5,6])(C[5]C[5]C){1|H<1>,6|C<4>}	C(C[5]C[5,5]C[5])(H)3	120.2687	0.968	3	120.2687	0.938	3	120.2687	0.938	3	120.2687	0.938	3	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	3:4:3:1:	3:2:1:1:	C[5,5]-4:C[5]-3:C-4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O-2:H-1:H-1:	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(CHHO)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H)	C(C[5]C[5,5]C[5])(OC)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]H)(CHHO){1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H){7|H<1>}	C(C[5]C[5,5]C[5])(OC)(H)2	123.6400	1.198	2	123.6400	1.435	2	123.6400	1.435	2	123.6400	1.435	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	3:4:3:1:	3:3:2:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:O-2:H-1:	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2H)(C[5]C[5]C)(H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2H)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	119.2990	11.120	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	3:4:3:1:	3:3:2:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[6a]-3:O-2:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]HO){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(OC)(H)	116.9410	0.000	1	116.9410	0.000	1	116.9410	0.000	1	119.2990	11.120	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	3:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CCHH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]C){2|H<1>,4|C<3>}	C(C[5]C[5,5]C[5])(CCHH)(H)2	123.6520	0.000	1	123.6520	0.000	1	123.6520	0.000	1	123.6520	0.000	1	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	3:4:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-3:Si[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3){1|N<3>,1|P<3>,3|C<4>}	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3){1|Cl<1>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	122.4230	0.000	2	122.4230	0.000	2	122.4230	0.000	2	122.6805	0.908	4	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	3:4:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3){1|C<4>,6|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3){1|C<4>,5|C<3>}	C(C[5]C[5,5]C[5])(H)3	122.9380	1.568	2	122.9380	2.460	2	122.9380	2.460	2	122.6805	0.908	4	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	3:4:3:4:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH)	C(C[5]C[5,5]C[5])(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH){1|C<4>,6|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH){1|C<4>,5|C<3>}	C(C[5]C[5,5]C[5])(CH3)(H)2	123.5025	1.149	2	123.5025	1.320	2	123.5025	1.320	2	123.5025	1.320	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:2:3:2:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:O[5]-2:C[5]-3:O[5]-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3)	C[5,5](C[5]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]C)(O[5]C[5])	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,6]HH)(O[5]C[5,6])(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:2:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|W<6>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	119.7700	0.000	1	120.4850	0.424	4	120.4850	0.424	4	120.4850	0.424	4	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:2:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|Cr<6>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	120.1100	0.000	1	120.4850	0.424	4	120.4850	0.424	4	120.4850	0.424	4	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:2:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|Mo<6>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	121.0300	0.163	2	120.4850	0.424	4	120.4850	0.424	4	120.4850	0.424	4	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6a])(CH3)	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]C)(O[5]C[5])(H)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6a])(CH3){1|C<4>,5|C<3>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[5,5]C[5])(H)3	121.3740	0.000	1	121.3740	0.000	1	121.3740	0.000	1	121.4605	0.015	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C)(O[5]C[5])(H)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C)(O[5]C[5])(H){1|C<3>,1|H<1>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	121.5470	0.000	1	121.5470	0.000	1	121.5470	0.000	1	121.4605	0.015	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:2:1:	3:4:1:1:	C[5,5]-4:N[5]-3:C-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:S-4:H-1:H-1:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H)	C(C[5]C[5,5]N[5])(SC[6a]OO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5]N[5])(SC[6a]OO)(H)2	126.7380	0.000	1	126.7380	0.000	1	126.7380	0.000	1	126.7380	0.000	1	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:2:2:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(O[5]C[5])2	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(O[5]C[5])2{1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,5]C[5])(H)3	121.2390	0.000	1	121.2390	0.000	1	120.5385	0.981	2	120.5385	0.981	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:2:2:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3)	C[5,5](C[5]C[5,6]HH)(C[5]C[5]C)(O[5]C[5])2	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5]C)(O[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5])(H)3	119.8380	0.000	1	119.8380	0.000	1	120.5385	0.981	2	120.5385	0.981	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:2:2:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O[5]-2:O[5]-2:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O[5]C[5])2	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O[5]C[5])2{1|O<1>,3|C<3>,4|H<1>}	C(C[5]C[5,5]C[5])(CCHH)(H)2	121.5570	0.000	1	121.5570	0.000	1	121.5570	0.000	1	121.5570	0.000	1	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:2:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|F<1>,1|W<6>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5])(H)3	119.7350	0.000	1	119.3943	0.087	3	119.3943	0.087	3	119.3943	0.087	3	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:2:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|Cl<1>,1|Cr<6>,1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5])(H)3	119.2070	0.000	1	119.3943	0.087	3	119.3943	0.087	3	119.3943	0.087	3	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:2:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|Cl<1>,1|Mo<6>,1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5])(H)3	119.2410	0.000	1	119.3943	0.087	3	119.3943	0.087	3	119.3943	0.087	3	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5,5]-3:C-4:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(CH3)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(C[5]N[5]O)(H)	C(C[5]C[5,5]2)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]C[5])(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,5]2)(H)3	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	121.8405	1.990	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[3x5]-4:N[5]-3:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]H)(CH3)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]H)(CH3){1|O<2>,2|C<3>,3|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(C[5]C[5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[5]C[5,5]C[5])(H)3	122.8380	0.000	1	122.8380	0.000	1	122.8380	0.000	1	121.8405	1.990	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){3|C<3>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	123.3165	0.063	2	123.2160	0.282	10	123.2160	0.282	10	122.8296	1.054	12	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|S<1>,3|C<3>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	123.4435	0.100	2	123.2160	0.282	10	123.2160	0.282	10	122.8296	1.054	12	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|Se<1>,3|C<3>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	123.4825	0.161	2	123.2160	0.282	10	123.2160	0.282	10	122.8296	1.054	12	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|Ta<10>,3|C<3>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	122.9188	0.791	4	123.2160	0.282	10	123.2160	0.282	10	122.8296	1.054	12	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]H)(CH3)	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,1|W<6>,4|C<3>}	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|W<6>,4|C<3>}	C(C[5]C[5,5]C[5])(H)3	120.6700	0.000	1	120.6700	0.000	1	120.6700	0.000	1	122.8296	1.054	12	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:B[5,5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]B[5,5]C[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5]C[6a]2C[5])(B[5,5]C[5]O[5])(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]B[5,5]C[5]C)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5]C[6a]2C[5])(B[5,5]C[5]O[5])(C[5]C[5]C)(CH3){2|C<4>,2|H<1>,5|C<3>}	C(C[5]C[5,5]C[5])(H)3	121.1250	0.000	1	121.1250	0.000	1	121.1250	0.000	1	122.8296	1.054	12	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:3:3:4:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]C)2(CCHH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH){2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]C)2(CCHH){4|C<4>}	C(C[5]C[5,5]C[5])(CCHH)(H)2	123.4756	0.670	16	123.4756	0.448	16	123.4756	0.448	16	123.4756	0.448	16	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[3x5]-4:C[3,5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]H)(CH3)	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[3,5]C[3,5,6]C[3]H)(C[5]C[5]C)(H)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]H)(CH3){3|H<1>,4|C<4>}	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[3,5]C[3,5,6]C[3]H)(C[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[5]C[5,5]C[5])(H)3	121.4250	0.000	1	121.4250	0.000	1	121.4250	0.000	1	122.1978	0.500	5	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[3x5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(CH3)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]HO)(C[5]C[5]C)(H)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]H)(CH3){2|H<1>,2|O<2>,3|C<4>}	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<2>,5|H<1>}	C(C[5]C[5,5]C[5])(H)3	122.7820	0.546	2	122.7820	0.298	2	122.7820	0.298	2	122.1978	0.500	5	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]H)(CH3)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]O[5]2)(C[5]C[5]C)(H)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]C[5]H)(CH3){1|H<1>,3|C<4>,3|O<2>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5]O[5]2)(C[5]C[5]C)(H){1|O<2>,4|C<4>,7|H<1>}	C(C[5]C[5,5]C[5])(H)3	122.4150	0.000	1	122.4150	0.000	1	122.4150	0.000	1	122.1978	0.500	5	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]C)(CH3)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O)(C[5]C[5]C)(H)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O)(C[5]C[5]C)(H){2|C<3>,2|C<4>,2|O<1>}	C(C[5]C[5,5]C[5])(H)3	121.5850	0.000	1	121.5850	0.000	1	121.5850	0.000	1	122.1978	0.500	5	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CC[5]HH)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(C[5]C[5]C)(H)	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CC[5]HH){2|C<4>,2|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	123.1935	0.607	2	123.1935	0.369	2	123.1935	0.369	2	121.6772	1.775	6	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(CCHH)	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)(H)	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)(H){2|O<1>,4|C<4>,5|H<1>}	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	120.9190	0.732	4	120.9190	0.535	4	120.9190	0.535	4	121.6772	1.775	6	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:4:3:2:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6]-4:C[5]-3:O[5]-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(CH3)	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(C[5]C[5]C)(O[5]C[5])	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5,6]O[5])(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(C[5]C[5]C)(O[5]C[5]){1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5])(H)3	123.8480	0.000	1	123.8480	0.000	1	123.8480	0.000	1	122.5090	3.586	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:4:3:2:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5,5]-4:C[5]-3:O-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]C)(CH3)	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]C)(CH3){1|H<1>,3|C<4>,3|O<2>}	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH){1|C<3>,2|H<1>,3|O<2>,5|C<4>}	C(C[5]C[5,5]C[5])(H)3	121.1700	0.000	1	121.1700	0.000	1	121.1700	0.000	1	122.5090	3.586	2	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]C)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,5]C[5])(CCHH)(H)2	121.2227	0.393	3	119.8011	2.026	7	119.8011	2.026	7	119.7630	1.748	8	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]C)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(C[5]C[5]C)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C(C[5]C[5,5]C[5])(CCHH)(H)2	118.7350	0.642	4	119.8011	2.026	7	119.8011	2.026	7	119.7630	1.748	8	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CCHH)	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(N[5]C[5]C)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5]C[5,5]C[5])(CCHH)(H)2	119.4960	0.000	1	119.4960	0.000	1	119.4960	0.000	1	119.7630	1.748	8	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[3,5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[3,5,5]C[5]C)(C[5]C[3,5]C)(CH3)	C[5,5](C[3,5,5]C[3,5]P[3,5]C)(C[5]C[5a]N[5]H)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3,5,5]C[5]C)(C[5]C[3,5]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|P<4>,2|C<4>}	C[5,5](C[3,5,5]C[3,5]P[3,5]C)(C[5]C[5a]N[5]H)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,1|W<6>,3|C<4>}	C(C[5]C[5,5]C[5])(H)3	120.4250	0.000	1	120.4250	0.000	1	120.4250	0.000	1	121.6540	1.522	4	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[3,5,5]-4:P[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[3,5,5]P[5]C)(C[5]C[3,5]C)(CH3)	C[5,5](C[3,5,5]C[3,5]2C)(P[5]C[5]OW)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[3,5,5]P[5]C)(C[5]C[3,5]C)(CH3){1|O<2>,1|W<6>,4|C<4>}	C[5,5](C[3,5,5]C[3,5]2C)(P[5]C[5]OW)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5])(H)3	121.4145	0.153	2	121.4145	0.024	2	121.4145	0.024	2	121.6540	1.522	4	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,5]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:P[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]2C)(P[5]C[5]WW)(C[5]C[5]C)(CH3)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3){1|W<6>,1|W<8>,4|C<4>}	C[5,5](C[5,5]C[5]2C)(P[5]C[5]WW)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	C(C[5]C[5,5]C[5])(H)3	123.3620	0.000	1	123.3620	0.000	1	123.3620	0.000	1	121.6540	1.522	4	122.9043	4.819	130	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6,6]	C	4:3:4:	4:2:3:4:	3:1:1:1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|Cr<6>,1|H<1>,1|O<2>,4|C<4>}	C(C[5]C[5,6,6]C[5])(H)3	121.7760	0.000	1	121.3827	0.116	3	121.3827	0.116	3	121.3827	0.116	3	121.8198	0.175	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6,6]	C	4:3:4:	4:2:3:4:	3:1:1:1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|W<6>,4|C<4>}	C(C[5]C[5,6,6]C[5])(H)3	121.2050	0.000	1	121.3827	0.116	3	121.3827	0.116	3	121.3827	0.116	3	121.8198	0.175	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6,6]	C	4:3:4:	4:2:3:4:	3:1:1:1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|Mo<6>,1|H<1>,1|O<2>,4|C<4>}	C(C[5]C[5,6,6]C[5])(H)3	121.1670	0.000	1	121.3827	0.116	3	121.3827	0.116	3	121.3827	0.116	3	121.8198	0.175	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6,6]	C	4:3:4:	4:2:4:3:	3:1:1:1:	C[5,6,6]-4:C[5]-3:C-4:	C[6,6]-4:O[5,6]-2:C[6]-4:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3)	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C)	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]O[6]HH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,6,6]C[5])(H)3	121.9710	0.000	1	121.9710	0.000	1	121.9710	0.000	1	121.9710	0.000	1	121.8198	0.175	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6,6]	C	4:3:4:	4:2:4:3:	3:4:4:1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6]-4:O[6,6]-2:C[6]-4:C[5]-3:	C[5]-3:C-4:C-4:H-1:	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]H)(CCCH)	C[5,6,6](C[5,6]C[5]C[6]C)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]C)	C(C[5]C[5,6,6]C[5])(CH3)2(H)	C[5](C[5,6,6]C[5,6]O[6,6]C[6])(C[5]C[5]H)(CCCH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[5]C[6]C)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C(C[5]C[5,6,6]C[5])(CH3)2(H)	121.6270	0.000	1	121.6270	0.000	1	121.6270	0.000	1	121.6270	0.000	1	121.8198	0.175	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6,6]	C	4:3:4:	4:3:3:3:	3:4:1:1:	C[5,6,6]-4:C[5]-3:C-4:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(CCHH)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]O)	C(C[5]C[5,6,6]C[5])(CCHH)(H)2	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]O){1|O<1>,4|C<3>,5|H<1>}	C(C[5]C[5,6,6]C[5])(CCHH)(H)2	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	121.8198	0.175	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|Cr<6>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C(C[5]C[5,6,6]C[5])(H)3	122.2350	0.000	1	122.0990	0.016	3	122.0990	0.016	3	122.0990	0.016	3	121.8198	0.175	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|H<1>,1|W<6>,2|C<3>,2|O<2>,3|C<4>}	C(C[5]C[5,6,6]C[5])(H)3	122.0820	0.000	1	122.0990	0.016	3	122.0990	0.016	3	122.0990	0.016	3	121.8198	0.175	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C(C[5]C[5,6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|Mo<6>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C(C[5]C[5,6,6]C[5])(H)3	121.9800	0.000	1	122.0990	0.016	3	122.0990	0.016	3	122.0990	0.016	3	121.8198	0.175	9	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	3:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5,6a]N[5,5])(C[5,6]C[5,6]C[6]H)(CCHH)	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H)	C(C[5]C[5,5]C[5,6])(CH3)(H)2	C[5](C[5,5]C[5,6a]N[5,5])(C[5,6]C[5,6]C[6]H)(CCHH){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]N[5,5]C[6]H)(C[5]C[5,5]C)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C(C[5]C[5,5]C[5,6])(CH3)(H)2	124.4420	0.000	1	124.4420	0.000	1	124.4420	0.000	1	124.4420	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	3:3:2:3:	3:4:3:1:	C[5,6]-4:C[5]-2:C-4:	C[5,6]-3:C[5]-3:C[6]-2:C-3:	C[5]-3:C-4:C-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5])(CCCH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6])(CHH)	C(C[5]C[5,6]C[5])(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5])(CCCH){1|C<2>,1|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6])(CHH){2|C<2>}	C(C[5]C[5,6]C[5])(CH3)(CCH)(H)	117.8870	0.000	1	117.8870	0.000	1	117.8870	0.000	1	117.8870	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[5a,6]-3:C[6]-3:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]N[5])(CH3)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]N[5])(CH3){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C(C[5]C[5,6]N[5])(H)3	124.0860	0.000	1	124.0860	0.000	1	124.0860	0.000	1	123.6556	0.384	5	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[6,6a]-3:C[6]-3:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5])(CH3){1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C(C[5]C[5,6]N[5])(H)3	123.9935	0.285	2	123.9935	0.081	2	123.9935	0.081	2	123.6556	0.384	5	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])(H)3	123.1025	0.655	2	123.1025	0.430	2	123.1025	0.430	2	123.6556	0.384	5	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	3:4:3:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])(H)3	124.1640	0.000	1	124.1640	0.000	1	124.1640	0.000	1	124.1640	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	3:4:4:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a])(CH3){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C){2|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6]N[5])(H)3	124.1930	0.000	1	124.1930	0.000	1	124.1930	0.000	1	124.1930	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CH3)	C[5,6](C[5,6]C[6]O[5]H)(C[5]N[5]C)(C[6]C[6]O)(H)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CH3){1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]N[5]C)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,6]N[5])(H)3	124.7720	0.000	1	124.7720	0.000	1	124.7720	0.000	1	124.7720	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	4:3:3:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[5]C[5,6]N[5])(H)3	125.2585	0.538	2	125.2585	0.290	2	125.2585	0.290	2	125.2585	0.290	2	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CCHH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(C[5]N[5]C)(H)	C(C[5]C[5,6]N[5])(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6]N[5])(CCH)(H)2	125.2380	0.000	1	125.2380	0.000	1	125.2380	0.000	1	125.2380	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6]N[5])(H)3	124.6073	0.178	3	124.6073	0.032	3	125.8066	1.181	16	125.8066	1.181	16	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|Fe<10>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C(C[5]C[5,6]N[5])(H)3	124.8130	0.000	1	124.8130	0.000	1	125.8066	1.181	16	125.8066	1.181	16	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,5|C<3>}	C(C[5]C[5,6]N[5])(H)3	125.7402	0.583	5	125.7402	0.340	5	125.8066	1.181	16	125.8066	1.181	16	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[5]C[5,6]N[5])(H)3	128.1740	0.000	1	128.1740	0.000	1	125.8066	1.181	16	125.8066	1.181	16	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6]N[5])(H)3	125.4630	0.000	1	125.4630	0.000	1	125.8066	1.181	16	125.8066	1.181	16	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	C(C[5]C[5,6]N[5])(H)3	126.0995	1.084	2	126.6053	1.355	3	125.8066	1.181	16	125.8066	1.181	16	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){4|H<1>,6|C<3>}	C(C[5]C[5,6]N[5])(H)3	127.6170	0.000	1	126.6053	1.355	3	125.8066	1.181	16	125.8066	1.181	16	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	C(C[5]C[5,6]N[5])(H)3	126.5580	0.000	1	126.5580	0.000	1	125.8066	1.181	16	125.8066	1.181	16	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	4:4:3:3:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]O[5])(CH3)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5]C[6]2)(N[5]O[5])(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]O[5]O){1|S<4>,4|C<3>}	C(C[5]C[5,6]N[5])(H)3	125.5590	0.000	1	125.5590	0.000	1	125.8066	1.181	16	125.8066	1.181	16	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:2:4:	4:4:3:4:	3:1:1:1:	C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(N[5]O[5])(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]S[6]HH)(C[5]N[5]C)(CC[6a]CH)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(N[5]O[5])(CH3){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]S[6]HH)(C[5]N[5]C)(CC[6a]CH){1|C<4>,2|H<1>}	C(C[5]C[5,6]N[5])(H)3	123.5040	0.000	1	123.5040	0.000	1	123.5040	0.000	1	123.5040	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	2:3:3:4:	3:2:1:1:	C[5,6]-4:C[5]-3:C-4:	O[5,6]-2:C[6]-3:C[5]-3:C-4:	C[5]-3:O-2:H-1:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO)	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(OH)(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO){1|Br<1>,1|H<1>,2|C<3>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,2|H<1>}	C(C[5]C[5,6]C[5])(OH)(H)2	121.3960	0.000	1	121.3960	0.000	1	121.3960	0.000	1	121.3960	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	2:3:4:3:	3:1:1:1:	C[5,6]-4:N[5]-3:C-4:	O[5,6]-2:C[6a]-3:C[6]-4:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]O[5,6]C[6a]C[6])(N[5]C[5,6]O)(CH3)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C)	C(C[5]C[5,6]N[5])(H)3	C[5](C[5,6]O[5,6]C[6a]C[6])(N[5]C[5,6]O)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6]N[5])(H)3	128.0575	0.019	2	128.0575	0.000	2	128.0575	0.000	2	128.0575	0.000	2	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	2:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CCHH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]C)(H)	C(C[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6]C[5])(CCHH)(H)2	122.7820	0.000	1	122.7820	0.000	1	122.7820	0.000	1	122.7820	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	2:4:3:4:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	122.7890	0.000	1	122.7890	0.000	1	122.7890	0.000	1	122.7890	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	3:2:3:4:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-3:Se[6]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3)	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3){1|Se<2>,1|C<3>,1|C<4>}	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	121.4200	0.000	1	121.4200	0.000	1	121.4200	0.000	1	121.4200	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	121.2080	0.000	1	121.2080	0.000	1	121.2080	0.000	1	121.2080	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C(C[5]C[5,6]C[5])(H)3	122.8375	0.194	2	122.8375	0.038	2	122.8375	0.038	2	122.2079	0.322	7	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(CH3)	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	121.7905	0.281	4	121.7905	0.079	4	121.7905	0.079	4	122.2079	0.322	7	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CNO)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CNO){1|O<1>,3|C<3>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	122.6180	0.000	1	122.6180	0.000	1	122.6180	0.000	1	122.2079	0.322	7	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5]H)(CH3)	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5]H)(CH3){1|W<6>,4|C<3>}	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	121.9500	0.000	1	121.9500	0.000	1	121.9500	0.000	1	122.0005	0.005	2	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[5,6]C[5])(H)3	122.0510	0.000	1	122.0510	0.000	1	122.0510	0.000	1	122.0005	0.005	2	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	3:3:4:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	P[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3)	C[5,6](P[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[5]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,6](P[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	C(C[5]C[5,6]C[5])(H)3	117.4600	0.000	1	117.4600	0.000	1	117.4600	0.000	1	117.4600	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	3:4:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	N[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3)	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6](N[6]C[6a]C[6])(C[6]C[6]HH)(C[5]C[5]C)(C[5]O[5]N){1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[5,6]C[5])(H)3	122.2125	1.650	2	122.2125	2.721	2	122.2125	2.721	2	122.2125	2.721	2	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:2:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:O[5,6]-2:C[5]-3:C-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(COO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	123.8520	0.000	1	123.8520	0.000	1	123.8520	0.000	1	123.8520	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:2:3:4:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:O[6]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]H)(CH3){1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6]C[5])(H)3	120.5730	0.000	1	120.5730	0.000	1	120.5730	0.000	1	122.4190	6.815	2	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:2:3:4:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:O[5,6]-2:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	124.2650	0.000	1	124.2650	0.000	1	124.2650	0.000	1	122.4190	6.815	2	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	121.2905	0.453	2	121.2905	0.205	2	120.9577	0.435	3	120.9577	0.435	3	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5])(H)3	120.2920	0.000	1	120.2920	0.000	1	120.9577	0.435	3	120.9577	0.435	3	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:3:3:2:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:C[6]-3:C[5]-3:O[5]-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3)	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5])	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5]){3|H<1>,4|C<3>}	C(C[5]C[5,6]C[5])(H)3	124.3160	0.000	1	124.3160	0.000	1	124.3160	0.000	1	124.3160	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:3:3:4:	3:4:4:2:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5]-3:C-4:C-4:O-2:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCO)	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	125.1880	0.000	1	125.1880	0.000	1	125.1880	0.000	1	125.1880	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)(H)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]2H)(C[5]C[5]H)(CH3){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C(C[5]C[5,6]C[5])(H)3	122.0220	0.000	1	122.0220	0.000	1	122.0220	0.000	1	121.8099	1.441	8	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	122.2615	0.473	2	122.2615	0.224	2	122.3472	1.009	5	121.8099	1.441	8	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(CH3)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HH)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	123.1465	0.695	2	123.1465	0.483	2	122.3472	1.009	5	121.8099	1.441	8	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C(C[5]C[5,6]C[5])(H)3	120.9200	0.000	1	120.9200	0.000	1	122.3472	1.009	5	121.8099	1.441	8	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:S[5,6]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]H)(CH3)	C[5,6](C[6]C[6a]C[6]H)(S[5,6]C[5,6]OO)(C[5]C[5]C)(H)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]S[5,6]C[6]H)(C[5]C[5,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5,6](C[6]C[6a]C[6]H)(S[5,6]C[5,6]OO)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[5,6]C[5])(H)3	120.3605	0.600	2	120.3605	0.360	2	120.3605	0.360	2	121.8099	1.441	8	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:2:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O-2:H-1:H-1:	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(CHHO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C(C[5]C[5,6]C[5])(OC)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]H)(CHHO){1|C<3>,3|H<1>,3|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5])(OC)(H)2	124.7590	0.000	1	124.7590	0.000	1	124.7590	0.000	1	123.6807	0.888	3	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:2:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O-2:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CHHO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H)	C(C[5]C[5,6]C[5])(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CHHO){1|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6]C[5])(OH)(H)2	123.1415	0.179	2	123.1415	0.032	2	123.1415	0.032	2	123.6807	0.888	3	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:2:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(CH3){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH){1|O<2>,2|H<1>,5|C<4>}	C(C[5]C[5,6]C[5])(H)3	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	122.3260	7.574	2	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:2:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6,6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3)	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5])	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,6]C[5])(H)3	124.2720	0.000	1	124.2720	0.000	1	124.2720	0.000	1	122.3260	7.574	2	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(C[5]O[5]N){2|H<1>,3|C<3>}	C(C[5]C[5,6]C[5])(H)3	122.2815	0.247	2	122.2815	0.061	2	122.2815	0.061	2	122.2815	0.061	2	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:3:	3:3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5]-3:C-3:C-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH)	C(C[5]C[5,6]C[5])(COO)2(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CCH){1|C<4>,1|O<1>,5|H<1>}	C(C[5]C[5,6]C[5])(COO)2(H)	120.5150	0.000	1	120.5150	0.000	1	120.5150	0.000	1	120.5150	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:3:	3:4:1:1:	C[5,6]-4:N[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]N[5]H)(CCHH)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O)	C(C[5]C[5,6]N[5])(CH3)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]N[5]H)(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6]N[5])(CH3)(H)2	125.5170	0.000	1	125.5170	0.000	1	125.5170	0.000	1	125.5170	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|P<4>,2|C<4>,3|C<3>}	C(C[5]C[5,6]C[5])(H)3	120.9903	0.522	4	120.9903	0.272	4	120.9903	0.272	4	121.1480	0.947	9	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5])(H)3	123.1230	0.000	1	123.1230	0.000	1	121.7138	0.906	4	121.1480	0.947	9	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(CH3){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5])(H)3	121.1970	0.000	1	121.1970	0.000	1	121.7138	0.906	4	121.1480	0.947	9	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3){1|C<3>,5|H<1>}	C(C[5]C[5,6]C[5])(H)3	121.0830	0.000	1	121.0830	0.000	1	121.7138	0.906	4	121.1480	0.947	9	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6]C[5])(H)3	121.4520	0.000	1	121.4520	0.000	1	121.7138	0.906	4	121.1480	0.947	9	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:4:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5,6]C[6a])(CH3)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5,6]C[6a])(CH3){1|P<3>,3|H<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3){1|P<3>,4|C<3>}	C(C[5]C[5,6]C[5])(H)3	119.5160	0.000	1	119.5160	0.000	1	119.5160	0.000	1	121.1480	0.947	9	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	4:4:3:4:	3:4:4:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-3:C-4:C-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	121.3850	0.000	1	121.3850	0.000	1	121.3850	0.000	1	121.3850	0.000	1	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5,6]	C	4:3:4:	6:3:3:3:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5x3,6x5,20x6]-6:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,6]C[5x3,6x5,20x6]C[6]2)(C[5]C[5x3,6x5,20x6]H)(CCHH)	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2	C(C[5]C[5,6]C[5])(CCHH)(H)2	C[5](C[5,6]C[5x3,6x5,20x6]C[6]2)(C[5]C[5x3,6x5,20x6]H)(CCHH){2|C<3>,2|H<1>,6|B<6>}	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2{1|C<4>,5|B<6>,7|H<1>}	C(C[5]C[5,6]C[5])(CCHH)(H)2	119.2305	0.316	2	119.2305	0.100	2	119.2305	0.100	2	119.2305	0.100	2	123.0810	5.219	86	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:2:1:1:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:N-3:H-1:H-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(CHHN)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C(C[5]C[5]2)(NCS)(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(CHHN){1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C(C[5]C[5]2)(NCS)(H)2	122.3470	0.000	1	122.3470	0.000	1	122.3470	0.000	1	122.3470	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:2:4:2:	3:4:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-3:C-4:F-1:F-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF)	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH)	C(C[5]C[5]2)(CCHH)(F)2	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF){1|O<2>,3|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH){1|O<2>,2|C<3>}	C(C[5]C[5]2)(CCHH)(F)2	122.0395	0.310	2	122.0395	0.096	2	122.0395	0.096	2	122.0395	0.096	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|Re<8>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	119.7910	0.000	1	119.7910	0.000	1	121.4702	0.884	5	121.6835	0.980	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|C<4>,3|C<3>}	C(C[5]C[5]2)(H)3	121.8100	0.000	1	121.8900	0.004	4	121.4702	0.884	5	121.6835	0.980	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C(C[5]C[5]2)(H)3	121.9167	0.041	3	121.8900	0.004	4	121.4702	0.884	5	121.6835	0.980	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]O)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>}	C[5](C[5]C[5,6]O)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	122.7500	0.000	1	122.7500	0.000	1	122.7500	0.000	1	121.6835	0.980	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	122.5060	0.000	1	122.5060	0.000	1	122.5060	0.000	1	122.5060	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:1:1:	3:4:3:1:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-3:H-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(CCCH)(COO)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|H<1>,3|C<3>}	C(C[5]C[5]2)(CCCH)(COO)(H)	122.8710	0.000	1	122.8710	0.000	1	122.8710	0.000	1	122.8710	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	120.5190	0.000	1	120.5190	0.000	1	120.5190	0.000	1	120.5190	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:3:3:	3:2:1:1:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C-3:C-3:	C[5]-3:O-2:H-1:H-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)2	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)2{1|H<1>,3|C<3>}	C(C[5]C[5]2)(OC)(H)2	123.2540	0.000	1	123.2540	0.000	1	123.2540	0.000	1	123.2540	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5]2)(H)3	121.8040	0.000	1	121.8040	0.000	1	121.8040	0.000	1	121.4197	0.313	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:4:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2)(H)3	120.5950	0.000	1	120.5950	0.000	1	120.5950	0.000	1	121.4197	0.313	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:4:1:	3:1:1:1:	N[5]-3:C[5]-4:C-4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]CH)(CH3)	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H)	C(C[5]C[5]N[5])(H)3	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]CH)(CH3){2|O<2>,3|C<3>}	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H){2|O<2>,3|C<3>}	C(C[5]C[5]N[5])(H)3	121.6400	0.116	2	121.6400	0.013	2	121.6400	0.013	2	121.4197	0.313	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:4:4:	3:1:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C(C[5]C[5,5]C[5])(H)3	122.8300	0.376	2	121.8530	2.934	3	121.3986	4.055	5	121.1543	3.602	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:4:4:	3:1:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C(C[5]C[5,5]C[5])(H)3	119.8990	0.000	1	121.8530	2.934	3	121.3986	4.055	5	121.1543	3.602	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:4:4:	3:1:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,5]C)2(CH3)2	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5]C)2(CH3)2{2|C<3>}	C(C[5]C[5,5]C[5])(H)3	122.8150	0.000	1	120.7170	8.803	2	121.3986	4.055	5	121.1543	3.602	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:4:4:	3:1:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,5]C)2(CH3)2	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,3|C<3>}	C[5](C[5]C[5,5]C)2(CH3)2{2|C<3>}	C(C[5]C[5,5]C[5])(H)3	118.6190	0.000	1	120.7170	8.803	2	121.3986	4.055	5	121.1543	3.602	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:4:4:	3:1:1:1:	N[5]-3:C[5]-4:C-4:	N[5]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]CC)(CH3)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)2	C(C[5]C[5]N[5])(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]CC)(CH3){2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)2{2|C<4>,3|C<3>}	C(C[5]C[5]N[5])(H)3	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	121.1543	3.602	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:4:4:	3:3:1:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:N-3:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2	C(C[5]C[5,6]C[5])(NHS)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN){2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2{2|C<4>}	C(C[5]C[5,6]C[5])(NHS)(H)2	123.4450	0.000	1	123.4450	0.000	1	123.4450	0.000	1	123.4450	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:3:4:4:	3:4:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH){1|C<3>,1|C<4>,2|O<1>}	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	122.1150	0.000	1	122.1150	0.000	1	122.1150	0.000	1	122.1150	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	3:4:2:1:	3:4:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH)	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH){1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C(C[5]C[5]2)(CCHH)(H)2	121.8350	0.000	1	121.8350	0.000	1	121.8350	0.000	1	121.8350	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]2)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|C<4>,2|C<3>}	C(C[5]C[5,5]C[5])(H)3	121.9635	0.326	2	121.9635	0.106	2	121.4737	0.773	3	120.5806	1.026	19	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|O<2>,4|C<3>}	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)2{2|C<3>}	C(C[5]C[5,5]C[5])(H)3	120.4940	0.000	1	120.4940	0.000	1	121.4737	0.773	3	120.5806	1.026	19	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C(C[5]C[5,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5])(H)3	119.2890	0.000	1	119.2890	0.000	1	119.2890	0.000	1	120.5806	1.026	19	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5,6]H)(C[5]C[5,5]HH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2)(H)3	120.4930	0.000	1	120.4930	0.000	1	120.3562	0.978	9	120.5806	1.026	19	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	121.0860	0.231	5	121.0860	0.053	5	120.3562	0.978	9	120.5806	1.026	19	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5]2)(H)3	118.9565	0.200	2	118.9565	0.040	2	120.3562	0.978	9	120.5806	1.026	19	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5]2)(H)3	119.3700	0.000	1	119.3700	0.000	1	120.3562	0.978	9	120.5806	1.026	19	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]C[5])(C[5]C[5,6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C[5])(C[5]C[5,6]HH)(CH3){1|Cr<9>,1|C<3>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	121.3850	0.000	1	121.3850	0.000	1	121.3850	0.000	1	120.5806	1.026	19	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]2)(H)3	121.7560	0.000	1	121.7560	0.000	1	120.7030	2.218	2	120.5806	1.026	19	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C(C[5]C[5]2)(H)3	119.6500	0.000	1	119.6500	0.000	1	120.7030	2.218	2	120.5806	1.026	19	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	N[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]HH)(CH3){1|C<3>,1|N<3>,4|C<4>}	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2{1|B<4>,1|C<3>}	C(C[5]N[5,6]C[5])(H)3	121.4030	0.000	1	120.4417	0.811	3	120.4417	0.811	3	120.5806	1.026	19	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	N[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,5|C<4>}	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2{1|B<4>,1|C<4>,1|H<1>}	C(C[5]N[5,6]C[5])(H)3	119.9610	0.486	2	120.4417	0.811	3	120.4417	0.811	3	120.5806	1.026	19	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:2:1:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O-2:H-1:H-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]C)(H)2	C(C[5]C[5,6]C[5])(OC)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5,6]C[5])(OC)(H)2	119.7000	0.000	1	119.7000	0.000	1	119.7000	0.000	1	119.7000	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:3:1:	C[5]-3:C[5]-4:C-4:	C[3x5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-3:C-3:H-1:	C[5](C[5]C[3x5]C[6a])(C[5]C[3x5]HH)(CCCH)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(COO)2(H)	C[5](C[5]C[3x5]C[6a])(C[5]C[3x5]HH)(CCCH){1|C<4>,2|N<3>,3|C<3>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C(C[5]C[5]2)(COO)2(H)	123.0880	0.000	1	123.0880	0.000	1	123.0880	0.000	1	123.0880	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5,5,6]C[5,5])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5](C[5,5]C[5,5,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	122.0455	0.342	2	122.0455	0.117	2	121.5982	0.364	6	121.6537	0.325	7	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	120.7030	0.000	1	120.7030	0.000	1	121.5982	0.364	6	121.6537	0.325	7	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	121.6260	0.000	1	121.6260	0.000	1	121.5982	0.364	6	121.6537	0.325	7	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C[5](C[5,5]C[5,6,6]C[5,5])(C[5]C[5]HH)(CCHH){3|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	121.5845	0.706	2	121.5845	0.499	2	121.5982	0.364	6	121.6537	0.325	7	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C(C[5]C[5]2)(CC[5]HH)(H)2	121.9870	0.000	1	121.9870	0.000	1	121.9870	0.000	1	121.6537	0.325	7	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(CCCH){3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	C(C[5]C[5,6]C[5])(CH3)2(H)	119.6070	0.000	1	119.6070	0.000	1	120.7108	1.278	5	120.7108	1.278	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	121.5270	0.000	1	121.5270	0.000	1	120.7108	1.278	5	120.7108	1.278	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	C(C[5]C[5,6]C[5])(CH3)2(H)	122.2610	0.000	1	121.2300	2.126	2	120.7108	1.278	5	120.7108	1.278	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){3|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(H)2{3|C<4>}	C(C[5]C[5,6]C[5])(CH3)2(H)	120.1990	0.000	1	121.2300	2.126	2	120.7108	1.278	5	120.7108	1.278	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)2	C(C[5]C[5,6]C[5])(CH3)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]HO)(C[5]C[5,6]C)(H)2{1|C<3>,2|C<4>}	C(C[5]C[5,6]C[5])(CH3)2(H)	119.9600	0.000	1	119.9600	0.000	1	120.7108	1.278	5	120.7108	1.278	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:2:	C[5,6]-3:C[5]-4:C-4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:O-2:	C[5](C[5,6]C[5,3x6]C[5,6])(C[5]C[5,6,6]HH)(CCCO)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	C[5](C[5,6]C[5,3x6]C[5,6])(C[5]C[5,6,6]HH)(CCCO){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(H)2{1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	119.6675	0.438	2	119.6675	0.192	2	119.6675	0.192	2	119.6675	0.192	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:1:1:	4:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CC[5]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	117.5740	0.000	1	117.5740	0.000	1	117.5740	0.000	1	117.5740	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:2:1:	3:2:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:O-2:H-1:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO){3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]2)(OH)(H)2	118.4500	0.000	1	118.4500	0.000	1	118.4500	0.000	1	118.4500	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C[5a]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(CH3)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(C[5a]C[5a]2)(H)	C(C[5]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(C[5a]C[5a]2)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(C[5]C[5,5]C[5])(H)3	119.5853	0.836	3	119.5853	0.698	3	119.5853	0.698	3	119.5853	0.698	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:3:1:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[5]HH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCC)(H)	C(C[5]C[5]2)2(H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[5]HH){2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCC)(H){1|C<3>}	C(C[5]C[5]2)2(H)2	120.3680	0.000	1	120.3680	0.000	1	120.3680	0.000	1	120.3680	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:3:1:	3:3:4:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5]H)(CC[6a]CH)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(C[6a]C[6a]2)(H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5]H)(CC[6a]CH){1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(C[6a]C[6a]2)(H){1|S<4>,2|H<1>,3|C<3>}	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	122.5110	0.000	1	122.5110	0.000	1	122.5110	0.000	1	122.5110	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:3:3:	3:4:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCHH){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2{1|C<3>,2|H<1>}	C(C[5]C[5]2)(CH3)(H)2	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	120.4830	0.000	1	120.4830	0.000	1	120.4830	0.000	1	120.4830	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:4:1:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	118.9370	0.000	1	118.9370	0.000	1	118.9370	0.000	1	118.9370	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:4:4:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	B[4,5]-4:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]S[4,5]C[6a])(C[5]B[4,5]CC)(CH3)	C[5](B[4,5]S[4,5]C[6a]C[4])(C[5]C[5]C)(CH3)2	C(C[5]C[5]2)(H)3	C[5](C[5]S[4,5]C[6a])(C[5]B[4,5]CC)(CH3){5|C<3>}	C[5](B[4,5]S[4,5]C[6a]C[4])(C[5]C[5]C)(CH3)2{5|C<3>}	C(C[5]C[5]2)(H)3	118.8780	0.000	1	118.8780	0.000	1	118.8780	0.000	1	121.1757	4.835	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:4:4:	3:1:1:1:	N[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2{1|B<4>,1|C<3>}	C(C[5]N[5,6]C[5])(H)3	121.3890	0.000	1	122.3245	1.750	2	122.3245	1.750	2	121.1757	4.835	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:4:4:	3:1:1:1:	N[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2	C(C[5]N[5,6]C[5])(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2{1|B<4>,1|C<3>}	C(C[5]N[5,6]C[5])(H)3	123.2600	0.000	1	122.3245	1.750	2	122.3245	1.750	2	121.1757	4.835	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	3:4:4:	4:3:4:4:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C-3:H-1:H-1:	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH)	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3)	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH){1|C<3>,1|H<1>,2|O<2>}	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]2)(COO)(H)2	120.7497	2.652	3	120.7497	7.032	3	120.7497	7.032	3	120.7497	7.032	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:2:4:4:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5])(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3){1|C<3>}	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5])(H)3	127.2100	0.000	1	126.4055	1.294	2	126.4055	1.294	2	126.4055	1.294	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:2:4:4:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5])(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3){1|C<4>}	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5])(H)3	125.6010	0.000	1	126.4055	1.294	2	126.4055	1.294	2	126.4055	1.294	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:1:1:	3:4:1:1:	C[5]-4:S[5]-2:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N-4:H-1:H-1:	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN)	C[5](C[5]C[5]H)(C[5]S[5]C)(H)2	C(C[5]C[5]S[5])(NH3)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN){2|H<1>}	C[5](C[5]C[5]H)(C[5]S[5]C)(H)2{1|H<1>}	C(C[5]C[5]S[5])(NH3)(H)2	124.2910	0.000	1	124.2910	0.000	1	124.2910	0.000	1	124.2910	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:1:1:	3:4:4:4:	C[5]-4:S[5]-2:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)2	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	C[5](C[5]C[5,6a]HH)(S[5]C[5,6a])(CC3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)2{1|H<1>,2|C<3>}	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	121.3340	0.000	1	121.3340	0.000	1	121.3340	0.000	1	121.3340	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:2:2:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-2:O-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH){1|C<3>}	C(C[5]C[5]N[5])(H)3	122.2250	0.000	1	122.2250	0.000	1	122.2250	0.000	1	122.2250	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:2:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:O-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	125.6795	1.682	2	125.6795	2.830	2	125.6795	2.830	2	125.6795	2.830	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:3:2:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:N-3:C-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)(CN)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)(CN){1|C<3>}	C(C[5]C[5]N[5])(H)3	123.7840	0.000	1	123.7840	0.000	1	123.7840	0.000	1	123.7840	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:3:3:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<3>}	C(C[5]C[5]N[5])(H)3	124.6850	0.000	1	124.6223	0.095	3	124.6095	0.064	4	124.2865	0.348	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:3:3:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<4>}	C(C[5]C[5]N[5])(H)3	124.5910	0.429	2	124.6223	0.095	3	124.6095	0.064	4	124.2865	0.348	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:3:3:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NHO)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NHO){1|C<3>}	C(C[5]C[5]N[5])(H)3	124.5710	0.000	1	124.5710	0.000	1	124.6095	0.064	4	124.2865	0.348	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:3:3:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5a]-3:C[5]-3:C[5]-3:N-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5a]C[5]N)(N[5]N[5])(CH3)	C[5](C[5a]C[5a]2)(C[5]N[5]C)(C[5]N[5]O)(NCH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]C[5]N)(N[5]N[5])(CH3){1|O<1>,3|C<3>}	C[5](C[5a]C[5a]2)(C[5]N[5]C)(C[5]N[5]O)(NCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C(C[5]C[5]N[5])(H)3	123.6405	0.544	2	123.6405	0.296	2	123.6405	0.296	2	124.2865	0.348	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:3:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3){1|O<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	C(C[5]C[5]N[5])(H)3	123.8550	0.000	1	123.8550	0.000	1	124.6840	1.374	2	124.6840	1.374	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:3:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3){1|N<2>,1|O<1>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[5]C[5]N[5])(H)3	125.5130	0.000	1	125.5130	0.000	1	124.6840	1.374	2	124.6840	1.374	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:2:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH){1|C<4>}	C(C[5]C[5]N[5])(H)3	124.3760	0.000	1	124.3760	0.000	1	124.3275	0.005	2	125.0060	1.383	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:2:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH){1|C<3>}	C(C[5]C[5]N[5])(H)3	124.2790	0.000	1	124.2790	0.000	1	124.3275	0.005	2	125.0060	1.383	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:2:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:S-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CS)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a])	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CS)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a]){1|C<3>}	C(C[5]C[5]N[5])(H)3	126.3630	0.000	1	126.3630	0.000	1	126.3630	0.000	1	125.0060	1.383	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:3:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(COO){1|C<4>}	C(C[5]C[5]N[5])(H)3	124.0640	0.000	2	124.0640	0.000	2	124.0640	0.000	2	124.7110	0.392	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:3:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<3>}	C(C[5]C[5]N[5])(H)3	125.2340	0.000	1	125.2340	0.000	1	125.1423	0.086	3	124.7110	0.392	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:3:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO){1|C<3>}	C(C[5]C[5]N[5])(H)3	125.0965	0.398	2	125.0965	0.158	2	125.1423	0.086	3	124.7110	0.392	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	122.6850	0.000	1	122.6850	0.000	1	122.6378	0.028	5	124.9021	2.357	30	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)2{1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	122.3650	0.000	1	122.3650	0.000	1	122.6378	0.028	5	124.9021	2.357	30	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	122.7130	0.091	3	122.7130	0.008	3	122.6378	0.028	5	124.9021	2.357	30	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3){1|C<3>}	C(C[5]C[5]N[5])(H)3	124.6075	1.724	4	124.6075	2.973	4	125.3550	1.562	25	124.9021	2.357	30	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH){1|C<3>}	C(C[5]C[5]N[5])(H)3	127.6380	0.000	1	127.6380	0.000	1	125.3550	1.562	25	124.9021	2.357	30	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<3>}	C(C[5]C[5]N[5])(H)3	126.1524	0.615	10	126.1524	0.378	10	125.3550	1.562	25	124.9021	2.357	30	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<3>}	C(C[5]C[5]N[5])(H)3	124.8928	1.049	4	124.8928	1.101	4	125.3550	1.562	25	124.9021	2.357	30	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>}	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]N[5])(H)3	124.2370	0.588	2	124.4518	0.463	6	125.3550	1.562	25	124.9021	2.357	30	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|Pd<4>,1|C<4>}	C[5](C[5]N[5]C)2(CH3)2{1|Pd<4>}	C(C[5]C[5]N[5])(H)3	124.5593	0.781	4	124.4518	0.463	6	125.3550	1.562	25	124.9021	2.357	30	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:3:4:4:	3:2:1:1:	C[5]-4:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C-2:H-1:H-1:	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]C)(CH3)2	C(C[5]C[5]O[5])(CN)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]C)(CH3)2{1|H<1>}	C(C[5]C[5]O[5])(CN)(H)2	113.7120	0.000	1	113.7120	0.000	1	113.7120	0.000	1	113.7120	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	3:4:3:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:F-1:F-1:F-1:	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CF3)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H)	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CF3){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]N[5]C)(H){2|C<3>,3|H<1>}	C(C[5]C[5]N[5])(F)3	124.5080	0.000	1	124.5080	0.000	1	124.5080	0.000	1	124.5080	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CH3)	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CH3){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C(C[5]C[5]N[5])(H)3	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1	123.4548	0.999	29	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2{1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	124.1460	0.000	1	123.6525	0.487	2	123.6525	0.487	2	123.4548	0.999	29	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6]HH)(N[5]N[5,6])(CH3){1|H<1>,2|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]C)(H)2{3|C<3>}	C(C[5]C[5]N[5])(H)3	123.1590	0.000	1	123.6525	0.487	2	123.6525	0.487	2	123.4548	0.999	29	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:F-1:F-1:F-1:	C[5](C[5]C[5]HH)(N[5]N[5])(CF3)	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5]HH)(N[5]N[5])(CF3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(C[5]N[5]C)(H)2{1|C<3>}	C(C[5]C[5]N[5])(F)3	124.9310	0.000	1	124.9310	0.000	1	124.9310	0.000	1	123.4548	0.999	29	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5,6])(CH3)	C[5](C[5]C[5,6]HH)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]C[5,6])(CH3){2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]C)(H)2{2|C<3>}	C(C[5]C[5]N[5])(H)3	121.7520	0.170	2	121.7520	0.029	2	123.4511	0.919	25	123.4548	0.999	29	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)	C[5](C[5]C[5]ReH)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]C[5])(CH3){1|Re<7>,1|C<4>,1|H<1>}	C[5](C[5]C[5]ReH)(C[5]N[5]C)(H)2{1|C<4>}	C(C[5]C[5]N[5])(H)3	121.5740	0.000	1	121.5740	0.000	1	123.4511	0.919	25	123.4548	0.999	29	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C[5](C[5]C[5a]N[5]H)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|H<1>,2|C<3>}	C[5](C[5]C[5a]N[5]H)(C[5]N[5]C)(H)2{1|O<2>,2|C<3>}	C(C[5]C[5]N[5])(H)3	123.9240	0.981	2	123.9240	0.963	2	123.4511	0.919	25	123.4548	0.999	29	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(H)2{3|C<3>}	C(C[5]C[5]N[5])(H)3	123.8378	0.605	6	123.8378	0.366	6	123.4511	0.919	25	123.4548	0.999	29	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5]O)(C[5]N[5]C)(H)2{3|C<3>}	C(C[5]C[5]N[5])(H)3	123.5578	0.619	5	123.5578	0.384	5	123.4511	0.919	25	123.4548	0.999	29	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2{1|C<3>}	C(C[5]C[5]N[5])(H)3	123.6503	1.028	3	123.4610	0.847	4	123.4511	0.919	25	123.4548	0.999	29	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|S<4>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]N[5]C)(H)2{1|S<4>}	C(C[5]C[5]N[5])(H)3	122.8930	0.000	1	123.4610	0.847	4	123.4511	0.919	25	123.4548	0.999	29	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C[5](C[5]N[5]CN)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]N[5]CN)(C[5]N[5]C)(H)2{1|C<3>}	C(C[5]C[5]N[5])(H)3	124.7120	0.000	1	124.7120	0.000	1	123.4511	0.919	25	123.4548	0.999	29	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]N[5])(CH3)	C[5](C[5]N[5]CO)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]N[5]CO)(C[5]N[5]C)(H)2{1|C<3>}	C(C[5]C[5]N[5])(H)3	123.4950	0.975	4	123.4950	0.952	4	123.4511	0.919	25	123.4548	0.999	29	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	3:4:1:1:	C[5]-4:S[5]-2:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N-4:H-1:H-1:	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN)	C[5](C[5]C[5]HH)(C[5]S[5]C)(H)2	C(C[5]C[5]S[5])(NH3)(H)2	C[5](C[5]C[5]HH)(S[5]C[5])(CHHN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]S[5]C)(H)2{2|H<1>}	C(C[5]C[5]S[5])(NH3)(H)2	124.4240	0.000	1	124.4240	0.000	1	124.4240	0.000	1	124.4240	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:1:1:	4:3:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]O[5])(CC[6]HH)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	C[5](C[5]C[5]HH)(N[5]O[5])(CC[6]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2{2|C<3>}	C(C[6]C[6,6]C[6]H)(C[5]C[5]N[5])(H)2	126.3700	0.000	1	126.3700	0.000	1	126.3700	0.000	1	126.3700	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:2:1:	3:2:1:1:	C[5]-4:O[5]-2:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:O-2:H-1:H-1:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)	C[5](C[5]C[5]HO)(C[5]O[5]C)(OSi)(H)	C(C[5]C[5]O[5])(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]C)(OSi)(H){1|H<1>,1|N<3>}	C(C[5]C[5]O[5])(OSi)(H)2	114.4480	0.000	1	114.4480	0.000	1	114.4480	0.000	1	114.4480	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:3:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-3:F-1:F-1:F-1:	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5,5])(CF3)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H)	C(C[5]C[5]N[5])(F)3	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5,5])(CF3){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5]N[5])(F)3	123.8250	0.000	1	123.8250	0.000	1	123.8250	0.000	1	123.7240	0.495	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:3:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]CH)(N[5]N[5,6])(CH3)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]C)(CCO)(H)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6]CH)(N[5]N[5,6])(CH3){1|H<1>,2|C<3>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]C)(CCO)(H){3|C<3>}	C(C[5]C[5]N[5])(H)3	124.2730	0.000	1	124.2730	0.000	1	124.2730	0.000	1	123.7240	0.495	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:3:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(N[5]O[5])(CH3)	C[5](C[5]O[5]CH)(C[5]N[5]C)(COO)(H)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CH)(N[5]O[5])(CH3){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]N[5]C)(COO)(H)	C(C[5]C[5]N[5])(H)3	123.9850	0.399	2	123.9850	0.159	2	123.9850	0.159	2	123.7240	0.495	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:3:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HN)(N[5]N[5])(CH3)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(NHS)(H)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HN)(N[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]C)(NHS)(H){1|C<4>,2|C<3>}	C(C[5]C[5]N[5])(H)3	122.5520	0.000	1	122.5520	0.000	1	122.5520	0.000	1	123.7240	0.495	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:3:2:	3:4:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]2O)(N[5]N[5])(CCHH)	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a])	C(C[5]C[5]N[5])(CCCH)(H)2	C[5](C[5]C[5]2O)(N[5]N[5])(CCHH){1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C(C[5]C[5]N[5])(CCCH)(H)2	124.4975	0.132	2	124.4975	0.017	2	124.4975	0.017	2	124.4975	0.017	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:3:3:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:C[5]-3:N-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]2N)(N[5]N[5])(CH3)	C[5](C[5]C[5,6a]C[5]F)(C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2N)(N[5]N[5])(CH3){1|F<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]F)(C[5]N[5]C)(C[5]N[5]O)(NC[6a]H){1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[5]N[5])(H)3	124.1780	0.000	1	124.1780	0.000	1	124.1780	0.000	1	124.1780	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:3:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]2C)(N[5]N[5])(CH3)	C[5](C[5]C[5]2C)(C[5]N[5]C)(C[5]N[5]O)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]2C)(N[5]N[5])(CH3){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5]2C)(C[5]N[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	125.9790	0.000	1	125.9790	0.000	1	125.9790	0.000	1	125.9790	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:4:1:	3:4:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(N[5]C[5,5])(CCHH)	C[5](C[5]C[5,5]CH)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5,5])(CCHH){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5]C)(CCHH)(H){2|C<3>}	C(C[5]C[5]N[5])(CCHH)(H)2	122.6030	0.000	1	122.6030	0.000	1	122.6030	0.000	1	122.6030	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	4:3:4:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(N[5]C[5])(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]C[5])(CH3){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>}	C(C[5]C[5]N[5])(H)3	123.0230	0.000	1	123.0230	0.000	1	123.0230	0.000	1	123.0230	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:2:4:	6:3:3:4:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5x3,5x5,20x6]-6:C[5,6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5x3,5x5,20x6]C[5,6a]C)(N[5]C[5,6a])(CH3)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5x3,5x5,20x6]C[5,6a]C)(N[5]C[5,6a])(CH3){1|C<6>,2|C<3>,4|B<6>}	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,5|B<6>,6|H<1>}	C(C[5]C[5]N[5])(H)3	123.6380	0.000	1	123.6380	0.000	1	123.6380	0.000	1	123.6380	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	121.2570	0.004	2	121.2570	0.000	2	121.2570	0.000	2	121.2570	0.000	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C-3:H-1:H-1:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C(C[5]C[5]2)(CCO)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,1|O<1>}	C(C[5]C[5]2)(CCO)(H)2	122.1310	0.000	1	122.1310	0.000	1	122.1310	0.000	1	122.1310	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCHH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|H<1>,1|O<1>}	C(C[5]C[5]2)(CC[6]HH)(H)2	121.2707	0.417	3	121.2707	0.174	3	121.2707	0.174	3	121.2707	0.174	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:2:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]HO)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2)(H)3	117.3280	0.000	1	117.3280	0.000	1	117.3280	0.000	1	117.3280	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:2:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2)(CC[6]HH)(H)2	121.1260	0.000	1	121.1260	0.000	1	120.2515	1.530	2	120.2515	1.530	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:2:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2)(CC[6]HH)(H)2	119.3770	0.000	1	119.3770	0.000	1	120.2515	1.530	2	120.2515	1.530	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:2:1:	3:4:2:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	123.6450	0.000	1	123.6450	0.000	1	122.4317	0.840	4	122.4317	0.840	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:2:1:	3:4:2:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H)	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	122.2210	0.000	1	122.2210	0.000	1	122.4317	0.840	4	122.4317	0.840	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:2:1:	3:4:2:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C[5](C[5]O[5]HO)(C[5]C[5]H)(CCHO){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	121.9305	0.708	2	121.9305	0.501	2	122.4317	0.840	4	122.4317	0.840	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:2:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:C-2:C-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(CN)2	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CN)2{1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	120.1355	0.936	2	120.1355	0.875	2	120.1355	0.875	2	120.1355	0.875	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	120.6330	0.546	2	120.6330	0.298	2	120.6330	0.298	2	120.6330	0.298	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:C-4:H-1:	C[5a]-3:C[5]-3:H-1:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C(C[5a]C[5a]2)(C[5]C[5]2)(H)2	123.6865	1.015	2	123.6865	1.030	2	123.6865	1.030	2	120.4197	32.531	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:4:1:	3:3:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C-3:H-1:H-1:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]N[5])(CC[6a]O)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH){1|O<1>}	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	C(C[5]C[5]N[5])(CC[6a]O)(H)2	113.8860	0.000	1	113.8860	0.000	1	113.8860	0.000	1	120.4197	32.531	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2)(CCHH)(H)2	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:4:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:P[5]-2:C-4:H-1:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]P[5]CH)(C[5]C[5]O)(CC3)	C[5](C[5]C[5]C)(P[5]C[5])(CC3)(H)	C(C[5]C[5]2)(CH3)3	C[5](C[5]P[5]CH)(C[5]C[5]O)(CC3){1|C<3>}	C[5](C[5]C[5]C)(P[5]C[5])(CC3)(H){1|C<3>,1|O<2>}	C(C[5]C[5]2)(CH3)3	124.2895	0.217	2	124.2895	0.047	2	124.2895	0.047	2	124.2895	0.047	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:4:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:O-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3){1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO){2|C<4>}	C(C[5]C[5]2)(H)3	123.7980	0.000	1	123.7980	0.000	1	123.7980	0.000	1	123.7980	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3){1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	122.6930	0.000	1	122.6930	0.000	1	122.6930	0.000	1	121.9980	0.966	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:2:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]O[5]CC)(C[5]C[5]S)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]2)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]S)(CH3){1|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<2>}	C(C[5]C[5]2)(H)3	121.3030	0.000	1	121.3030	0.000	1	121.3030	0.000	1	121.9980	0.966	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	121.5860	0.000	1	121.5860	0.000	1	121.8865	0.181	2	122.8160	12.043	13	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CH3){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)2{1|N<3>,3|C<3>}	C(C[5]C[5]2)(H)3	122.1870	0.000	1	122.1870	0.000	1	121.8865	0.181	2	122.8160	12.043	13	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]C[5]O)(H)2{1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	122.6260	0.000	1	122.6260	0.000	1	122.5753	0.016	3	122.8160	12.043	13	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<5>,1|H<1>}	C[5](C[5]C[5]C)2(H)2{1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	122.6680	0.000	1	122.6680	0.000	1	122.5753	0.016	3	122.8160	12.043	13	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>}	C(C[5]C[5]2)(H)3	122.4320	0.000	1	122.4320	0.000	1	122.5753	0.016	3	122.8160	12.043	13	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:F-1:F-1:F-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CF3)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C(C[5]C[5]2)(F)3	C[5](C[5]N[5]HH)(C[5]C[5]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C(C[5]C[5]2)(F)3	121.7400	0.000	1	121.7400	0.000	1	121.7400	0.000	1	122.8160	12.043	13	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C(C[5]C[5]2)(H)3	120.4130	0.000	1	119.9923	0.168	3	120.5440	0.656	5	122.8160	12.043	13	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	119.7820	0.267	2	119.9923	0.168	3	120.5440	0.656	5	122.8160	12.043	13	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>}	C(C[5]C[5]2)(H)3	121.3715	0.059	2	121.3715	0.003	2	120.5440	0.656	5	122.8160	12.043	13	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]B)(CH3)	C[5](C[5]N[5]C)2(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5]B)(CH3){1|C<4>,1|W<6>}	C[5](C[5]N[5]C)2(H)2{1|B<4>,1|W<6>}	C(C[5]C[5]N[5])(H)3	130.4950	0.000	1	130.4950	0.000	1	130.3245	0.058	2	122.8160	12.043	13	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]W)(CH3)	C[5](C[5]N[5]C)2(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]N[5]W)(CH3){1|B<4>,1|C<4>}	C[5](C[5]N[5]C)2(H)2{1|B<4>,1|W<6>}	C(C[5]C[5]N[5])(H)3	130.1540	0.000	1	130.1540	0.000	1	130.3245	0.058	2	122.8160	12.043	13	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]C)2(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)2(H)2{1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	120.9280	0.000	1	120.9280	0.000	1	120.9280	0.000	1	119.8063	0.991	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C-3:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C(C[5]C[5]2)(CCC)(H)2	118.5080	0.000	1	118.5080	0.000	1	119.1595	0.849	2	119.8063	0.991	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C-3:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C(C[5]C[5]2)(CCH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(CCH)(H)2	119.8110	0.000	1	119.8110	0.000	1	119.1595	0.849	2	119.8063	0.991	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]HH){1|O<1>,1|S<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	119.9780	0.000	1	119.9780	0.000	1	119.9780	0.000	1	119.8063	0.991	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-3:C-3:C-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(COO)2(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C(C[5]C[5]2)(COO)2(H)	124.2160	0.000	1	124.2160	0.000	1	124.2160	0.000	1	121.9875	9.932	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C-3:C-3:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C(C[5]C[5]2)(CCH)(COO)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCH){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C(C[5]C[5]2)(CCH)(COO)(H)	119.7590	0.000	1	119.7590	0.000	1	119.7590	0.000	1	121.9875	9.932	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5]-3:S-4:H-1:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CHHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(SC[6a]OO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CHHS){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C(C[5]C[5]2)(SC[6a]OO)(H)2	123.8180	0.000	1	123.8180	0.000	1	123.8180	0.000	1	122.9998	3.722	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH){2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{2|H<1>}	C(C[5]C[5]2)(CC[5]HH)(H)2	124.5680	0.102	2	124.5680	0.010	2	124.5680	0.010	2	122.9998	3.722	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	121.8800	0.000	1	121.8800	0.000	1	121.8800	0.000	1	122.9998	3.722	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(CC[6a]HN)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCHH){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C(C[5]C[5]2)(CC[6a]HN)(H)2	120.1650	0.000	1	120.1650	0.000	1	120.1650	0.000	1	122.9998	3.722	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]C)2(H)2	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(H)2{1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	116.5770	0.000	1	116.5770	0.000	1	122.7080	12.177	5	122.7080	12.177	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]B)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|B<3>,1|H<1>}	C[5](C[5]C[5]B)(C[5]C[5]C)(H)2{2|H<1>}	C(C[5]C[5]2)(CH3)3	125.3440	0.000	1	125.3440	0.000	1	122.7080	12.177	5	122.7080	12.177	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	123.8440	0.000	1	123.8440	0.000	1	122.7080	12.177	5	122.7080	12.177	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(H)2	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){2|C<4>}	C[5](C[5]C[5]C)2(H)2{1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	123.8875	0.310	2	123.8875	0.096	2	122.7080	12.177	5	122.7080	12.177	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:2:1:	3:4:2:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H)	C(C[5]C[5]2)(CC3)(OC)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OC)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2)(CC3)(OC)(H)	123.3650	0.273	2	123.3650	0.074	2	123.3650	0.074	2	123.3650	0.074	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:2:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:C-4:C-4:Br-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CBrCC)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H)	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CBrCC){1|O<1>,2|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	123.8120	0.000	1	123.8120	0.000	1	123.8120	0.000	1	123.8120	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:2:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-2:H-1:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]C[5]GaH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]C)2(GaGa)(H)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]GaH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)2(GaGa)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	120.5230	0.000	1	120.5230	0.000	1	124.6960	34.828	2	124.6960	34.828	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:2:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-2:H-1:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]C[5]GaH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(GaGa)(H)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]GaH)(C[5]C[5]H)(CC3){2|C<4>}	C[5](C[5]C[5]C)2(GaGa)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	128.8690	0.000	1	128.8690	0.000	1	124.6960	34.828	2	124.6960	34.828	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:2:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaC[5])(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaC[5])(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	123.3570	0.746	8	123.3570	0.557	8	123.4743	2.244	18	124.1227	3.135	24	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:2:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaMo)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaMo)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	123.2760	0.583	2	123.2760	0.339	2	123.4743	2.244	18	124.1227	3.135	24	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:2:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRh)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaRh)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	124.1975	0.144	2	124.1975	0.021	2	123.4743	2.244	18	124.1227	3.135	24	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:2:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRu)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaRu)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	123.4558	2.555	6	123.4558	6.530	6	123.4743	2.244	18	124.1227	3.135	24	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:2:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:In-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InRh)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(InRh)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	125.7175	0.184	4	125.7175	0.034	4	126.0680	0.739	6	124.1227	3.135	24	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:2:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:In-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InRu)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(InRu)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	126.7690	1.455	2	126.7690	2.118	2	126.0680	0.739	6	124.1227	3.135	24	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NHS)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]H)(CH3){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NHS)(H){1|H<1>,3|C<3>}	C(C[5]C[5]2)(H)3	122.4790	0.000	1	122.4790	0.000	1	122.4790	0.000	1	122.1452	2.830	20	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]C)(CH3){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5]2)(H)3	122.0590	0.000	1	122.0590	0.000	1	122.0590	0.000	1	122.1452	2.830	20	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5]2)(H)3	121.7830	0.000	1	121.1165	0.407	4	121.1165	0.407	4	122.1452	2.830	20	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C(C[5]C[5]2)(H)3	120.8943	0.561	3	121.1165	0.407	4	121.1165	0.407	4	122.1452	2.830	20	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:As-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(AsC[5]2)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(AsC[5]2)(H){2|C<4>}	C(C[5]C[5]2)(H)3	123.8670	0.917	6	123.8670	0.842	6	123.8670	0.842	6	122.1452	2.830	20	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2)(H)3	119.5690	0.000	1	119.5690	0.000	1	119.5690	0.000	1	122.1452	2.830	20	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)2(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)2(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	122.2325	0.572	2	122.2325	0.327	2	122.2325	0.327	2	122.1452	2.830	20	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:Cl-1:H-1:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(CClHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C(C[5]C[5]2)(Cl)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(CClHH){1|S<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C(C[5]C[5]2)(Cl)(H)2	118.7950	0.000	1	118.7950	0.000	1	118.7950	0.000	1	122.1452	2.830	20	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:F-1:F-1:F-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CF3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]S)(H)	C(C[5]C[5]2)(F)3	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CF3){1|S<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]S)(H){2|H<1>,3|C<3>}	C(C[5]C[5]2)(F)3	121.9320	0.000	1	121.9320	0.000	1	121.9320	0.000	1	122.1452	2.830	20	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CH3){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[5]2)(H)3	119.7190	0.000	1	119.7190	0.000	1	119.7190	0.000	1	122.1452	2.830	20	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si[4]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2)(C[5]C[5]C)2(H)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	C[5](Si[4]N[4]2)(C[5]C[5]C)2(H){1|C<3>,4|C<4>}	C(C[5]C[5]2)(H)3	123.1090	0.450	2	123.1090	0.202	2	123.1090	0.202	2	122.1452	2.830	20	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Br)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Br)(CCHH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,3|H<1>,4|C<3>}	C(C[5]C[5]2)(CCHH)(H)2	122.3720	0.000	1	122.3720	0.000	1	122.4080	0.003	2	121.7160	0.913	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C(C[5]C[5]2)(CHHO)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(CCHH){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,5|C<3>}	C(C[5]C[5]2)(CHHO)(H)2	122.4440	0.000	1	122.4440	0.000	1	122.4080	0.003	2	121.7160	0.913	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]C)(N[5]C[5]S)(CCN)(H)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(CCHH){1|S<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(CCN)(H){3|H<1>}	C(C[5]C[5]2)(CH3)(H)2	120.1030	0.000	1	120.1030	0.000	1	120.1030	0.000	1	121.7160	0.913	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(H)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCHH){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)2(H){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C(C[5]C[5]2)(CH3)(H)2	121.8305	0.251	2	121.8305	0.063	2	121.8305	0.063	2	121.7160	0.913	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]C[5a]C[5]H)(C[5]C[5,5]H)(CC3)	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]O)(C[5]C[5]C)(H)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5a]C[5]H)(C[5]C[5,5]H)(CC3){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5,5]O)(C[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5]2)(CH3)3	122.6710	0.000	1	122.6710	0.000	1	122.6710	0.000	1	122.6710	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(O[5]C[5])	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CH3){5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(O[5]C[5]){1|C<2>,4|H<1>,5|C<3>}	C(C[5]C[5]2)(H)3	123.0653	0.196	3	123.0653	0.038	3	123.0653	0.038	3	123.0653	0.038	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:2:	3:2:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-3:O-2:	C[5]-3:O-2:H-1:H-1:	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCO)(OH)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(CHHO){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CCO)(OH){1|C<4>,1|O<1>}	C(C[5]C[5]2)(OH)(H)2	119.2550	0.000	1	119.2550	0.000	1	119.2550	0.000	1	119.2550	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:2:	3:3:2:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[6a]-3:C[5]-3:S-2:H-1:	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(SC)	C(C[6a]C[6a]2)(C[5]C[5]2)(SC)(H)	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(SC){3|H<1>,5|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(SC)(H)	119.3870	0.590	2	119.3870	0.348	2	119.3870	0.348	2	119.3870	0.348	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:2:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[6]-3:N[5]-3:C[5]-3:O-2:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]C[6]N[5]O)(C[5]C[5]H)(CC3)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]C[5]C)(OO)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[6]N[5]O)(C[5]C[5]H)(CC3){1|Pt<6>,1|C<3>,1|C<4>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]C[5]C)(OO){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5]2)(CH3)3	126.8805	0.165	2	126.8805	0.027	2	126.8805	0.027	2	126.8805	0.027	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(CH3){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO){1|Cl<1>,2|C<3>,4|H<1>}	C(C[5]C[5]2)(H)3	122.1590	0.000	1	121.7150	0.394	2	121.7150	0.394	2	121.7150	0.394	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(CH3){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO){2|C<3>,5|H<1>}	C(C[5]C[5]2)(H)3	121.2710	0.000	1	121.7150	0.394	2	121.7150	0.394	2	121.7150	0.394	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	N[5,6]-3:C[5]-3:C-3:C-3:	C[5]-3:C-3:H-1:H-1:	C[5](C[5]N[5,6]CC)(C[5]C[5,6]H)(CCHH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(COO)2	C(C[5]C[5]2)(COO)(H)2	C[5](C[5]N[5,6]CC)(C[5]C[5,6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(COO)2{1|C<3>,1|C<4>,4|H<1>}	C(C[5]C[5]2)(COO)(H)2	123.4580	0.000	1	123.4580	0.000	1	123.4580	0.000	1	123.4580	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	B[5,5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]B[5,5]C[6a]C)(C[5]C[5,5]C)(CH3)	C[5](B[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]B[5,5]C[6a]C)(C[5]C[5,5]C)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[5](B[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>,4|C<4>}	C(C[5]C[5]2)(H)3	117.6170	0.000	1	117.6170	0.000	1	117.6170	0.000	1	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:As-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(AsWW)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(AsWW)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	124.0410	1.776	4	124.0410	3.155	4	124.0410	3.155	4	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:B-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(BC[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(BC[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	123.0210	0.878	8	123.0210	0.771	8	123.1086	0.789	12	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:B-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(BC[5]Cl)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(BC[5]Cl)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	123.2837	1.017	4	123.2837	1.033	4	123.1086	0.789	12	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CC[6a]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CC[6a]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	122.4580	0.515	2	122.4580	0.265	2	123.3120	1.185	4	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CPtO)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CPtO)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	124.1660	0.610	2	124.1660	0.372	2	123.3120	1.185	4	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaC[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaC[5]C)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	123.7160	1.336	4	123.7160	1.784	4	123.4133	0.680	12	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	123.2168	0.389	4	123.2168	0.151	4	123.4133	0.680	12	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRu2)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaRu2)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	123.3072	0.608	4	123.3072	0.370	4	123.4133	0.680	12	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:N-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(NLaN)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(NLaN)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	122.1000	0.208	2	122.1000	0.043	2	121.9263	0.112	3	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:N-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2)(H)3	121.5790	0.000	1	121.5790	0.000	1	121.9263	0.112	3	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:O-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(OZn2)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(OZn2)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	120.9968	0.507	4	120.9968	0.257	4	120.9968	0.257	4	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:P[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(P[5]C[5]2)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C[5](C[5]C[5]C)2(P[5]C[5]2)(CH3){2|C<4>,4|C<3>}	C(C[5]C[5]2)(H)3	122.4025	0.460	2	122.4025	0.212	2	123.1042	0.727	4	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:P[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(P[5]N[5]2)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	C[5](C[5]C[5]C)2(P[5]N[5]2)(CH3){2|C<4>,4|C<3>}	C(C[5]C[5]2)(H)3	123.8060	0.013	2	123.8060	0.000	2	123.1042	0.727	4	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Si-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(SiC[5]Si)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(SiC[5]Si)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	122.6035	0.094	2	122.6035	0.009	2	122.2385	0.113	6	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Si-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(SiSiN)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(SiSiN)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	122.0560	0.227	4	122.0560	0.052	4	122.2385	0.113	6	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5a]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|N<3>,1|S<1>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C(C[5]C[5]2)(H)3	119.4760	0.000	1	119.4760	0.000	1	119.4760	0.000	1	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Ga[3]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3){4|C<4>}	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3){2|C<3>,4|C<4>}	C(C[5]C[5]2)(H)3	122.3975	0.334	2	122.3975	0.112	2	122.3975	0.112	2	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[5,5]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3)	C[5](P[5,5]P[3,5,5]C[4x5])(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,3|C<4>}	C[5](P[5,5]P[3,5,5]C[4x5])(C[5]C[5]C)2(CH3){1|Mo<6>,1|H<1>,6|C<4>}	C(C[5]C[5]2)(H)3	123.1585	0.501	2	123.1585	0.251	2	123.1585	0.251	2	122.7544	1.890	55	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH){1|H<1>,2|C<4>}	C(C[5]C[5]2)(CH3)(H)2	121.2420	0.000	1	120.8660	0.283	2	120.8660	0.283	2	120.8660	0.283	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:3:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH){3|C<4>}	C(C[5]C[5]2)(CH3)(H)2	120.4900	0.000	1	120.8660	0.283	2	120.8660	0.283	2	120.8660	0.283	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3){2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|C<3>,3|C<4>}	C(C[5]C[5]2)(H)3	122.1720	0.000	1	122.1720	0.000	1	122.0196	0.401	5	123.0596	1.837	26	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3){1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|H<1>,4|C<4>}	C(C[5]C[5]2)(H)3	121.9815	0.725	4	121.9815	0.525	4	122.0196	0.401	5	123.0596	1.837	26	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5]2)(H)3	121.6950	0.239	2	121.6950	0.057	2	121.6950	0.057	2	123.0596	1.837	26	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC[5]CC)(H){2|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	122.0263	0.108	3	122.0263	0.012	3	122.0263	0.012	3	123.0596	1.837	26	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|P<4>}	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H){2|C<4>}	C(C[5]C[5]2)(H)3	121.1160	0.000	1	121.1160	0.000	1	122.8540	2.735	4	123.0596	1.837	26	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CC[5]2C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CC[5]2C)(H){2|C<4>}	C(C[5]C[5]2)(H)3	124.2090	0.752	2	124.2090	0.566	2	122.8540	2.735	4	123.0596	1.837	26	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3)(H){2|C<4>}	C(C[5]C[5]2)(H)3	121.8820	0.000	1	121.8820	0.000	1	122.8540	2.735	4	123.0596	1.837	26	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Si-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(SiCCN)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(SiCCN)(H){2|C<4>}	C(C[5]C[5]2)(H)3	124.2120	0.434	2	124.2120	0.188	2	124.4171	0.042	10	123.0596	1.837	26	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Si-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(SiSiCC)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiH)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(SiSiCC)(H){2|C<4>}	C(C[5]C[5]2)(H)3	124.4684	0.107	8	124.4684	0.011	8	124.4171	0.042	10	123.0596	1.837	26	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>}	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)(H){2|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	120.9220	0.000	1	120.9220	0.000	1	122.1980	3.256	2	123.0596	1.837	26	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C(C[5]C[5]2)(H)3	123.4740	0.000	1	123.4740	0.000	1	122.1980	3.256	2	123.0596	1.837	26	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:3:3:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C)	C[5](C[5]C[5]C)2(CH3)(H)	C(C[5]N[5]O[5])2(C[5]C[5]2)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C){2|C<4>}	C[5](C[5]C[5]C)2(CH3)(H){2|C<4>}	C(C[5]N[5]O[5])2(C[5]C[5]2)(CH3)	123.0510	0.000	1	123.0510	0.000	1	123.0510	0.000	1	123.0510	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:Si-4:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SiC3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2)(CH3)(H)2	123.4680	0.000	1	123.4680	0.000	1	123.4680	0.000	1	122.1080	1.570	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>}	C(C[5]C[5]2)(CH3)(H)2	121.0010	0.000	1	121.0010	0.000	1	121.0010	0.000	1	122.1080	1.570	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]N[5]CH)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)(H)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C[5](C[5]N[5]CH)(C[5]N[5]C)(CCHH){2|C<3>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]2)(CC[6a]HH)(H)2	121.8550	0.000	1	121.8550	0.000	1	121.8550	0.000	1	122.1080	1.570	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	P[5,5]-3:C[5]-3:C-4:H-1:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]P[5,5]CH)(C[5]P[5,5]O)(CC3)	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(CC3)(H)	C(C[5]C[5]2)(CH3)3	C[5](C[5]P[5,5]CH)(C[5]P[5,5]O)(CC3){1|C<3>,1|C<4>}	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(CC3)(H){1|C<3>,1|C<4>,2|O<2>}	C(C[5]C[5]2)(CH3)3	122.5380	0.000	2	122.5380	0.000	2	122.5380	0.000	2	122.5380	0.000	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:1:	4:3:2:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)(H){1|C<3>}	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	116.0470	0.000	1	116.0470	0.000	1	116.0470	0.000	1	116.0470	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]N[5]CO)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCHH)(OH)	C(C[5]C[5]2)(H)3	C[5](C[5]N[5]CO)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CCHH)(OH){1|O<1>,1|O<2>}	C(C[5]C[5]2)(H)3	121.1010	0.000	1	121.1010	0.000	1	121.1010	0.000	1	121.1010	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:3:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(CCH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3)(CCH){2|C<4>}	C(C[5]C[5]2)(H)3	121.1905	0.460	2	121.1905	0.212	2	121.7502	0.489	4	122.7053	1.451	8	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:3:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(CNO)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3)(CNO){2|C<4>}	C(C[5]C[5]2)(H)3	122.3100	0.024	2	122.3100	0.001	2	121.7502	0.489	4	122.7053	1.451	8	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:3:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:P-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(PIP)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CH3)(PIP){2|C<4>}	C(C[5]C[5]2)(H)3	123.6603	0.682	4	123.6603	0.466	4	123.6603	0.466	4	122.7053	1.451	8	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CSmOO)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(CSmOO)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	122.4650	0.134	2	122.4650	0.018	2	122.4650	0.018	2	124.3118	1.692	36	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaCl2Rh)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaCl2Rh)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	123.6385	1.785	2	123.6385	3.188	2	124.0417	1.166	6	124.3118	1.692	36	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRu3)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaRu3)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	124.2433	0.848	4	124.2433	0.719	4	124.0417	1.166	6	124.3118	1.692	36	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:Ga-4:Si-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaCl3)(SiCCN)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaSi)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(GaCl3)(SiCCN){2|C<4>}	C(C[5]C[5]2)(H)3	125.2925	0.385	4	125.2925	0.148	4	125.2925	0.148	4	124.3118	1.692	36	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:In-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InCl2Rh)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(InCl2Rh)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	123.9240	0.306	4	123.9240	0.094	4	123.9240	0.094	4	124.3118	1.692	36	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:In-4:Si-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InBr3)(SiCCN)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]InSi)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(InBr3)(SiCCN){2|C<4>}	C(C[5]C[5]2)(H)3	124.7880	0.385	4	124.7880	0.148	4	124.7880	0.148	4	124.3118	1.692	36	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:P-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(PCOW)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(PCOW)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	123.4615	0.591	4	123.4615	0.349	4	123.2122	0.366	6	124.3118	1.692	36	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:P-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(PHOW)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C[5](C[5]C[5]C)2(PHOW)(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	122.7135	0.196	2	122.7135	0.038	2	123.2122	0.366	6	124.3118	1.692	36	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]N[5])(H)3	124.8973	0.785	6	124.8973	0.617	6	125.0411	0.521	8	124.3118	1.692	36	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5]N[5])(H)3	125.4725	0.260	2	125.4725	0.067	2	125.0411	0.521	8	124.3118	1.692	36	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3){1|C<3>,1|O<3>}	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]N[5])(H)3	128.4500	0.000	1	128.4500	0.000	1	125.2125	20.963	2	124.3118	1.692	36	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5])(H)3	121.9750	0.000	1	121.9750	0.000	1	125.2125	20.963	2	124.3118	1.692	36	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:2:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:O-2:H-1:H-1:	C[5](C[5]N[5]CC)(C[5]C[5]S)(CHHO)	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]S)(CHHO){1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|S<2>,2|C<4>}	C(C[5]C[5]2)(OH)(H)2	120.8690	0.000	1	120.8690	0.000	1	120.8690	0.000	1	120.8690	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]2)(CH3)(H)2	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	123.9050	9.368	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:4:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CC)(N[5]N[5]Pd)(CCHH)	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C[5](C[5]C[5]CC)(N[5]N[5]Pd)(CCHH){1|C<4>}	C[5](C[5]N[5]C)2(CH3)2{1|Pd<4>}	C(C[5]C[5]N[5])(CC[5]HH)(H)2	124.6550	2.956	4	124.6550	8.741	4	124.6550	8.741	4	123.9050	9.368	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C-4:C-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|H<1>,1|O<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	123.0850	0.000	1	122.9590	0.032	2	122.8163	0.077	3	122.8163	0.077	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C-4:C-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|O<1>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){3|H<1>}	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	122.8330	0.000	1	122.9590	0.032	2	122.8163	0.077	3	122.8163	0.077	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:3:4:4:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C-4:C-4:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]C)2(CCHH)(CH3)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)2(CCHH)(CH3){1|O<1>,1|O<2>}	C(C[5]C[5]2)(CH3)2(H)	122.5310	0.000	1	122.5310	0.000	1	122.8163	0.077	3	122.8163	0.077	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]H)(CH3){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]C[5]C)(H){1|H<1>,2|C<4>,5|C<3>}	C(C[5]C[5]2)(H)3	123.7535	0.124	2	123.7535	0.015	2	123.7535	0.015	2	121.1896	5.349	11	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:Si[5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6a]Si[5]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6a]Si[5]H)(C[5]C[5,6a]H)(CH3){1|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]2C)(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C(C[5]C[5]2)(H)3	123.3100	0.000	1	123.3100	0.000	1	123.3100	0.000	1	121.1896	5.349	11	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C[6])(CH3)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5a]C[5]H)(C[5]C[5]C[6])(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(C[5]C[5]2)(H)3	117.3945	0.803	2	117.3945	0.644	2	117.3945	0.644	2	121.1896	5.349	11	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CH3){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]C[5]C)(H){1|O<2>,3|C<3>,3|H<1>}	C(C[5]C[5]2)(H)3	120.8300	0.000	1	120.8300	0.000	1	121.6266	0.508	5	121.1896	5.349	11	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	121.4820	0.000	1	121.4820	0.000	1	121.6266	0.508	5	121.1896	5.349	11	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	121.6735	0.808	2	121.6735	0.653	2	121.6266	0.508	5	121.1896	5.349	11	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CH3){1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(H){1|S<4>,2|C<3>,3|H<1>}	C(C[5]C[5]2)(H)3	122.4740	0.000	1	122.4740	0.000	1	121.6266	0.508	5	121.1896	5.349	11	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:S[5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(S[5]C[5]OO)(C[5]C[5]C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CH3){2|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(S[5]C[5]OO)(C[5]C[5]C)(H){3|C<3>,3|H<1>}	C(C[5]C[5]2)(H)3	119.3470	0.000	1	119.3470	0.000	1	119.3470	0.000	1	121.1896	5.349	11	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:4:3:1:	3:2:1:1:	C[5]-4:N[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O-2:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CHHO)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	C(C[5]C[5]N[5])(OC)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CHHO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5])(OC)(H)2	128.3560	0.000	1	128.3560	0.000	1	128.3560	0.000	1	128.3560	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:2:1:	C[5]-4:N[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C-3:O-2:H-1:	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CCHO)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H)	C(C[5]C[5]N[5])(COO)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CCHO){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5])(COO)(OH)(H)	126.1350	0.000	1	126.1350	0.000	1	126.1350	0.000	1	126.1350	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:C[6]-4:C[5]-3:H-1:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(CC3)	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)(H)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(CC3){2|H<1>,6|C<4>}	C[5](C[5]C[5]C[6])(C[6]C[6]2H)(C[5]C[5]C)(H){5|H<1>,6|C<4>}	C(C[5]C[5]2)(CH3)3	122.9310	0.371	2	122.9310	0.137	2	122.9310	0.137	2	122.9310	0.137	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:4:3:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[5]2)(H)3	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	3:4:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(CH3){1|O<1>,3|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	122.1360	0.000	1	122.1360	0.000	1	122.1360	0.000	1	122.1360	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5]2)(H)3	120.1420	0.000	1	120.1420	0.000	1	118.9117	1.420	3	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5]3)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5]2)(H)3	118.2965	0.754	2	118.2965	0.569	2	118.9117	1.420	3	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:Cl-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6,6]ClH)(C[5]C[5,6,6]H)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(Cl)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6,6]ClH)(C[5]C[5,6,6]H)(CH3){2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	121.3200	0.000	1	121.3200	0.000	1	121.3200	0.000	1	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]H)(CH3){1|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	120.9060	0.634	2	120.9060	0.401	2	120.9060	0.401	2	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3){1|Cr<9>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2{1|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	121.0903	0.636	3	121.0903	0.405	3	122.1124	2.030	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C(C[5]C[5]2)(H)3	122.3340	0.000	1	122.3340	0.000	1	122.1124	2.030	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(H)2{2|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	124.1150	0.223	3	124.1150	0.050	3	122.1124	2.030	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	121.2313	1.036	6	121.2313	1.073	6	122.1124	2.030	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]C)(H)2{1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C(C[5]C[5]2)(H)3	123.1740	0.119	2	123.1740	0.014	2	122.1124	2.030	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C(C[5]C[5]2)(H)3	119.1370	0.000	1	119.5553	0.404	4	120.5049	1.469	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	120.0975	0.067	2	119.5553	0.404	4	120.5049	1.469	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]2)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C(C[5]C[5]2)(H)3	118.8890	0.000	1	119.5553	0.404	4	120.5049	1.469	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	120.1615	0.605	2	120.1615	0.366	2	120.5049	1.469	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	119.7440	0.000	1	119.7440	0.000	1	120.5049	1.469	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]TiN)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|Ti<10>,1|N<3>,2|H<1>}	C[5](C[5]C[5]TiN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	120.2005	0.097	2	120.2005	0.009	2	120.5049	1.469	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]2)(H)3	119.1560	0.000	1	119.1560	0.000	1	120.5049	1.469	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3){1|H<1>,3|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5]2)(H)3	120.7300	0.000	1	120.7300	0.000	1	120.5049	1.469	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	122.3290	0.000	1	122.3290	0.000	1	120.5049	1.469	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>}	C(C[5]C[5]2)(H)3	122.3600	0.000	1	122.2230	0.161	3	120.5049	1.469	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(H)3	122.5380	0.000	1	122.2230	0.161	3	120.5049	1.469	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<1>,1|O<2>}	C(C[5]C[5]2)(H)3	121.7710	0.000	1	122.2230	0.161	3	120.5049	1.469	15	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](Ge[5]C[5]2Cl)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|C<3>,2|H<1>}	C[5](Ge[5]C[5]2Cl)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,2|N<3>}	C(C[5]C[5]2)(H)3	115.6380	0.192	2	115.6380	0.037	2	115.6628	0.568	6	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](Ge[5]C[5]CN)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>,2|H<1>}	C[5](Ge[5]C[5]CN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	114.9820	0.516	2	114.9820	0.266	2	115.6628	0.568	6	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Ge[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3)	C[5](Ge[5]C[6a]C[5]2)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[5]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](Ge[5]C[6a]C[5]2)(C[5]C[5]C)(H)2{1|Fe<10>,2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	116.3685	0.781	2	116.3685	0.611	2	115.6628	0.568	6	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]P[5,6]HH)(C[5]C[5]C)(CH3)	C[5](P[5,6]C[5]C[6]N[6])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]P[5,6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>,2|H<1>}	C[5](P[5,6]C[5]C[6]N[6])(C[5]C[5]C)(H)2{1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5]2)(H)3	116.7473	0.486	6	116.7473	0.236	6	116.7473	0.236	6	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[5]-4:C[5]-3:Br-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]P[5]BrH)(C[5]C[5]C)(CH3)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]C)(Br)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]BrH)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[5](P[5]C[6a]C[5]O)(C[5]C[5]C)(Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	117.5235	0.241	2	117.5235	0.058	2	117.5235	0.058	2	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C[5](P[5]C[5]ClN)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|N<3>,2|H<1>}	C[5](P[5]C[5]ClN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	116.5100	0.778	2	116.5100	0.605	2	116.6529	1.780	9	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C[5](P[5]C[5]NN)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|N<2>,1|N<3>,2|H<1>}	C[5](P[5]C[5]NN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	116.0572	0.334	4	116.0572	0.112	4	116.6529	1.780	9	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3)	C[5](P[5]C[6a]C[5]Cl)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]C)(CH3){1|Cl<1>,1|C<3>,2|H<1>}	C[5](P[5]C[6a]C[5]Cl)(C[5]C[5]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	115.1330	0.000	1	115.1330	0.000	1	116.6529	1.780	9	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3)	C[5](P[5]C[6a]2C[5])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[5](P[5]C[6a]2C[5])(C[5]C[5]C)(H)2{1|B<4>,2|H<1>,4|C<3>}	C(C[5]C[5]2)(H)3	119.3630	0.000	1	119.3630	0.000	1	116.6529	1.780	9	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3)	C[5](P[5]C[6a]C[5]C)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]P[5]HH)(C[5]C[5]H)(CH3){1|B<3>,1|C<2>,1|C<3>}	C[5](P[5]C[6a]C[5]C)(C[5]C[5]C)(H)2{1|B<3>,1|H<1>,2|C<3>}	C(C[5]C[5]2)(H)3	118.1310	0.000	1	118.1310	0.000	1	116.6529	1.780	9	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	S[5]-4:C[5]-3:H-1:H-1:	C[5]-3:Br-1:H-1:H-1:	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH)	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(Br)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CBrHH){2|H<1>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]2)(Br)(H)2	118.7353	0.273	4	118.7353	0.075	4	118.7353	0.075	4	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	S[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]S[5]HH)(C[5]C[5]C)(CH3)	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]S[5]HH)(C[5]C[5]C)(CH3){2|H<1>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	117.4830	0.000	1	117.4830	0.000	1	117.4830	0.000	1	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Si[5,6]HH)(C[5]C[5]C)(CH3)	C[5](Si[5,6]C[5]N[6]2)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5,6]HH)(C[5]C[5]C)(CH3){2|H<1>,2|N<3>}	C[5](Si[5,6]C[5]N[6]2)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5]2)(H)3	116.0755	0.349	2	116.0755	0.122	2	116.0755	0.122	2	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3)	C[5](Si[5]C[5]NN)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3){2|H<1>,2|N<3>}	C[5](Si[5]C[5]NN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	116.7365	0.619	2	116.7365	0.383	2	116.0743	0.718	4	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3)	C[5](Si[5]C[5]SiN)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]Si[5]HH)(C[5]C[5]C)(CH3){1|Si<4>,1|N<3>,2|H<1>}	C[5](Si[5]C[5]SiN)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	115.4120	0.130	2	115.4120	0.017	2	116.0743	0.718	4	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]W)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]C[5]W)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|W<7>,2|H<1>}	C(C[5]C[5]N[5])(H)3	118.9250	0.000	1	118.9250	0.000	1	121.6724	7.101	5	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]Ge[5]N)(CH3)	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]Ge[5]N)(CH3){1|Te<1>,1|Te<2>,2|C<4>}	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2{1|Te<1>,1|Te<2>,1|N<3>}	C(C[5]C[5]N[5])(H)3	122.5020	3.328	2	122.3593	6.323	4	121.6724	7.101	5	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]Ge[5]N)(CH3)	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]HH)(N[5]Ge[5]N)(CH3){2|Te<1>,2|C<4>}	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2{2|Te<1>,1|N<3>}	C(C[5]C[5]N[5])(H)3	122.2165	2.795	2	122.3593	6.323	4	121.6724	7.101	5	119.1433	7.199	75	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:2:1:1:	C[5]-4:C[5]-3:C-4:	C[3,5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:O-2:H-1:H-1:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]H)(CHHO)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]C)(H)2	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]H)(CHHO){3|C<4>}	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]C)(H)2{3|H<1>,4|C<4>}	C(C[5]C[5]2)(OC)(H)2	121.3950	0.000	1	121.3950	0.000	1	121.3950	0.000	1	121.3950	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]2)(CCC)(H)2	122.4360	0.000	1	122.4360	0.000	1	122.4360	0.000	1	121.7558	2.103	8	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)2(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]HH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C(C[5]C[5]2)2(H)2	121.2960	0.000	1	121.2960	0.000	1	121.2960	0.000	1	121.7558	2.103	8	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(NC[6a]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHN){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C(C[5]C[5]2)(NC[6a]2)(H)2	122.0260	0.000	1	122.0260	0.000	1	122.0260	0.000	1	121.7558	2.103	8	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5a]HH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5a]HH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)2	122.2340	0.000	1	122.2340	0.000	1	122.2340	0.000	1	121.7558	2.103	8	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<2>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	121.4170	0.000	1	121.4170	0.000	1	122.4923	1.005	3	121.7558	2.103	8	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	123.0300	0.525	2	123.0300	0.275	2	122.4923	1.005	3	121.7558	2.103	8	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]N[5]HH)(C[5]B[5]H)(CC[6a]HH)	C[5](N[5]B[5]CC)(C[5]C[5]C)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(C[5]B[5]H)(CC[6a]HH){2|C<4>,2|H<1>}	C[5](N[5]B[5]CC)(C[5]C[5]C)(H)2{3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	118.5770	0.000	1	118.5770	0.000	1	118.5770	0.000	1	121.7558	2.103	8	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:2:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:O-2:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)(H)	119.5170	0.000	1	119.5170	0.000	1	119.5170	0.000	1	119.5170	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-3:N-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5a]HN)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(NCN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5a]HN){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(NCN)(H)	122.5030	0.000	1	122.5030	0.000	1	122.5030	0.000	1	122.5030	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	B[5]-3:C[5]-3:C-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CB[5]CH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CB[5]CH){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	120.7560	0.186	3	120.7560	0.035	3	120.7560	0.035	3	121.5507	2.550	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]CH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]CH){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	123.9350	0.000	1	123.9350	0.000	1	123.9350	0.000	1	121.5507	2.550	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	S[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]S[5]HH)(C[5]C[5]C)(CCHH)	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(CC[6a]HO)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CCHH){2|H<1>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(C[5]C[5]2)(CC[6a]HO)(H)2	119.0370	0.000	1	119.0370	0.000	1	119.0370	0.000	1	119.0370	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:2:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:O-2:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHO){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|H<1>}	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	122.7720	0.000	1	122.7720	0.000	1	122.7720	0.000	1	122.7720	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCCH)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CCCH){2|C<4>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]C)(H)2{1|O<2>,5|C<4>}	C(C[5]C[5]2)(CHHO)(CH3)(H)	120.0580	0.000	1	120.0580	0.000	1	120.0580	0.000	1	121.4554	1.071	9	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(CCHO)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C(C[5]C[5]2)(CCHO)(CH3)(H)	122.8925	0.190	2	122.8925	0.036	2	121.6301	0.910	8	121.4554	1.071	9	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|C<4>}	C(C[5]C[5]2)(CH3)2(H)	121.5550	0.212	2	121.5550	0.045	2	121.6301	0.910	8	121.4554	1.071	9	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	C(C[5]C[5]2)(CHHO)(CH3)(H)	120.6740	0.000	1	120.7167	0.227	3	121.6301	0.910	8	121.4554	1.071	9	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{3|C<4>}	C(C[5]C[5]2)(CHHO)(CH3)(H)	120.7380	0.672	2	120.7167	0.227	3	121.6301	0.910	8	121.4554	1.071	9	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(H)2{1|C<3>,2|C<4>}	C(C[5]C[5]2)(CH3)2(H)	121.9960	0.000	1	121.9960	0.000	1	121.6301	0.910	8	121.4554	1.071	9	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(CC[6,6]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C(CC[6,6]HH)(C[5]C[5]2)(H)2	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	119.4262	7.678	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	120.9550	0.000	1	120.9550	0.000	1	118.5980	7.401	3	119.4262	7.678	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CC[5]HH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	119.2180	0.000	1	119.2180	0.000	1	118.5980	7.401	3	119.4262	7.678	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	115.6210	0.000	1	115.6210	0.000	1	118.5980	7.401	3	119.4262	7.678	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5]CH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5]CH){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(H)2{1|C<3>,1|O<2>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	118.2620	0.000	1	118.2620	0.000	1	118.2620	0.000	1	118.2620	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]C)(OH)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CH3){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]C)(OH)(H){1|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	118.7650	0.129	2	118.7650	0.017	2	119.4477	0.651	4	120.6893	1.776	10	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OH)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OH)(H){1|C<4>,2|C<3>,2|O<1>}	C(C[5]C[5]2)(H)3	119.9390	0.000	1	119.9390	0.000	1	119.4477	0.651	4	120.6893	1.776	10	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]HO)(C[5]C[5]H)(CH3)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OC)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	120.3220	0.000	1	120.3220	0.000	1	119.4477	0.651	4	120.6893	1.776	10	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)(H){1|C<2>,1|C<3>,1|O<2>}	C(C[5]C[5]2)(H)3	121.6710	0.000	1	121.6710	0.000	1	121.0692	0.223	4	120.6893	1.776	10	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){3|C<4>}	C(C[5]C[5]2)(H)3	120.5790	0.000	1	120.5790	0.000	1	121.0692	0.223	4	120.6893	1.776	10	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CO)(C[5]C[5]C)(OH)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(H)3	121.0135	0.248	2	121.0135	0.062	2	121.0692	0.223	4	120.6893	1.776	10	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5]2)(H)3	121.8300	0.000	1	121.8300	0.000	1	121.8300	0.000	1	120.6893	1.776	10	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(CH3)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]C)(O[5]C[5])(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[6]O[5]H)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5]2)(H)3	122.9950	0.000	1	122.9950	0.000	1	122.9950	0.000	1	120.6893	1.776	10	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:2:1:	3:2:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:O-2:H-1:H-1:	C[5](C[5]C[5]HO)(C[5]C[5]H)(CHHO)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H)	C(C[5]C[5]2)(OC)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]H)(CHHO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(OC)(H){1|O<2>,2|H<1>}	C(C[5]C[5]2)(OC)(H)2	123.8490	0.000	1	123.8490	0.000	1	123.8490	0.000	1	123.8490	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:2:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CCCH)	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]C)(OC)(H)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,5]C)(CCCH){2|C<4>,2|O<2>}	C[5](C[5,5]C[5,5]C[5,6]O)(C[5]C[5]C)(OC)(H){1|O<2>,5|C<4>}	C(C[5]C[5]2)(CH3)2(H)	121.4460	0.000	1	121.4460	0.000	1	121.4460	0.000	1	121.4460	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:2:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-2:C-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CN)2{1|O<2>,2|C<3>}	C(C[5]C[5]2)(H)3	118.3690	0.000	1	118.3690	0.000	1	118.3690	0.000	1	118.3690	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:2:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5]2)(H)3	121.8270	0.000	1	121.8270	0.000	1	121.8270	0.000	1	121.8270	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CClC)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CClC)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	118.3750	1.153	2	118.3750	1.328	2	119.5447	4.769	3	121.5324	5.102	9	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]O)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){2|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]O)(H){3|H<1>}	C(C[5]C[5]2)(H)3	121.8840	0.000	1	121.8840	0.000	1	119.5447	4.769	3	121.5324	5.102	9	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	122.8400	1.220	2	122.6930	0.810	3	122.6930	0.810	3	121.5324	5.102	9	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	122.3990	0.000	1	122.6930	0.810	3	122.6930	0.810	3	121.5324	5.102	9	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]HN)(C[5]S[5]Br)(CH3)	C[5](C[5]S[5]HH)(C[5]C[5]C)(NOO)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]HN)(C[5]S[5]Br)(CH3){2|H<1>,2|O<1>}	C[5](C[5]S[5]HH)(C[5]C[5]C)(NOO)(H){1|Br<1>,2|O<1>}	C(C[5]C[5]2)(H)3	119.5750	0.000	1	119.5750	0.000	1	119.5750	0.000	1	121.5324	5.102	9	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si[4]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Ir)(C[5]C[5]C)2(H)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]H)(C[5]C[5]C)(CH3){1|Ir<6>,2|C<4>,2|N<3>}	C[5](Si[4]N[4]2Ir)(C[5]C[5]C)2(H){1|C<3>,4|C<4>}	C(C[5]C[5]2)(H)3	123.7520	0.287	2	123.7520	0.082	2	123.7520	0.082	2	121.5324	5.102	9	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:1:	3:2:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:O-2:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CHHO)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H)	C(C[5]C[5]2)(OH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(CHHO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)2(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5]2)(OH)(H)2	122.8605	0.308	2	122.8605	0.095	2	122.8605	0.095	2	122.8605	0.095	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-3:Si-4:H-1:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CSiHH)	C[5](C[5]C[5]N[6]C)(C[6a]C[6a]2)(C[5]C[5]C)(H)	C(C[5]C[5]2)(SiC3)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CSiHH){1|C<4>,1|N<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]N[6]C)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5]2)(SiC3)(H)2	123.0360	0.000	1	123.0360	0.000	1	123.0360	0.000	1	123.0360	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(CN)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(CN){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]2)(H)3	118.8900	0.000	1	118.8900	0.000	1	118.8900	0.000	1	118.8900	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:3:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN)(COO)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCN)(COO){3|H<1>}	C(C[5]C[5]2)(H)3	123.0010	0.000	1	123.0010	0.000	1	123.0010	0.000	1	123.0010	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:3:	3:3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-3:	C[6a]-3:C[5]-3:C-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]CH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]CH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)2{3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)(H)	122.1030	0.000	1	122.1030	0.000	1	122.1030	0.000	1	122.1030	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]2C)(C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]2C)(C[5]C[5]C)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[5]C[5]2)(H)3	124.1830	0.000	2	124.1830	0.000	2	124.1830	0.000	2	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Ga-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	123.5615	0.561	2	123.5615	0.314	2	123.5615	0.314	2	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Ga[3,3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[3,3]Ga[3,3]N[3]2)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Ga<4>,2|C<4>,2|N<3>}	C[5](Ga[3,3]Ga[3,3]N[3]2)(C[5]C[5]C)2(CH3){2|C<3>,3|C<4>}	C(C[5]C[5]2)(H)3	123.0240	0.502	2	123.0240	0.252	2	123.0240	0.252	2	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,1|C<3>,2|C<4>}	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,2|C<4>}	C(C[5]C[5]2)(H)3	124.1942	0.683	4	124.1942	0.466	4	123.4773	0.580	13	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,3|C<4>}	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,3|C<4>}	C(C[5]C[5]2)(H)3	123.1340	0.528	7	123.1340	0.279	7	123.4773	0.580	13	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|C<4>,3|N<3>}	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>,2|N<2>}	C(C[5]C[5]2)(H)3	123.2450	0.949	2	123.2450	0.900	2	123.4773	0.580	13	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Ga[6]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[6]As[4]N[6]2)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3){1|As<3>,2|C<4>,2|N<3>}	C[5](Ga[6]As[4]N[6]2)(C[5]C[5]C)2(CH3){2|As<2>,2|C<4>,4|C<3>}	C(C[5]C[5]2)(H)3	123.1865	0.783	2	123.1865	0.613	2	123.1865	0.613	2	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](PAs[5,6]HW)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	C[5](PAs[5,6]HW)(C[5]C[5]C)2(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	123.1430	1.220	2	123.1430	1.490	2	123.1430	1.490	2	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,4]O[3]Cr)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	C[5](P[3]C[3,4]O[3]Cr)(C[5]C[5]C)2(CH3){4|C<4>}	C(C[5]C[5]2)(H)3	122.7210	0.119	2	122.7210	0.014	2	122.0425	0.370	33	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,4]O[3]Mo)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	C[5](P[3]C[3,4]O[3]Mo)(C[5]C[5]C)2(CH3){4|C<4>}	C(C[5]C[5]2)(H)3	122.7330	0.000	1	122.7330	0.000	1	122.0425	0.370	33	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,4]O[3]W)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](P[3]C[3,4]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	C(C[5]C[5]2)(H)3	122.8215	0.274	2	122.8215	0.075	2	122.0425	0.370	33	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,5]O[3]W)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](P[3]C[3,5]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	C(C[5]C[5]2)(H)3	122.0623	0.471	4	122.0623	0.222	4	122.0425	0.370	33	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,6]O[3]W)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](P[3]C[3,6]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	C(C[5]C[5]2)(H)3	121.4005	0.270	6	121.4005	0.073	6	122.0425	0.370	33	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]N[3]W)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,1|W<6>,2|C<4>}	C[5](P[3]C[3]N[3]W)(C[5]C[5]C)2(CH3){1|N<2>,3|C<4>}	C(C[5]C[5]2)(H)3	122.6970	0.008	2	122.6970	0.000	2	122.0425	0.370	33	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	122.1710	0.170	2	121.8220	0.487	8	122.0425	0.370	33	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3){1|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	121.7057	0.781	6	121.8220	0.487	8	122.0425	0.370	33	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	122.1890	0.059	2	122.2217	0.138	6	122.0425	0.370	33	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3){1|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	122.2380	0.477	4	122.2217	0.138	6	122.0425	0.370	33	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]W)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](P[3]C[3]O[3]W)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]2)(H)3	121.8170	0.011	2	121.8170	0.000	2	122.0425	0.370	33	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[4,6]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3)	C[5](P[4,6]C[4,5,6]P[3,4,6]W)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,1|W<6>,3|C<4>}	C[5](P[4,6]C[4,5,6]P[3,4,6]W)(C[5]C[5]C)2(CH3){1|C<3>,1|W<6>,5|C<4>}	C(C[5]C[5]2)(H)3	123.0580	0.304	2	123.0580	0.092	2	123.0580	0.092	2	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	P[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3)	C[5](P[4]C[4]O[4]W)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	C[5](P[4]C[4]O[4]W)(C[5]C[5]C)2(CH3){2|H<1>,3|C<4>}	C(C[5]C[5]2)(H)3	122.3920	1.120	2	122.3920	1.255	2	122.3920	1.255	2	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](SiC[5]Cl2)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](SiC[5]Cl2)(C[5]C[5]C)2(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	123.8235	0.603	2	123.8235	0.364	2	124.1809	0.993	10	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](SiC[5]InC)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	C[5](SiC[5]InC)(C[5]C[5]C)2(CH3){2|C<4>}	C(C[5]C[5]2)(H)3	124.2703	1.086	8	124.2703	1.180	8	124.1809	0.993	10	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3){1|Si<4>,4|C<4>}	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3){2|C<4>,4|H<1>}	C(C[5]C[5]2)(H)3	122.6280	0.000	1	122.6280	0.000	1	122.6280	0.000	1	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2B)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|B<4>,2|C<4>,2|N<3>}	C[5](Si[4]N[4]2B)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C(C[5]C[5]2)(H)3	124.0078	0.853	4	124.0078	0.728	4	123.9621	0.310	14	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2S)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|S<1>,2|C<4>,2|N<3>}	C[5](Si[4]N[4]2S)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C(C[5]C[5]2)(H)3	124.0695	0.750	2	124.0695	0.563	2	123.9621	0.310	14	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Se)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Se<1>,2|C<4>,2|N<3>}	C[5](Si[4]N[4]2Se)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C(C[5]C[5]2)(H)3	123.9925	0.405	2	123.9925	0.164	2	123.9621	0.310	14	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Te)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Te<1>,2|C<4>,2|N<3>}	C[5](Si[4]N[4]2Te)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C(C[5]C[5]2)(H)3	124.0625	0.319	4	124.0625	0.102	4	123.9621	0.310	14	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Zn)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Zn<4>,2|C<4>,2|N<3>}	C[5](Si[4]N[4]2Zn)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C(C[5]C[5]2)(H)3	123.5325	0.609	2	123.5325	0.371	2	123.9621	0.310	14	123.0307	1.193	85	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]H)(CH3)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5]2)(CCHO)(H)2	122.8980	0.000	1	122.8980	0.000	1	122.2354	2.001	5	122.2354	2.001	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]2)(CCHO)(H)2	120.9325	0.910	2	121.4063	1.088	3	122.2354	2.001	5	122.2354	2.001	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5]2)(CCHO)(H)2	122.3540	0.000	1	121.4063	1.088	3	122.2354	2.001	5	122.2354	2.001	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CH3)	C(C[5]C[5]2)(CC[6]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCHH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CH3){1|O<2>,2|H<1>}	C(C[5]C[5]2)(CC[6]HH)(H)2	124.0600	0.000	1	124.0600	0.000	1	122.2354	2.001	5	122.2354	2.001	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	Ga-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]C[5]GaC)(C[5]C[5]H)(CC3)	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]C[5]GaC)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	130.2370	0.197	2	130.2370	0.039	2	130.2370	0.039	2	130.0213	0.055	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3)	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3){1|Cl<1>,2|Cl<2>,1|C<4>,1|H<1>}	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	129.8320	0.192	2	129.8320	0.037	2	129.9135	0.032	4	130.0213	0.055	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:3:4:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3)	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2)(CH3)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|I<1>,2|I<2>}	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(CH3)3	129.9950	0.184	2	129.9950	0.034	2	129.9135	0.032	4	130.0213	0.055	6	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(CH3){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCHH)(H){3|C<4>,3|H<1>}	C(C[5]C[5]2)(H)3	121.0720	0.000	1	121.0720	0.000	1	121.0720	0.000	1	120.9405	1.602	17	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Hf<9>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3)(H){4|C<4>}	C(C[5]C[5]2)(H)3	119.9370	0.895	2	119.9370	0.801	2	120.0992	0.369	8	120.9405	1.602	17	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Ti<8>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3)(H){4|C<4>}	C(C[5]C[5]2)(H)3	119.9960	0.000	1	119.9960	0.000	1	120.0992	0.369	8	120.9405	1.602	17	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Zr<9>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3)(H){4|C<4>}	C(C[5]C[5]2)(H)3	119.8505	0.660	2	119.8505	0.435	2	120.0992	0.369	8	120.9405	1.602	17	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|Cl<1>,1|Cr<6>,1|O<2>,3|C<4>}	C(C[5]C[5]2)(H)3	120.8080	0.000	1	120.4077	0.435	3	120.0992	0.369	8	120.9405	1.602	17	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|Cl<1>,1|Mo<6>,1|O<2>,3|C<4>}	C(C[5]C[5]2)(H)3	120.7690	0.000	1	120.4077	0.435	3	120.0992	0.369	8	120.9405	1.602	17	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|F<1>,1|O<2>,1|W<6>,3|C<4>}	C(C[5]C[5]2)(H)3	119.6460	0.000	1	120.4077	0.435	3	120.0992	0.369	8	120.9405	1.602	17	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2)(H)3	121.4280	0.000	1	121.4280	0.000	1	121.4280	0.000	1	120.9405	1.602	17	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2)(H)3	120.1130	0.000	1	120.1130	0.000	1	121.8136	1.966	7	120.9405	1.602	17	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)(H){2|C<4>}	C(C[5]C[5]2)(H)3	123.0525	0.598	2	123.0525	0.357	2	121.8136	1.966	7	120.9405	1.602	17	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2)(H)3	120.4670	0.103	2	120.4670	0.011	2	121.8136	1.966	7	120.9405	1.602	17	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){3|H<1>}	C(C[5]C[5]2)(H)3	122.8280	0.000	1	122.8280	0.000	1	121.8136	1.966	7	120.9405	1.602	17	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCCH)(H){1|O<1>,1|O<2>}	C(C[5]C[5]2)(H)3	122.7150	0.000	1	122.7150	0.000	1	121.8136	1.966	7	120.9405	1.602	17	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-3:C-3:H-1:H-1:	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2)(CCC)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5]2)(CCC)(H)2	121.2770	0.816	3	121.2770	0.666	3	121.2770	0.666	3	121.3314	0.858	7	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:N-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHN)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2)(NCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHN){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2)(NCH)(H)2	122.3215	0.276	2	122.3215	0.076	2	122.3215	0.076	2	121.3314	0.858	7	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]Si)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]Si)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H){1|Si<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	120.4230	0.348	2	120.4230	0.121	2	120.4230	0.121	2	121.3314	0.858	7	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2)(CCCH)(H)2	124.6025	0.231	2	124.6025	0.053	2	123.6917	2.040	6	125.9638	8.571	11	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){3|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	124.5325	0.278	2	124.5325	0.077	2	123.6917	2.040	6	125.9638	8.571	11	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCHH){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|S<4>}	C(C[5]C[5]2)(CH3)(H)2	121.9400	0.926	2	121.9400	0.858	2	123.6917	2.040	6	125.9638	8.571	11	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H)	C(C[5]C[5]N[5])(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H){1|O<1>,2|C<4>}	C(C[5]C[5]N[5])(CH3)(H)2	126.4260	0.000	1	126.4260	0.000	1	128.6904	1.840	5	125.9638	8.571	11	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CH)(N[5]O[5]O)(CCHH)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H){1|O<1>,2|C<3>}	C(C[5]C[5]N[5])(CCHH)(H)2	129.2565	0.563	4	129.2565	0.317	4	128.6904	1.840	5	125.9638	8.571	11	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCH){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2)(CH3)2(H)	121.9280	0.348	3	121.9280	0.121	3	122.9035	3.887	4	122.9035	3.887	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2)(CHHO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|O<1>,1|O<2>}	C(C[5]C[5]2)(CHHO)(CH3)(H)	125.8300	0.000	1	125.8300	0.000	1	122.9035	3.887	4	122.9035	3.887	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:4:2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C-4:C-4:O-2:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2)(CCHH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<2>,2|H<1>}	C(C[5]C[5]2)(CCHH)(CH3)(OH)	122.3860	0.000	1	122.3860	0.000	1	122.1885	0.078	2	122.1885	0.078	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:4:2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C-4:C-4:O-2:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[5]HH)(H)	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[5]HH)(H){3|H<1>}	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	121.9910	0.000	1	121.9910	0.000	1	122.1885	0.078	2	122.1885	0.078	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C-4:C-4:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){3|H<1>}	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	124.8060	0.424	2	124.8060	0.180	2	124.8060	0.180	2	124.8060	0.180	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[5]HH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	122.1240	0.000	1	122.1240	0.000	1	122.1240	0.000	1	122.1240	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:1:	4:3:4:2:	C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:O-2:	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5,5]CO)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C(C[5,5]C[5,5]N[5]O[5])(C[5]C[5]N[5])(CH3)(OH)	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5,5]CO){4|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<6>,2|C<4>}	C(C[5,5]C[5,5]N[5]O[5])(C[5]C[5]N[5])(CH3)(OH)	124.6380	0.000	1	124.6380	0.000	1	124.6380	0.000	1	124.6380	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:O-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,5]CO)(C[5]C[5,5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CC[3]HH)(OH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,5]CO)(C[5]C[5,5]H)(CH3){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CC[3]HH)(OH){2|C<3>,3|H<1>}	C(C[5]C[5]2)(H)3	120.3730	0.000	1	120.3730	0.000	1	120.3730	0.000	1	120.2040	0.124	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH){1|O<2>,2|C<4>}	C(C[5]C[5]2)(H)3	120.1617	0.392	4	120.1617	0.154	4	120.1617	0.154	4	120.2040	0.124	5	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:2:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:C-4:C-4:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH)	C(C[5]C[5]2)(CH3)2(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>}	C(C[5]C[5]2)(CH3)2(H)	121.3007	0.915	3	121.3007	0.838	3	121.3007	0.838	3	121.3007	0.838	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:4:	3:1:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CC)(N[5]C[5]Pd)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]N[5])(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Pd)(CH3){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Pd<4>,1|C<3>}	C(C[5]C[5]N[5])(H)3	122.9440	0.000	1	122.9440	0.000	1	122.9440	0.000	1	122.9440	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:4:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)2	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	124.7780	0.000	1	124.7780	0.000	1	124.7780	0.000	1	124.7780	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5]2)(CCHO)(H)2	121.9140	0.000	1	121.9140	0.000	1	122.1328	0.084	4	122.1328	0.084	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	C(C[5]C[5]2)(CC[5]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5]2)(CC[5]HH)(H)2	122.0660	0.266	2	122.0660	0.071	2	122.1328	0.084	4	122.1328	0.084	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3)	C(C[5]C[5]2)(CCHO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5]2)(CCHO)(H)2	122.4850	0.000	1	122.4850	0.000	1	122.1328	0.084	4	122.1328	0.084	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:4:	3:4:2:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C-4:O-2:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO)	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	125.1540	0.000	1	125.1540	0.000	1	125.1540	0.000	1	125.1540	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	122.3950	0.000	1	122.3950	0.000	1	122.3950	0.000	1	122.3950	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[3,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]H)(CH3)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]H)(CH3){2|C<4>,2|O<2>,3|H<1>}	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<3>,4|C<4>,4|H<1>}	C(C[5]C[5]2)(H)3	123.7983	0.536	3	123.7983	0.288	3	123.7983	0.288	3	123.2744	0.855	7	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5]H)(C[5]C[5]C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]H)(CH3){1|Cr<9>,1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5,6]C[5]H)(C[5]C[5]C)(H){1|Cr<9>,1|C<3>,2|H<1>,5|C<4>}	C(C[5]C[5]2)(H)3	121.3970	0.000	1	121.3970	0.000	1	121.3970	0.000	1	123.2744	0.855	7	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5]2)(H)3	123.5480	0.000	2	123.3763	0.088	3	123.3763	0.088	3	123.2744	0.855	7	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]H)(CH3){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5]2)(H)3	123.0330	0.000	1	123.3763	0.088	3	123.3763	0.088	3	123.2744	0.855	7	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(CC[6a]HH)	C[5](C[5]C[5]CC)(N[5]C[5]2H)(C[5]C[5]C)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(CC[6a]HH){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]2H)(C[5]C[5]C)(H){2|C<4>,7|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	121.2830	0.000	1	121.2830	0.000	1	121.2830	0.000	1	121.2830	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)(H)	C(C[5]C[5]2)(CC3)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[5]C[5]2)(CC3)(H)2	121.3270	0.000	1	121.3270	0.000	1	121.4383	0.011	3	121.4383	0.011	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)(H)	C(C[5]C[5]2)(CCCH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]H)(CCHH){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[5]C[5]2)(CCCH)(H)2	121.4940	0.058	2	121.4940	0.003	2	121.4383	0.011	3	121.4383	0.011	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:4:3:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[3]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C-4:C-4:H-1:	C[5](C[5]C[3]C[5]H)(C[5]C[5]H)(CCCH)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C(C[5]C[5]2)(CCHH)(CH3)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]H)(CCCH){1|O<1>,2|H<1>,3|C<4>}	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5]2)(CCHH)(CH3)(H)	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:H-1:	C-4:C[5]-3:H-1:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,5]O[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H)	C(CC[3x5]HH)(C[5]C[5]2)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]C)(CCHH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]O[5]C)(C[5]C[5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<1>,4|C<4>}	C(CC[3x5]HH)(C[5]C[5]2)(H)2	120.8720	0.000	1	120.8720	0.000	1	120.8720	0.000	1	120.8720	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:4:3:2:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6]-4:C[5]-3:O-2:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]C[6]O)(C[5]C[5]Si)(CCHH)	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH)	C(C[5]C[5]2)(CCHH)(H)2	C[5](C[5]C[5]C[6]O)(C[5]C[5]Si)(CCHH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	C(C[5]C[5]2)(CCHH)(H)2	121.0280	0.000	1	121.0280	0.000	1	121.0280	0.000	1	121.0280	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	4:4:3:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-3:C-4:H-1:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]2)(CC[6]CH)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH){1|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5]2)(CC[6]CH)(H)2	122.3900	0.000	2	122.3900	0.000	2	122.3900	0.000	2	122.3900	0.000	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	5:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[3,5]-5:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(CH3)	C[5](C[3,5]C[3,5]C[3]HfN)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(CH3){1|Hf<11>,1|C<5>,1|H<1>,1|N<3>}	C[5](C[3,5]C[3,5]C[3]HfN)(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]2)(H)3	120.0950	0.000	1	120.0950	0.000	1	120.0950	0.000	1	116.9307	7.512	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	5:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Ge[3,3,5]-5:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CH3)	C[5](Ge[3,3,5]B[3,3]C[5]N[3]2)(C[5]C[5]C)(H)2	C(C[5]C[5]2)(H)3	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CH3){1|B<4>,2|H<1>,2|N<3>}	C[5](Ge[3,3,5]B[3,3]C[5]N[3]2)(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5]2)(H)3	115.3485	0.060	2	115.3485	0.004	2	115.3485	0.004	2	116.9307	7.512	3	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	5:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	Ge[3,3,5]-5:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:H-1:H-1:	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH)	C[5](Ge[3,3,5]B[3,3]C[5]N[3]2)(C[5]C[5]C)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	C[5](C[5]Ge[3,3,5]HH)(C[5]C[5]C)(CC[6a]HH){1|B<4>,2|H<1>,2|N<3>}	C[5](Ge[3,3,5]B[3,3]C[5]N[3]2)(C[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(H)2	115.1760	0.440	2	115.1760	0.193	2	115.1760	0.193	2	115.1760	0.193	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	5:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si[3,3]-5:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[3,3]Si[3,3]O[3]2N)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Si<5>,1|N<3>,2|C<4>,2|O<2>}	C[5](Si[3,3]Si[3,3]O[3]2N)(C[5]C[5]C)2(CH3){1|N<3>,3|C<4>}	C(C[5]C[5]2)(H)3	122.7775	0.665	4	122.7775	0.442	4	122.7775	0.442	4	122.7775	0.442	4	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	6:3:3:1:	3:1:1:1:	C[5]-4:C[5,6a]-3:C-4:	C[5x3,5x5,20x6]-6:N[5]-3:C[5]-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5x3,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H)	C(C[5]C[5,6a]C[5])(H)3	C[5](C[5]C[5x3,5x5,20x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Si<4>,1|C<5>,1|H<1>,2|C<3>,4|B<6>}	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H){2|C<3>,4|H<1>,5|B<6>}	C(C[5]C[5,6a]C[5])(H)3	122.6830	0.000	1	122.6830	0.000	1	122.6830	0.000	1	122.6830	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:3:4:	6:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	B[5x3]-6:C[5]-3:C[5]-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3)	C[5](B[5x3]C[3,3,5]5)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3){7|C<4>}	C[5](B[5x3]C[3,3,5]5)(C[5]C[5]C)2(CH3){7|C<4>}	C(C[5]C[5]2)(H)3	122.8247	0.589	7	122.8247	0.347	7	122.8247	0.347	7	122.8247	0.347	7	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:4:2:	3:2:1:1:	3:3:1:1:	C[5]-4:C-4:N[5]-2:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[6a]-3:H-1:H-1:	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])	C[5](C[5]N[5]C)(O[5]C[5])(H)2	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5]){1|C<3>,1|C<4>}	C[5](C[5]N[5]C)(O[5]C[5])(H)2{1|C<3>,1|C<4>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	122.7700	0.000	1	122.7700	0.000	1	122.7700	0.000	1	122.7700	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:4:2:	4:3:3:1:	3:3:1:1:	C[5]-4:C-4:N[5]-2:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[6a]-3:H-1:H-1:	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]C)(CC[6a]O)(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]N[5]){3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]C)(CC[6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)2	124.6520	0.000	1	124.6520	0.000	1	124.6520	0.000	1	124.6520	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:4:2:	4:3:4:1:	3:3:3:1:	C-4:C[5]-4:N[5]-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5a]-3:C[5]-3:C[6a]-3:H-1:	C[5](CC[5a]C[6a]H)(C[5]C[5]CH)(N[5]O[5])	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]CH)(N[5]O[5]){2|H<1>}	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	121.9390	0.000	1	121.9390	0.000	1	121.9390	0.000	1	121.9390	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:4:2:	4:3:4:1:	3:3:4:1:	C[5]-4:C-4:N[5]-2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C[5](C[5]C[5]CH)(CC[6a]CH)(N[5]O[5])	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C[5](C[5]C[5]CH)(CC[6a]CH)(N[5]O[5]){2|H<1>}	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	121.2140	0.000	1	121.2140	0.000	1	121.2140	0.000	1	121.2140	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:4:3:	3:2:4:2:	4:3:1:1:	C[5]-4:C-4:C[5]-3:	C[5]-3:O[5]-2:C-4:O-2:	C[3,5]-4:C[5]-3:H-1:H-1:	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC)	C(C[3,5]C[3,5]2O[3])(C[5]C[5]2)(H)2	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC){1|C<4>,1|O<1>}	C(C[3,5]C[3,5]2O[3])(C[5]C[5]2)(H)2	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:4:4:	3:2:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(H)2	C(C[5]C[5]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH){1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H)2{1|O<1>,2|H<1>}	C(C[5]C[5]2)(N[5]C[5]2)(H)2	110.5460	0.000	1	110.5460	0.000	1	110.5460	0.000	1	110.5460	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2	C(C[5]C[5]2)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH){1|O<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(H)2{2|H<1>}	C(C[5]C[5]2)(N[5]C[5]2)(H)2	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HH)(C[5]P[5]C)(H)2	C(C[5]C[5]P[5])(H)3	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]P[5]C)(H)2{1|Pt<4>,1|C<3>,1|C<4>}	C(C[5]C[5]P[5])(H)3	117.5945	2.193	2	117.5945	4.808	2	117.5945	4.808	2	117.5945	4.808	2	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(H)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]2)(H)3	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	490	0:SP2_SP3_SP3	C[5]	C[5]	C	4:4:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:N-3:C-4:	C[5]-3:H-1:H-1:H-1:	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(CH3)	C(C[5]C[5]2)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(CH3){1|N<3>,3|H<1>}	C(C[5]C[5]2)(H)3	114.6580	0.000	1	114.6580	0.000	1	114.6580	0.000	1	114.6580	0.000	1	122.2675	6.703	795	122.3365	6.289	1245
818	474	510	0:SP2_SP2_SP3	C[5]	C[5]	B	3:4:2:	4:3:4:4:	3:3:	N[5]-3:C[5]-4:B-2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:B-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BB)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	B(C[5]C[5]N[5])(BC[5]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BB){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	B(C[5]C[5]N[5])(BC[5]2)	122.0730	0.000	1	122.0730	0.000	1	122.0730	0.000	1	122.0730	0.000	1	122.0730	0.000	1	122.0730	0.000	1
818	474	542	0:SP2_SP2_SP3	C[5,5,6]	C[5,5,6]	N[5]	3:4:3:	3:4:4:1:	3:3:3:	C[5,5,6]-3:C[5,5,6]-4:N[5]-3:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-3:Ge[5]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	N[5](C[5,5,6]C[5,5,6]2)(Ge[5]P[5,5]C[6a])(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5]){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<3>,1|C<3>,1|P<4>,3|H<1>}	N[5](C[5,5,6]C[5,5,6]2)(Ge[5]P[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<3>,4|C<3>,5|C<4>}	127.9410	0.000	1	127.9410	0.000	1	127.9410	0.000	1	127.9410	0.000	1	127.1430	1.274	2	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5,5,6]	C[5,5,6]	N[5]	3:4:3:	3:4:4:1:	4:3:3:	C[5,5,6]-3:C[5,5,6]-4:N[5]-3:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	Ge[5]-4:C[5,5,6]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	N[5](Ge[5]P[5,5]C[6a]Rh)(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]P[5,5])(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]Ge[5]){1|Rh<6>,1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|Ge<4>,1|C<3>,1|P<4>,3|H<1>}	N[5](Ge[5]P[5,5]C[6a]Rh)(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2){1|H<1>,2|N<3>,4|C<3>,5|C<4>}	126.3450	0.000	1	126.3450	0.000	1	126.3450	0.000	1	126.3450	0.000	1	127.1430	1.274	2	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5,5]	C[5,6]	N[5]	4:3:3:	3:4:4:2:	3:4:4:	C[5,6]-4:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,5]-3:C[5]-4:S-4:	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S)	C[5,6](C[5,5]C[5,5]N[5])(C[6]C[6]HH)2(O[5]C[5])	N[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S){1|O<1>,2|C<4>,8|H<1>}	C[5,6](C[5,5]C[5,5]N[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,1|S<4>,3|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	135.5360	0.836	2	135.5360	0.699	2	135.5360	0.699	2	135.5360	0.699	2	135.5360	0.699	2	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5,5]	C[5]	N[5]	3:3:4:	3:3:4:4:	3:3:3:	C[5,5]-3:N[5]-3:C[5]-4:	C[5,5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[6a]-3:P[5]-3:	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC)	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(P[5]C[5]O)	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2{1|P<3>,3|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(P[5]C[5]O){1|N<3>,3|C<3>,5|C<4>}	132.3310	0.000	1	132.3310	0.000	1	132.3310	0.000	1	132.3310	0.000	1	135.2036	4.916	10	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5,5]	C[5]	N[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5,5]-3:N[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)2{2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	137.6400	0.000	1	137.6400	0.000	1	137.6400	0.000	1	137.6400	0.000	1	135.2036	4.916	10	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5,5]	C[5]	N[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5]-3:N[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,5]C[5]S[5])(N[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]S[5]S)	C[5,5](C[5,5]C[5]S[5])(N[5]C[6a]C[5])(C[5]C[5]HH){1|S<1>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]S[5]S){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	131.0520	0.000	1	131.0520	0.000	1	131.0520	0.000	1	131.0520	0.000	1	135.2036	4.916	10	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5,5]	C[5]	N[5]	3:4:3:	3:4:1:1:	3:3:4:	C[5,5]-3:C[5]-4:N[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:N[5]-3:B-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]B)	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,5]C[5])(N[5]C[5]Co)(BN[5]2H)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]B){1|Co<6>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5,5]C[5,5]C[5])(N[5]C[5]Co)(BN[5]2H){2|H<1>,3|C<4>}	136.0557	0.151	3	136.0557	0.023	3	136.0557	0.023	3	136.0557	0.023	3	135.2036	4.916	10	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5,5]	C[5]	N[5]	3:4:3:	3:4:4:1:	3:3:4:	N[5,5]-3:C[5]-4:N[5]-3:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CH3)(H)	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C){6|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){2|H<1>,3|C<4>}	137.5550	0.000	1	137.5550	0.000	1	137.5550	0.000	1	137.5550	0.000	1	135.2036	4.916	10	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5,5]	C[5]	N[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5,5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5]C[5,6a]C[6a]H)(C[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5,5]C[5,6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,5|C<3>}	134.1830	0.140	2	134.1830	0.020	2	134.1830	0.020	2	134.1830	0.020	2	135.2036	4.916	10	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5,5]	C[5]	N[5]	4:3:3:	3:4:1:1:	3:3:4:	C[5]-4:N[5,5]-3:N[5]-3:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5]C[5,5]HH)(N[5,5]C[5]2)(N[5]C[5]C)	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]3)(H)2	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3)	C[5,5](C[5]C[5,5]HH)(N[5,5]C[5]2)(N[5]C[5]C){2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]3)(H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]H)(CH3){2|C<4>,3|H<1>}	136.9250	0.000	1	136.9250	0.000	1	136.9250	0.000	1	136.9250	0.000	1	135.2036	4.916	10	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:4:	3:4:1:1:	5:3:2:	N[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	Si[5,5,6]-5:C[5,6]-3:N[5]-2:	C[5,6](N[5,6]Si[5,5,6]N[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H)2	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5])(N[5]C[5])	C[5,6](N[5,6]Si[5,5,6]N[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]N[5,6])(C[5]C[5]HH)(H)2{1|Si<5>,1|C<4>,1|N<2>,3|H<1>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5])(N[5]C[5]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	127.7670	0.000	1	127.7670	0.000	1	127.7670	0.000	1	127.7670	0.000	1	127.7670	0.000	1	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6,6]-4:N[5]-3:N[5]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(N[5]C[6a]C[5])2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2)(C[5]N[5]2)	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6,6]C[5,6,6a]2C[5,6,6])(N[5]C[6a]C[5])2{10|C<3>,2|H<1>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2)(C[5]N[5]2){12|C<3>}	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,6|C<3>}	126.7490	0.000	1	126.7490	0.000	1	126.7490	0.000	1	126.8713	0.004	8	126.8713	0.004	8	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6,6]-4:N[5]-3:N[5]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6,6]C[5,6,6a]2C[5a,6,6])(N[5]C[6a]C[5])2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5a,6,6]C[5a,6,6a]2)(C[5]N[5]2)	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6,6]C[5,6,6a]2C[5a,6,6])(N[5]C[6a]C[5])2{10|C<3>,2|H<1>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5a,6,6]C[5a,6,6a]2)(C[5]N[5]2){12|C<3>}	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,6|C<3>}	126.8887	0.043	7	126.8887	0.002	7	126.8887	0.002	7	126.8713	0.004	8	126.8713	0.004	8	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	2:4:3:1:	3:4:4:	C[5,6]-4:N[5]-3:N[5]-3:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(N[5]C[5,6]C)(N[5]C[5]2)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]N[5]2)(H)	N[5](C[5]C[5,6]N[5])(C[5]C[5]HH)2	C[5](C[5,6]O[5,6]C[6]H)(N[5]C[5,6]C)(N[5]C[5]2){1|O<2>,4|C<4>,6|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]N[5]2)(H){1|O<2>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]N[5])(C[5]C[5]HH)2{1|O<2>,3|C<4>,5|H<1>}	122.3400	0.054	2	122.3400	0.003	2	122.3400	0.003	2	122.3400	0.003	2	122.6925	0.170	4	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]N[5])(C[6]C[6]H)(H)	N[5](C[5]C[5,6]C[5])(C[5]C[5,6a]O)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|S<4>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]C[5])(C[5]C[5,6a]O)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.9740	0.000	1	122.9740	0.000	1	123.0450	0.010	2	123.0450	0.010	2	122.6925	0.170	4	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5]-3:N[5]-3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H)	N[5](C[5]C[5,6]C[5])(C[5]C[5,6a]O)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2){1|S<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]C[5])(C[5]C[5,6a]O)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.1160	0.000	1	123.1160	0.000	1	123.0450	0.010	2	123.0450	0.010	2	122.6925	0.170	4	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:3:4:	3:2:3:1:	3:3:4:	N[5]-3:N[5]-3:C[5]-4:	N[5]-3:N[5]-2:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](N[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[5]N[5]2H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a])(C[5]N[5]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)	C[5](N[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[5]N[5]2H){1|C<4>,4|C<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a])(C[5]N[5]2)(H){1|Rh<6>,1|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3){1|Rh<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	124.3000	0.000	1	124.3000	0.000	1	124.3000	0.000	1	124.3000	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:3:1:1:	3:4:3:	N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2{1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){4|H<1>,5|C<3>}	120.7350	0.000	1	120.7350	0.000	1	120.5635	0.059	2	120.5635	0.059	2	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:3:1:1:	3:4:3:	N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){4|C<3>,5|H<1>}	120.3920	0.000	1	120.3920	0.000	1	120.5635	0.059	2	120.5635	0.059	2	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:3:3:1:	4:3:4:	C[5,6a]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	B[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5])(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C){1|B<3>,1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H){1|B<4>,1|C<4>,1|H<1>,5|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5])(CC[6a]HH){1|H<1>,1|N<3>,7|C<3>}	124.1250	0.000	1	124.1250	0.000	1	124.1250	0.000	1	124.1250	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:3:4:1:	4:3:3:	C[5]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	121.1120	0.000	1	121.1120	0.000	1	121.1120	0.000	1	121.1120	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:1:1:	3:4:3:	N[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	120.7050	0.000	1	120.7050	0.000	1	120.7050	0.000	1	120.7050	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:2:1:	4:3:3:	C[5]-3:C[5]-4:N[5]-3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H)	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(N[5]C[5]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	118.3340	0.000	1	118.3340	0.000	1	118.3340	0.000	1	118.3340	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:2:4:3:	3:4:4:	C[5]-4:N[5]-3:O[5]-2:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-3:C[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5]2)(O[5]B[5])	C[5](C[5]N[5]O[5])(O[5]B[5])(CCCH)(CCO)	N[5](C[5]C[5]O[5])(C[5]C[5]HH)2	C[5](C[5]O[5]CC)(N[5]C[5]2)(O[5]B[5]){2|C<4>,2|F<1>,4|H<1>}	C[5](C[5]N[5]O[5])(O[5]B[5])(CCCH)(CCO){2|C<4>,2|F<1>}	N[5](C[5]C[5]O[5])(C[5]C[5]HH)2{1|B<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	128.5930	1.003	4	128.5930	1.007	4	128.5930	1.007	4	128.5930	1.007	4	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:4:4:	3:4:3:	C[5]-4:N[5]-3:N[5]-2:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(N[5]C[5]2)(N[5]C[5])	C[5](C[5]N[5]2)(N[5]C[5]O)(CH3)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]S)	C[5](C[5]N[5]CC)(N[5]C[5]2)(N[5]C[5]){1|N<3>,1|O<1>,1|S<1>,2|H<1>,3|C<4>}	C[5](C[5]N[5]2)(N[5]C[5]O)(CH3)2{1|C<3>,3|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]S){1|N<3>,3|C<4>,3|H<1>}	127.9510	0.000	1	127.9510	0.000	1	127.9510	0.000	1	127.9510	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:4:3:1:	3:4:4:	C[5]-4:N[5]-3:O[5]-2:	C[5]-3:C[5]-4:N[5]-3:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)(O[5]Si[5])	C[5](C[5]N[5]O[5])(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[5]O[5])(C[5]Si[5]HH)(CSiHH)	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)(O[5]Si[5]){1|F<1>,1|S<4>,4|C<4>,4|H<1>}	C[5](C[5]N[5]O[5])(C[5]C[5]HH)(N[5]C[5]S)(H){1|Si<5>,2|C<4>,4|H<1>}	N[5](C[5]C[5]O[5])(C[5]Si[5]HH)(CSiHH){1|F<1>,1|H<1>,1|N<3>,3|C<4>}	121.0700	0.000	1	121.0700	0.000	1	121.0700	0.000	1	121.0700	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:4:4:1:	3:3:4:	C[5]-4:N[5]-3:C[5]-2:	C[5]-3:C[5]-4:C[5]-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]2H)(N[5]C[5]C)(C[5]N[5])	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	N[5](C[5]C[5]2)(C[5]N[5]S)(CHHO)	C[5](C[5]C[5]2H)(N[5]C[5]C)(C[5]N[5]){1|S<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5](C[5]C[5]2)(C[5]N[5]S)(CHHO){1|H<1>,2|C<4>}	122.9560	0.000	1	122.9560	0.000	1	122.9560	0.000	1	122.9560	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	4:3:1:1:	4:4:3:	C[5]-4:N[5]-3:N[5]-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5]2)(N[5]C[5])	C[5](C[5]C[5]HH)(C[5]N[5]2)(H)2	N[5](C[5]C[6a]C[5]H)2(C[5]C[5]N[5])	C[5](C[5]C[5]HH)(N[5]C[5]2)(N[5]C[5]){2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]2)(H)2{2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)2(C[5]C[5]N[5]){2|C<4>,4|C<3>,6|H<1>}	121.3960	0.000	1	121.3960	0.000	1	121.3960	0.000	1	121.3960	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:2:2:1:	4:4:3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(O[5]C[5])(OC[6])(H)	N[5](C[5]C[5]HH)2(C[5]C[5]2)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(N[5]C[5]2){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]N[5])(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5]HH)2(C[5]C[5]2){1|Cl<1>,1|C<3>,2|O<2>,3|H<1>}	119.9190	0.000	1	119.9190	0.000	1	119.9190	0.000	1	119.9190	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:1:1:	4:4:3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]C)(H)2{1|O<1>,3|C<4>}	N[5](C[5]C[5]HH)2(C[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	118.7460	0.000	1	118.7460	0.000	1	118.7460	0.000	1	118.7460	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:2:1:	4:3:3:	C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(OC)(H)	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(OC)(H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.9980	0.000	1	118.9980	0.000	1	118.9980	0.000	1	118.9980	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:N[5]-3:	B[5]-3:C[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]B[5]C[5]C)(N[5]C[5]C)2	C[5](B[5]N[5]N)(C[5]C[5]H)(C[5]N[5]2)(CC3)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]B[5]C[5]C)(N[5]C[5]C)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[5](B[5]N[5]N)(C[5]C[5]H)(C[5]N[5]2)(CC3){3|C<3>,3|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,3|C<4>}	127.5490	0.963	2	127.5490	0.928	2	127.5490	0.928	2	127.5490	0.928	2	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:3:4:	4:3:3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,2|H<1>,4|C<3>}	121.5230	0.000	1	121.5230	0.000	1	121.5230	0.000	1	121.5230	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:1:1:	4:4:3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[5]C[5]2)	C[5](C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]2){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]HH)2(C[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	118.8830	0.000	1	118.8830	0.000	1	118.8830	0.000	1	118.8830	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:3:2:	3:3:4:	C[5]-4:N[5]-3:N[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]C[5]O)(N[5]C[5,6a]Cu)(N[5]C[5,6a]C)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)	C[5](C[5]C[5,5]C[5]O)(N[5]C[5,6a]Cu)(N[5]C[5,6a]C){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH){1|Cu<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	125.5820	0.000	1	125.5820	0.000	1	125.5820	0.000	1	125.5820	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:2:3:4:	3:4:1:	C[5]-4:N[5]-3:N[5]-3:	C[5]-4:O[5]-2:C[5]-3:C-4:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]O[5]C)(N[5]C[5]H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]N[5]2)(CCHH)	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)	C[5](C[5]C[5]O[5]C)(N[5]C[5]H)2{2|C<3>,6|H<1>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]N[5]2)(CCHH){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	125.5335	3.671	2	125.5335	13.473	2	125.5335	13.473	2	125.5335	13.473	2	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:3:1:	3:3:2:	C[5]-4:N[5]-3:C[5]-3:	C[5,6]-4:N[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-2:	C[5](C[5]C[5,6]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5]N[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]N[5])	C[5](C[5]C[5,6]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]H){4|C<3>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5]N[5])(H){1|C<2>,1|N<3>,3|C<3>,4|C<4>,7|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]N[5]){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	125.2410	0.000	1	125.2410	0.000	1	125.2410	0.000	1	125.2410	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:3:1:	3:3:4:	C[5]-4:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)2	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH)	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)2{7|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)(H){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CCCH){1|H<1>,1|N<3>,3|C<4>}	130.6835	0.643	2	130.6835	0.413	2	126.4850	15.340	6	126.4850	15.340	6	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:3:1:	3:3:4:	C[5]-4:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)2	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)2{7|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)(H){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5]N[5])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<4>}	124.3858	2.793	4	124.3858	7.801	4	126.4850	15.340	6	126.4850	15.340	6	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:3:1:	3:4:1:	C[5]-4:N[5]-3:N[5]-3:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]N[5]H)(N[5]C[5]O)2	C[5](C[5]C[5]HH)(C[5]N[5]2)(N[5]C[5]C)(H)	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]N[5]H)(N[5]C[5]O)2{1|C<3>,2|H<1>,6|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]2)(N[5]C[5]C)(H){2|C<4>,2|O<1>,4|H<1>}	N[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	125.0912	1.023	6	125.0912	1.047	6	125.0912	1.047	6	125.0912	1.047	6	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:N[5]-3:N[5]-3:	C[5]-4:N[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5]H)(N[5]C[5,6a]H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(C[5]N[5]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5,6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]HH)(C[5]N[5]2)(H){2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	125.3400	2.458	4	125.3400	6.040	4	125.3400	6.040	4	125.4872	4.638	5	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5]-4:N[5]-3:N[5]-3:	N[5]-4:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5]H)(N[5]C[5,6a]Zn)(N[5]C[5,6a]H)	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(C[5]N[5]2)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5,6a]Zn)(N[5]C[5,6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[5]ZnH)(C[5]C[5]HH)(C[5]N[5]2)(H){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Zn<4>,1|C<4>,1|N<4>,2|C<3>,2|H<1>}	126.0760	0.000	1	126.0760	0.000	1	126.0760	0.000	1	125.4872	4.638	5	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:4:3:	3:3:4:2:	4:3:1:	C[5]-4:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(N[5]C[5]O)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH)	N[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(N[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	122.4750	0.000	1	122.4750	0.000	1	122.4750	0.000	1	122.4750	0.000	1	124.3607	11.554	44	126.5179	24.675	71
818	474	542	0:SP2_SP3_SP3	C[5,5]	C[5,6]	N[5]	4:3:3:	3:4:4:2:	3:4:4:	C[5,6]-4:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,5]-3:C[5]-4:S-4:	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S)	C[5,6](C[5,5]C[5,5]N[5])(C[6]C[6]HH)2(O[5]C[5])	N[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2)(N[5]C[5]S){1|O<1>,2|C<4>,8|H<1>}	C[5,6](C[5,5]C[5,5]N[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,1|S<4>,3|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	136.2240	0.000	1	136.2240	0.000	1	136.2240	0.000	1	136.2240	0.000	1	136.2240	0.000	1	128.3940	122.618	2
818	474	542	0:SP2_SP3_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:1:1:	3:4:3:	N[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	120.5640	0.000	1	120.5640	0.000	1	120.5640	0.000	1	120.5640	0.000	1	120.5640	0.000	1	128.3940	122.618	2
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5,5,6]	N[5]	4:3:3:	3:4:3:2:	3:3:3:	C[5,5,6]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:C[5,5]-3:O[5,6]-2:	C[5,6a]-3:C[5,5]-3:C-3:	C[5,5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(N[5]C[5,6a]C)(C[5]C[5,6]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]N[5])(O[5,6]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]C[5])(COO)	C[5,5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(N[5]C[5,6a]C)(C[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,5]C[5]N[5])(O[5,6]C[5,6]){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]C[5])(COO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5,5]	N[5]	3:4:3:	3:4:4:4:	3:3:4:	N[5]-3:C[5,5]-4:B[5]-3:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2C)(B[5]B[5]C[5])	C[5,5](C[5,5]B[5]N[5])(C[5]B[5]HH)(C[5]C[5]HH)(CH3)	N[5](C[5,5]C[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2C)(B[5]B[5]C[5]){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[5,5](C[5,5]B[5]N[5])(C[5]B[5]HH)(C[5]C[5]HH)(CH3){2|C<3>,3|C<4>}	N[5](C[5,5]C[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,2|H<1>,3|C<3>,4|C<4>}	105.1260	0.000	1	105.1260	0.000	1	105.1260	0.000	1	105.1260	0.000	1	108.6960	2.985	7	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5,5]	N[5]	4:2:3:	4:3:3:4:	3:4:3:	C[5,5]-4:N[5]-2:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5]-4:C-3:	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a])(N[5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]C[5]HH)	N[5](C[5,5]C[5,5]N[5])(C[5]C[5]CH)(COO)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a])(N[5]C[5]C){1|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,4|H<1>,6|C<3>}	N[5](C[5,5]C[5,5]N[5])(C[5]C[5]CH)(COO){1|C<4>,2|C<3>,2|H<1>}	109.4305	0.400	2	109.4305	0.160	2	109.4305	0.160	2	109.4305	0.160	2	108.6960	2.985	7	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5,5]	N[5]	4:3:3:	3:3:4:1:	3:3:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:H-1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(H)	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,5|C<3>}	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	108.6960	2.985	7	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5,5]	N[5]	4:3:3:	3:3:4:2:	3:3:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	109.0240	0.033	2	108.6960	2.985	7	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5,5]	N[5]	4:3:3:	3:3:4:2:	3:3:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[6a]-3:C[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5])	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,2|N<2>,4|C<3>}	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	109.0240	0.033	2	108.6960	2.985	7	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5,5]	N[5]	4:3:3:	4:3:3:1:	3:3:4:	C[5,5]-4:C[5,6]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:C[5,5]-3:S-4:	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]C[5,6,6]C[6])(N[5]C[5,6a]S)	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5,6])(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]C[5,6,6]C[6])(N[5]C[5,6a]S){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5,6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	108.6960	2.985	7	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5]	N[5,5]	3:3:4:	3:4:1:1:	3:3:4:	N[5,5]-3:N[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]CH)(H)2{2|C<3>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	111.9070	0.000	1	111.9070	0.000	1	111.9070	0.000	1	111.9070	0.000	1	110.7317	1.262	26	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5]	N[5,5]	3:3:4:	3:4:1:1:	4:4:3:	N[5,5]-3:C[5,6]-3:C[5]-4:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:Si[5]-4:C[5,5]-3:	C[5,5](N[5,5]C[5,5]Si[5])(C[5,6]N[5,6]C[6])(C[5]C[5,5]HH)	C[5](C[5,5]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(Si[5]N[5,6]C[6a]2)(C[5,5]C[5,6]C[5])	C[5,5](N[5,5]C[5,5]Si[5])(C[5,6]N[5,6]C[6])(C[5]C[5,5]HH){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(Si[5]N[5,6]C[6a]2)(C[5,5]C[5,6]C[5]){2|C<4>,5|H<1>,6|C<3>}	109.9030	0.235	3	109.9030	0.055	3	109.9030	0.055	3	109.9030	0.055	3	110.7317	1.262	26	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5]	N[5,5]	3:3:4:	3:4:3:2:	3:3:4:	N[5,5]-3:N[5]-3:C[5]-4:	C[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]Cu)(C[5]C[5]2O)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]Cu)(C[5]C[5]2O){2|C<3>,2|N<3>,4|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(C[5]N[5]2)(OC){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH){1|Cu<4>,1|O<2>,3|C<3>,3|H<1>}	110.7790	0.000	1	110.7790	0.000	1	110.7790	0.000	1	110.7790	0.000	1	110.7317	1.262	26	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5]	N[5,5]	3:4:2:	3:4:1:1:	3:4:3:	N[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-3:C[5]-4:F-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](N[5,5]C[5]2)(C[5]C[5]FH)(N[5]N[5])	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]FH)(N[5]N[5]){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H){1|C<3>,1|F<1>,3|H<1>}	110.2495	0.262	2	110.2495	0.069	2	109.8483	0.241	4	110.6170	0.596	15	110.7317	1.262	26	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5]	N[5,5]	3:4:2:	3:4:1:1:	3:4:3:	N[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-3:C[5]-4:F-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](N[5,5]C[5]2)(C[5]C[5]FH)(N[5]N[5])	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]FH)(N[5]N[5]){1|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H){1|C<3>,1|N<3>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]H){1|C<3>,1|F<1>,3|H<1>}	109.4470	0.102	2	109.4470	0.010	2	109.8483	0.241	4	110.6170	0.596	15	110.7317	1.262	26	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5]	N[5,5]	3:4:2:	3:4:1:1:	3:4:3:	N[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]H){1|C<3>,4|H<1>}	110.7790	0.285	3	110.7790	0.081	3	110.8965	0.440	11	110.6170	0.596	15	110.7317	1.262	26	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5]	N[5,5]	3:4:2:	3:4:1:1:	3:4:3:	N[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]Se)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]){1|Se<1>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]Se){1|C<3>,4|H<1>}	111.5670	0.000	1	111.5670	0.000	1	110.8965	0.440	11	110.6170	0.596	15	110.7317	1.262	26	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5]	N[5,5]	3:4:2:	3:4:1:1:	3:4:3:	N[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]C){1|C<3>,4|H<1>}	111.6453	0.247	3	111.6453	0.061	3	110.8965	0.440	11	110.6170	0.596	15	110.7317	1.262	26	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5]	N[5,5]	3:4:2:	3:4:1:1:	3:4:3:	N[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]){1|C<3>,5|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]H){1|C<3>,4|H<1>}	110.1610	0.307	3	110.1610	0.094	3	110.8965	0.440	11	110.6170	0.596	15	110.7317	1.262	26	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5]	N[5,5]	3:4:2:	3:4:1:1:	3:4:3:	N[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5])	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]Se)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(N[5]N[5]){1|Se<1>,1|C<3>,4|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]N[5]Se){1|C<3>,4|H<1>}	110.5390	0.000	1	110.5390	0.000	1	110.8965	0.440	11	110.6170	0.596	15	110.7317	1.262	26	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5]	N[5,5]	3:4:3:	3:4:1:1:	4:3:3:	N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2)(C[5]N[5]Ir)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H){1|Ir<6>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2)(C[5]N[5]Ir){1|C<4>,2|C<3>,5|H<1>}	110.3255	1.409	2	110.3255	1.986	2	110.0960	0.733	4	110.0960	0.733	4	110.7317	1.262	26	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5]	N[5,5]	3:4:3:	3:4:1:1:	4:3:3:	N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5,5]-3:C[5]-3:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2)(C[5]N[5]Ni)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H){1|Ni<4>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2)(C[5]N[5]Ni){1|C<4>,2|C<3>,5|H<1>}	109.8665	0.030	2	109.8665	0.001	2	110.0960	0.733	4	110.0960	0.733	4	110.7317	1.262	26	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5]	N[5,5]	3:4:3:	3:4:4:1:	3:4:3:	N[5,5]-3:C[5]-4:N[5]-3:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CH3)(H)	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C){6|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]H){2|C<4>,4|H<1>}	113.0650	0.000	1	113.0650	0.000	1	113.0650	0.000	1	113.0650	0.000	1	110.7317	1.262	26	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,5]	C[5]	N[5,5]	4:3:3:	3:4:1:1:	3:4:3:	C[5]-4:N[5,5]-3:N[5]-3:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5]C[5,5]HH)(N[5,5]C[5]2)(N[5]C[5]C)	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]3)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5,5]HH)(C[5]C[5]H)	C[5,5](C[5]C[5,5]HH)(N[5,5]C[5]2)(N[5]C[5]C){2|C<4>,4|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5,5]C[5]3)(H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5]N[5])(C[5]C[5,5]HH)(C[5]C[5]H){3|C<4>,3|H<1>}	113.9240	0.000	1	113.9240	0.000	1	113.9240	0.000	1	113.9240	0.000	1	110.7317	1.262	26	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6,6]	C[5,3x6]	N[5]	4:3:3:	3:3:4:3:	3:3:4:	C[5,3x6]-4:C[6,6]-3:N[5]-3:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-3:	C[5,6,6]-3:C[5,6a]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C)	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C){2|C<4>,2|H<1>,5|C<3>}	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5](C[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	108.4040	0.000	1	108.4040	0.000	1	108.4040	0.000	1	108.4040	0.000	1	108.4040	0.000	1	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[3x5,6]	N[5,6]	4:3:3:	4:3:2:3:	3:4:4:	C[3x5,6]-4:C[6,6a]-3:N[5,6]-3:	C[5,5,6]-4:C[5,6]-3:O[5,5]-2:C[5,6]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6,6a]N[5,6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	N[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[5,5,6]HH)(C[6]C[6]HH)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){3|C<3>,4|C<4>,6|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]C)(C[5,6]C[6,6a]N[5,6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,2|C<3>,6|H<1>}	N[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[5,5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.7900	0.000	1	108.7900	0.000	1	108.7900	0.000	1	108.7900	0.000	1	108.7900	0.000	1	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:1:	3:3:2:1:	4:3:3:	C[5,5,6]-4:N[5,6]-3:H-1:	N[5,5]-3:C[5,6]-3:S[5,6]-2:H-1:	Si[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]N[5,5]S[5,6]H)(N[5,6]Si[5,5,6]C[6a])(H)	C[5,5,6](N[5,5]Si[5,5,6]C[6a])(C[5,6]N[5,6]H)(S[5,6]S[5,6])(H)	N[5,6](Si[5,5,6]N[5,5]S[5,6]N)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2)	C[5,6](C[5,5,6]N[5,5]S[5,6]H)(N[5,6]Si[5,5,6]C[6a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5,5,6](N[5,5]Si[5,5,6]C[6a])(C[5,6]N[5,6]H)(S[5,6]S[5,6])(H){1|N<2>,3|C<3>}	N[5,6](Si[5,5,6]N[5,5]S[5,6]N)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	113.6520	0.000	1	113.6520	0.000	1	113.6520	0.000	1	113.6520	0.000	1	108.5717	25.352	3	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:1:	4:3:2:1:	4:3:3:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C[6a])(O)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C[6a])(O){2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H){1|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,1|O<2>,6|H<1>}	103.5830	0.000	1	103.5830	0.000	1	103.5830	0.000	1	103.5830	0.000	1	108.5717	25.352	3	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:2:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5,6]-3:N[6]-2:	C[5,5,6]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(N[6]C[6])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,6]N[6])(H)	N[5,6](C[5,6]C[5,5,6]N[6])(C[5]C[5,5,6]O)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(N[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5,6]N[5,6]N[6])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5,5,6]N[6])(C[5]C[5,5,6]O)(C[6]C[6]HH){3|C<4>,4|H<1>}	108.4800	0.000	1	108.4800	0.000	1	108.4800	0.000	1	108.4800	0.000	1	108.5717	25.352	3	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:2:	3:4:3:3:	3:3:3:	C[5,5,6]-4:N[5]-3:N[6]-2:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(N[6]N[6])	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]N[6])(CCO)	C[5,6](C[5,5,6]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(N[6]N[6]){1|H<1>,2|C<4>,5|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]N[6])(CCO){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	3:4:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	3:4:3:4:	3:3:4:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:S-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(SC[6a]OO)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5,6]HH){1|S<4>,2|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	3:4:3:4:	3:4:4:	C[5,5,6]-4:C[6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:S-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]S)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	105.8690	0.000	1	105.8690	0.000	1	105.8690	0.000	1	105.8690	0.000	1	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	3:4:4:3:	3:3:4:	C[5,5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5,5]-4:C[6]-4:N[5]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]H)(N[5]C[5]C)	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C)	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,2|C<4>,2|O<1>,4|H<1>}	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(CH3){1|N<3>,2|H<1>,3|C<4>}	106.5100	0.000	1	106.5100	0.000	1	106.5100	0.000	1	106.5100	0.000	1	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(N[5]C[5,6]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	N[5](C[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	107.8260	0.000	1	107.8260	0.000	1	107.8260	0.000	1	107.1672	0.576	18	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	106.9000	0.000	1	107.1786	0.801	7	107.1285	0.583	17	107.1672	0.576	18	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	106.2220	1.039	2	107.1786	0.801	7	107.1285	0.583	17	107.1672	0.576	18	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	107.1120	0.000	1	107.1786	0.801	7	107.1285	0.583	17	107.1672	0.576	18	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	107.9313	0.241	3	107.1786	0.801	7	107.1285	0.583	17	107.1672	0.576	18	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]N[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5,5]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	107.6750	0.000	1	107.6750	0.000	1	107.1285	0.583	17	107.1672	0.576	18	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	106.8825	0.664	4	106.8825	0.440	4	107.1285	0.583	17	107.1672	0.576	18	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	106.5340	1.110	2	107.1458	0.660	5	107.1285	0.583	17	107.1672	0.576	18	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	107.6840	0.238	2	107.1458	0.660	5	107.1285	0.583	17	107.1672	0.576	18	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	107.2930	0.000	1	107.1458	0.660	5	107.1285	0.583	17	107.1672	0.576	18	107.2842	0.885	23	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,5]	N[5,6]	4:3:3:	3:4:2:1:	3:4:3:	C[5,5]-4:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,5]-4:O[5]-2:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]C)	C[5,5](C[5,6]N[5,6]C[6])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	N[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]C){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5,6]N[5,6]C[6])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	108.2910	0.000	1	108.2910	0.000	1	108.2910	0.000	1	108.2910	0.000	1	108.2910	0.000	1	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	N[5,6]	4:3:3:	3:4:3:4:	3:3:3:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	N[5,6,6]-3:C[6,6]-4:C[5,6]-3:C-4:	Ge[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H)	C[5,6,6](N[5,6,6]Ge[5,6]C[6])(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6,6](N[5,6,6]Ge[5,6]C[6])(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>,3|C<4>}	115.3040	0.000	1	115.3040	0.000	1	115.3040	0.000	1	115.3040	0.000	1	114.9950	0.191	2	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6,6]	N[5,6]	4:3:3:	4:4:3:4:	3:3:3:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	N[5,6,6]-4:C[6,6]-4:C[5,6]-3:C-4:	Ge[5,6]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H)	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5,6](Ge[5,6]N[5,6,6]N[6,6])(C[5,6]C[5,6,6]C[6])(C[6]C[6]H){3|C<3>,3|C<4>,3|H<1>}	114.6860	0.000	1	114.6860	0.000	1	114.6860	0.000	1	114.6860	0.000	1	114.9950	0.191	2	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5,6]	4:3:2:	3:4:4:1:	3:4:4:	C[5,6]-4:N[5,6]-3:N[6]-2:	C[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[6]C[6])	C[5,6](C[5,6]N[5,6]N[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]CH)	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[6]C[6]){4|C<4>,8|H<1>}	C[5,6](C[5,6]N[5,6]N[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){3|C<4>,6|H<1>}	N[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]CH){3|C<4>,4|H<1>}	107.5750	0.000	1	107.5750	0.000	1	107.5750	0.000	1	107.5750	0.000	1	107.4190	0.049	2	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5,6]	4:3:3:	4:3:3:1:	4:3:3:	C[5,6]-4:N[5,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-3:N[6]-3:H-1:	C[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6,6]N[6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H)	N[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6,6]N[6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	107.4190	0.049	2	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]O)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O){1|C<4>,2|H<1>,3|C<3>}	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	110.7320	0.000	1	107.7993	6.118	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5]	4:3:2:	3:3:4:2:	3:3:4:	C[5,6]-4:N[5]-3:N[6]-2:	C[5,6]-3:C[6]-3:C[5]-4:O-2:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O)(N[5]C[6a]C[5])(N[6]C[6,6a])	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH)	N[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]O)(N[5]C[6a]C[5])(N[6]C[6,6a]){1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH){2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|C<3>,4|H<1>}	107.9085	0.100	2	107.9085	0.010	2	107.9085	0.010	2	107.9085	0.010	2	107.7993	6.118	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5]	4:3:2:	3:4:3:4:	3:3:4:	C[5,6]-4:N[5]-3:N[6]-2:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6])(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]){1|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6])(CCHH){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	107.7993	6.118	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5]	4:3:3:	3:3:4:1:	3:3:3:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-3:C-3:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(COO)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]H){3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(COO){2|C<3>,2|C<4>,3|H<1>}	100.5560	0.000	1	100.5560	0.000	1	100.5560	0.000	1	100.5560	0.000	1	107.7993	6.118	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5]	4:3:3:	3:3:4:1:	3:3:4:	C[5,6]-4:C[6]-3:N[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-3:S-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]H)(N[5]C[5]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(SC[6a]OO)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]H)(N[5]C[5]S){2|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]Cl2)(H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(SC[6a]OO){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	107.7993	6.118	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-3:P-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PNNO)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCHH){1|P<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PNNO){2|C<4>,2|H<1>,3|C<3>}	109.0075	0.433	2	109.0075	0.188	2	109.0075	0.188	2	109.0075	0.188	2	107.7993	6.118	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5]	4:3:3:	3:4:3:1:	3:4:4:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-3:C[5]-4:S-4:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]H)(N[5]C[5]S)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|S<4>,6|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H){1|S<4>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|N<3>,4|H<1>}	106.8015	0.175	2	106.8015	0.031	2	106.8015	0.031	2	106.8015	0.031	2	107.7993	6.118	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO){2|C<4>,4|H<1>}	105.8840	0.000	1	105.8840	0.000	1	105.8840	0.000	1	105.8840	0.000	1	107.7993	6.118	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5]	4:3:3:	3:4:4:3:	3:3:4:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(N[5]C[5]C){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,3|C<3>}	107.4435	1.155	2	107.4435	1.333	2	107.4435	1.333	2	107.4435	1.333	2	107.7993	6.118	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5]	4:3:3:	3:4:4:4:	3:3:3:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-3:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO){3|C<4>,3|H<1>}	106.2060	0.000	1	106.2060	0.000	1	106.2060	0.000	1	106.2060	0.000	1	107.7993	6.118	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5]	4:3:3:	3:4:4:4:	3:3:4:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	107.7993	6.118	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5]	4:3:3:	4:3:4:1:	3:4:4:	C[5,6]-4:C[6]-3:N[5]-3:	C[6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]C[5]C)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]2H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]2H){1|C<4>,2|C<3>,3|H<1>}	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	107.7993	6.118	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]O)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]O){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){2|C<4>,5|H<1>}	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	107.7993	6.118	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5]	4:4:3:	3:4:4:1:	3:4:4:	C[5,6]-4:C[6]-4:N[5]-3:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C){1|C<4>,7|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,1|W<7>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){1|W<7>,2|C<4>,4|H<1>}	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	107.7993	6.118	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,5,6]	3:4:3:	3:3:1:1:	6:3:3:	N[5,5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[5,5]-3:H-1:H-1:	Ga[5x5]-6:C[5,6]-3:C[5,6]-3:	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,5,6]C[6])(N[5,5]Ga[5x5]C[5])(H)2	N[5,5,6](Ga[5x5]N[5,5,6]N[5,5]2O[5]2)(C[5,6]C[5]C[6])2	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	C[5](C[5,6]N[5,5,6]C[6])(N[5,5]Ga[5x5]C[5])(H)2{1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	N[5,5,6](Ga[5x5]N[5,5,6]N[5,5]2O[5]2)(C[5,6]C[5]C[6])2{1|O<1>,3|C<4>,4|C<3>,5|H<1>}	113.5280	0.000	1	113.5280	0.000	1	113.5280	0.000	1	113.5280	0.000	1	113.6300	0.021	2	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,5,6]	3:4:3:	4:3:1:1:	6:3:3:	N[5,5,6]-3:C[5]-4:C[6]-3:	N[5,5]-4:C[5,6]-3:H-1:H-1:	Ga[5x5]-6:C[5,6]-3:C[5,6]-3:	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](N[5,5]Ga[5x5]C[5]H)(C[5,6]N[5,5,6]C[6])(H)2	N[5,5,6](Ga[5x5]N[5,5,6]N[5,5]2O[5]2)(C[5,6]C[5]C[6])2	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[5](N[5,5]Ga[5x5]C[5]H)(C[5,6]N[5,5,6]C[6])(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	N[5,5,6](Ga[5x5]N[5,5,6]N[5,5]2O[5]2)(C[5,6]C[5]C[6])2{1|O<1>,3|C<4>,4|C<3>,5|H<1>}	113.7320	0.000	1	113.7320	0.000	1	113.7320	0.000	1	113.7320	0.000	1	113.6300	0.021	2	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6,6]	3:2:4:	3:4:4:4:	4:3:3:	N[5,6,6]-3:N[6]-2:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	B[3x6]-4:C[5,6]-3:C[5,6]-3:	C[5,6](N[5,6,6]B[3x6]C[5,6])(N[6]C[5a,6])(C[5]C[5]CC)	C[5](C[5,6]N[5,6,6]N[6])(C[5]C[5,6]CC)(CH3)2	N[5,6,6](B[3x6]N[5a,6,6]2Cl)(C[5,6]C[5]N[6])2	C[5,6](N[5,6,6]B[3x6]C[5,6])(N[6]C[5a,6])(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|N<3>}	C[5](C[5,6]N[5,6,6]N[6])(C[5]C[5,6]CC)(CH3)2{1|B<4>,1|C<3>,1|N<2>}	N[5,6,6](B[3x6]N[5a,6,6]2Cl)(C[5,6]C[5]N[6])2{4|C<3>,4|C<4>}	107.6405	0.610	2	107.6405	0.372	2	107.6405	0.372	2	107.6405	0.372	2	108.3550	1.718	3	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6,6]	3:4:3:	4:3:1:1:	4:3:3:	N[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-3:C[6,6]-3:	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]N[5,6,6]C[6])(H)2	N[5,6,6](C[5,6,6]C[5,6]C[6]N[6])(C[5,6]C[5]C[6])(C[6,6]C[6]2)	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]N[5,6,6]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	N[5,6,6](C[5,6,6]C[5,6]C[6]N[6])(C[5,6]C[5]C[6])(C[6,6]C[6]2){6|C<3>,7|H<1>}	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	108.3550	1.718	3	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:2:4:	3:4:1:1:	3:3:4:	N[5,6]-3:N[6]-2:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]S)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH){1|S<1>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]S)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.7560	0.000	1	109.7560	0.000	1	109.7560	0.000	1	109.7560	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:2:4:	3:4:1:1:	3:4:4:	N[5,6]-3:N[6]-2:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CC)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CC){2|C<3>,4|H<1>}	108.9840	0.000	1	108.9840	0.000	1	108.7290	0.130	2	108.7290	0.130	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:2:4:	3:4:1:1:	3:4:4:	N[5,6]-3:N[6]-2:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH){3|C<3>,5|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CH){2|C<3>,4|H<1>}	108.4740	0.000	1	108.4740	0.000	1	108.7290	0.130	2	108.7290	0.130	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:2:4:	3:4:4:1:	3:4:4:	N[5,6]-3:N[6]-2:C[5]-4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]CH)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HO)(H)	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]CH){2|C<3>,6|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HO)(H){1|C<3>,1|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:3:4:	3:3:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[5]-4:	C[5,6]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC)	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(B[6]O[6]FF)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3){1|B<4>,1|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(B[6]O[6]FF){1|H<1>,2|C<4>,4|C<3>}	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:3:4:	3:4:1:1:	3:4:3:	C[6]-3:N[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[5,6](C[6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){3|C<3>,4|H<1>}	107.9885	0.142	2	107.9885	0.020	2	107.9885	0.020	2	108.0580	0.282	5	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:3:4:	3:4:1:1:	3:4:3:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)(H)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C)	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)(H)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	108.9560	0.000	1	108.9560	0.000	1	108.3415	0.755	2	108.0580	0.282	5	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:3:4:	3:4:1:1:	3:4:3:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)(H)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C)	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|F<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)(H)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	107.7270	0.000	1	107.7270	0.000	1	108.3415	0.755	2	108.0580	0.282	5	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:3:4:	3:4:1:1:	3:4:3:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	108.0580	0.282	5	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:3:4:	3:4:1:1:	3:4:4:	N[5,6]-3:N[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]B[5a]C[6])(C[5]C[5]HH)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(N[6]B[5a]C[6])(C[5]C[5]HH){1|B<4>,1|C<4>,2|O<2>,8|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|B<4>,1|C<4>,6|H<1>}	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:3:4:	3:4:1:1:	4:3:4:	N[5,6]-3:N[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	N[5,6](C[5]C[5a]C[5]C)(C[5,6]C[5]N[6])(C[6]C[6,6a]HH)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[5,6](C[5]C[5a]C[5]C)(C[5,6]C[5]N[6])(C[6]C[6,6a]HH){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:3:4:	3:4:2:1:	3:4:4:	N[5,6]-3:N[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HO)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(OH)(H)	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HO){2|C<3>,6|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:3:4:	3:4:4:4:	3:3:4:	C[6]-3:N[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[3x6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[6]C[3x6]P[3x6])(N[5,6]C[3x6]C[5])(C[5]C[5]CC)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2	N[5,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[5,6](C[6]C[3x6]P[3x6])(N[5,6]C[3x6]C[5])(C[5]C[5]CC){1|C<3>,2|H<1>,7|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<3>,3|C<4>}	N[5,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<3>,1|P<3>,2|H<1>,6|C<4>}	104.9610	0.000	1	104.9610	0.000	1	104.9610	0.000	1	105.4750	0.528	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:3:4:	3:4:4:4:	3:3:4:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[3x6]-3:C[5,6]-3:C[5]-4:	C[5,6](N[5,6]C[3x6]C[5])(C[6]P[3x6]C)(C[5]C[5]CC)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2	N[5,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[5,6](N[5,6]C[3x6]C[5])(C[6]P[3x6]C)(C[5]C[5]CC){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<3>,3|C<4>}	N[5,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<3>,1|P<3>,2|H<1>,6|C<4>}	105.9890	0.000	1	105.9890	0.000	1	105.9890	0.000	1	105.4750	0.528	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:3:4:	3:4:4:4:	3:4:3:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]CC)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C)	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]CC){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:2:1:1:	6:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:H-1:H-1:	In[5,5,6,6]-6:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5]O[5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(O[5]In[5,5,6,6])(H)2	N[5,6](In[5,5,6,6]N[5,6]2O[5]O[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[5](C[5,6]N[5,6]C[6])(O[5]In[5,5,6,6])(H)2{1|H<1>,2|C<3>,2|N<3>,2|O<2>}	N[5,6](In[5,5,6,6]N[5,6]2O[5]O[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H){2|C<4>,4|H<1>,5|C<3>}	115.9965	0.919	2	115.9965	0.844	2	115.9965	0.844	2	115.9965	0.844	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:2:4:1:	3:4:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:O[5]-2:C-4:H-1:	C[5,6]-3:B[5,5]-4:C[6]-3:	C[5,6](N[5,6]B[5,5]C[6])(C[5]O[5]CH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H)	N[5,6](C[5,6]C[5]C[6])(B[5,5]O[5]3)(C[6]C[6]H)	C[5,6](N[5,6]B[5,5]C[6])(C[5]O[5]CH)(C[6]C[6]H){1|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H){1|H<1>,2|C<3>,2|O<2>}	N[5,6](C[5,6]C[5]C[6])(B[5,5]O[5]3)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	109.2755	0.455	4	109.2755	0.207	4	109.2755	0.207	4	109.2755	0.207	4	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:B[5]-4:C[6]-3:	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2	N[5,6](C[5,6]C[5]C[6])(B[5]N[5]HH)(C[6]C[6]C)	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2{3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[5]N[5]HH)(C[6]C[6]C){2|C<3>,4|H<1>}	111.7650	0.000	1	111.7650	0.000	1	111.5640	0.081	2	111.5640	0.081	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:B[5]-4:C[6]-3:	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2	N[5,6](C[5,6]C[5]C[6])(B[5]N[5]HO)(C[6]C[6]C)	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2{1|O<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[5]N[5]HO)(C[6]C[6]C){2|C<3>,4|H<1>}	111.3630	0.000	1	111.3630	0.000	1	111.5640	0.081	2	111.5640	0.081	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:1:1:	3:5:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:Si[5]-5:C[6]-3:	C[5,6](N[5,6]Si[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]Si[5])(H)2	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H)	C[5,6](N[5,6]Si[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){3|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]Si[5])(H)2{3|Cl<1>,1|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H){2|C<3>,4|H<1>}	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:1:1:	4:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)2	N[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)2{2|H<1>,3|C<3>}	N[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:1:1:	5:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,5]-3:C[5,6]-3:H-1:H-1:	Si[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Br)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|Br<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|Br<1>,1|H<1>,1|S<2>,5|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Br)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	113.8140	0.000	1	113.8140	0.000	1	113.6364	0.044	7	113.6364	0.044	7	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:1:1:	5:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,5]-3:C[5,6]-3:H-1:H-1:	Si[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|Cl<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|Cl<1>,1|H<1>,1|S<2>,5|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	113.6085	0.213	2	113.6085	0.045	2	113.6364	0.044	7	113.6364	0.044	7	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:1:1:	5:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,5]-3:C[5,6]-3:H-1:H-1:	Si[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	N[5,6](Si[5,5]N[5,5]C[6a]S[5]N)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|H<1>,1|N<2>,1|S<2>,5|C<3>}	N[5,6](Si[5,5]N[5,5]C[6a]S[5]N)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>}	113.6600	0.270	3	113.6600	0.073	3	113.6364	0.044	7	113.6364	0.044	7	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:1:1:	5:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,5]-3:C[5,6]-3:H-1:H-1:	Si[5,5]-5:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	N[5,6](Si[5,5]N[5,5]S[5]CO)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>,4|C<3>}	N[5,6](Si[5,5]N[5,5]S[5]CO)(C[5,6]C[5]C[6])(C[6]C[6]H){3|C<3>,4|H<1>}	113.4440	0.000	1	113.4440	0.000	1	113.6364	0.044	7	113.6364	0.044	7	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:1:1:	6:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:H-1:H-1:	Ga[5,5,6,6]-6:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Ga[5,5,6,6]C[6])(C[5]N[5,6]HH)(C[6]C[6]H)	C[5](N[5,6]Ga[5,5,6,6]S[6])(C[5,6]N[5,6]C[6])(H)2	N[5,6](Ga[5,5,6,6]N[5,6]3O[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Ga[5,5,6,6]C[6])(C[5]N[5,6]HH)(C[6]C[6]H){1|C<3>,1|S<4>,2|H<1>,2|N<3>,2|O<2>}	C[5](N[5,6]Ga[5,5,6,6]S[6])(C[5,6]N[5,6]C[6])(H)2{1|H<1>,2|N<3>,2|O<1>,2|O<2>,3|C<3>}	N[5,6](Ga[5,5,6,6]N[5,6]3O[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,2|S<4>,4|H<1>,5|C<3>}	117.8510	0.260	2	117.8510	0.068	2	117.8510	0.068	2	117.8510	0.068	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:4:1:	3:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH)(H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]H){1|Cd<5>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH)(H){1|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Cd<5>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	104.7180	0.000	1	104.7180	0.000	1	104.7180	0.000	1	106.0160	3.370	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:4:1:	3:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C-4:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	107.3140	0.000	1	107.3140	0.000	1	107.3140	0.000	1	106.0160	3.370	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:4:2:	3:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:C-4:O-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Fe)(CH3)(OH)	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]H){1|Fe<6>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Fe)(CH3)(OH){1|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Fe<6>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	108.5900	0.214	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:4:2:	3:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-3:C-4:O-2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CO)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(CH3)(OH)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CO)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(CH3)(OH){2|C<3>,2|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]H){1|Ru<6>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	108.5900	0.214	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:4:4:	3:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|C<2>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2{2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	110.0100	0.000	1	110.1320	0.030	2	110.1320	0.030	2	110.1320	0.030	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:3:4:4:	3:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|C<2>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2{2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	110.2540	0.000	1	110.1320	0.030	2	110.1320	0.030	2	110.1320	0.030	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:4:1:1:	3:4:4:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C){2|C<4>,7|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	110.4456	1.538	5	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:4:1:1:	3:4:4:	N[5,6]-3:C[5]-4:N[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,8|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	110.7115	0.183	2	110.7115	0.034	2	110.9690	0.224	4	110.4456	1.538	5	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:4:1:1:	3:4:4:	N[5,6]-3:C[5]-4:N[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,7|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,7|H<1>}	110.7950	0.000	1	111.2265	0.372	2	110.9690	0.224	4	110.4456	1.538	5	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:4:1:1:	3:4:4:	N[5,6]-3:C[5]-4:N[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,8|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,7|H<1>}	111.6580	0.000	1	111.2265	0.372	2	110.9690	0.224	4	110.4456	1.538	5	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:4:1:1:	4:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:H-1:H-1:	B[5,5]-4:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]B[5,5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,5]B[5]2)(H)2	N[5,6](B[5,5]C[5]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]B[5,5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,2|B<3>,2|H<1>,2|O<2>}	C[5](C[5,6]N[5,6]C[6])(C[5]B[5,5]B[5]2)(H)2{1|H<1>,2|C<3>,6|O<2>}	N[5,6](B[5,5]C[5]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<3>,2|B<3>,2|C<4>,4|H<1>}	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	114.4385	8.500	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:4:1:1:	4:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:P[5]-4:H-1:H-1:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]HH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(H)2	N[5,6](B[5]C[6a]P[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]C)	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]HH)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(H)2{1|Cl<1>,1|H<1>,3|C<3>}	N[5,6](B[5]C[6a]P[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	116.5000	0.000	1	116.5000	0.000	1	116.5000	0.000	1	114.4385	8.500	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:4:3:1:	3:4:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Ga[5])(H)	N[5,6](C[5,6]C[5]C[6])(Ga[5]N[5]II)(C[6]C[6]H)	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H){1|N<3>,2|I<1>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Ga[5])(H){1|Ga<4>,1|H<1>,1|N<3>,2|I<1>,6|C<3>}	N[5,6](C[5,6]C[5]C[6])(Ga[5]N[5]II)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	116.7230	0.000	1	116.7230	0.000	1	115.5320	2.837	2	115.5320	2.837	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:4:3:1:	3:4:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]Ga[5]C)(H)	N[5,6](C[5,6]C[5]C[6])(Ga[5]N[5]II)(C[6]C[6]H)	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|I<1>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]Ga[5]C)(H){1|Ga<4>,1|C<4>,1|H<1>,1|N<3>,2|I<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(Ga[5]N[5]II)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	114.3410	0.000	1	114.3410	0.000	1	115.5320	2.837	2	115.5320	2.837	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:4:3:1:	3:4:4:	N[5,6]-3:C[5]-4:N[6]-3:	C[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(N[6]C[6]C)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(COS)(H)	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(N[6]C[6]C){1|C<4>,8|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(COS)(H){2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	110.9725	1.327	2	110.9725	1.762	2	110.9725	1.762	2	111.1183	0.945	3	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:4:3:1:	3:4:4:	N[5,6]-3:C[5]-4:N[6]-3:	C[5,6]-3:C[5]-4:P-3:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HP)(N[6]C[6]H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(PC[6a]C)(H)	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HP)(N[6]C[6]H){1|C<4>,8|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(PC[6a]C)(H){2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|P<3>,6|H<1>}	111.4100	0.000	1	111.4100	0.000	1	111.4100	0.000	1	111.1183	0.945	3	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:4:3:1:	3:5:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	C[5,6]-3:Si[5]-5:C[6]-3:	C[5,6](N[5,6]Si[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Si[5])(H)	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H)	C[5,6](N[5,6]Si[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Si[5])(H){1|Si<5>,3|Cl<1>,1|H<1>,1|N<3>,6|C<3>}	N[5,6](C[5,6]C[5]C[6])(Si[5]N[5]Cl3)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	113.2755	0.084	2	113.2755	0.007	2	113.2755	0.007	2	113.2755	0.007	2	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:4:4:1:	3:4:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:4:4:1:	4:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:P[5]-4:Ga-4:H-1:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]GaH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(GaCl3)(H)	N[5,6](B[5]C[6a]P[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]C)	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]GaH)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	C[5](C[5,6]N[5,6]C[6])(P[5]B[5]CC)(GaCl3)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5,6](B[5]C[6a]P[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]C){1|Ga<4>,2|C<4>,3|C<3>,3|H<1>}	118.3800	0.000	1	118.3800	0.000	1	118.3800	0.000	1	118.3800	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	3:4:4:3:	3:4:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5]-4:C-4:C-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]C)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CCHH)(COO)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CCHH)(COO){1|C<3>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	4:3:1:1:	6:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	N[3x5]-4:C[5,6]-3:H-1:H-1:	Ga[3x5,6,6]-6:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5,6]N[5,6]C[6])(H)2	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>,2|N<4>,2|O<2>}	C[5](N[3x5]Ga[3x5,6,6]C[5]2)(C[5,6]N[5,6]C[6])(H)2{2|C<3>,2|C<4>,2|N<4>,2|O<2>,5|H<1>}	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H){3|C<3>,6|C<4>,6|H<1>}	117.2735	0.274	2	117.2735	0.075	2	117.2735	0.075	2	116.9540	1.289	7	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	4:3:1:1:	6:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	N[3x5]-4:C[5,6]-3:H-1:H-1:	Ga[5x5]-6:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Ga[5x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5,6]N[5,6]C[6])(H)2	N[5,6](Ga[5x5]N[3x5]2N[5,6]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Ga[5x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	C[5](N[3x5]Ga[5x5]C[5,6]C[5])(C[5,6]N[5,6]C[6])(H)2{1|N<3>,1|N<4>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	N[5,6](Ga[5x5]N[3x5]2N[5,6]O[5]2)(C[5,6]C[5]C[6])(C[6]C[6]H){4|H<1>,5|C<3>,5|C<4>}	116.2800	0.000	1	116.2800	0.000	1	116.2800	0.000	1	116.9540	1.289	7	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	4:3:1:1:	6:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	N[3x5]-4:C[5,6]-3:H-1:H-1:	In[3x5]-6:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]In[3x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	C[5](N[3x5]In[3x5]C[5]2)(C[5,6]N[5,6]C[6])(H)2	N[5,6](In[3x5]N[3x5]N[5]2N[6]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]In[3x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>,3|N<3>}	C[5](N[3x5]In[3x5]C[5]2)(C[5,6]N[5,6]C[6])(H)2{1|Cl<1>,2|C<3>,2|C<4>,3|N<3>,5|H<1>}	N[5,6](In[3x5]N[3x5]N[5]2N[6]Cl)(C[5,6]C[5]C[6])(C[6]C[6]H){2|S<4>,3|C<3>,4|C<4>,4|H<1>}	118.4080	0.000	1	118.4080	0.000	1	118.4080	0.000	1	116.9540	1.289	7	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	4:3:1:1:	6:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,5]-4:C[5,6]-3:H-1:H-1:	Ga[3x5]-6:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5,6]N[5,6]C[6])(H)2	N[5,6](Ga[3x5]N[5,5]2N[5,6]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|N<4>,3|H<1>}	C[5](N[5,5]Ga[3x5]C[5]H)(C[5,6]N[5,6]C[6])(H)2{2|Cl<1>,1|C<4>,1|N<3>,1|N<4>,2|C<3>,3|H<1>}	N[5,6](Ga[3x5]N[5,5]2N[5,6]Cl2)(C[5,6]C[5]C[6])(C[6]C[6]H){3|C<3>,3|C<4>,6|H<1>}	115.6435	0.095	2	115.6435	0.009	2	115.6435	0.009	2	116.9540	1.289	7	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	4:3:1:1:	6:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,5]-4:C[5,6]-3:H-1:H-1:	In[5,5]-6:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[5](N[5,5]In[5,5]C[5]H)(C[5,6]N[5,6]C[6])(H)2	N[5,6](In[5,5]N[5,5]N[5,6]Br3)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){3|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](N[5,5]In[5,5]C[5]H)(C[5,6]N[5,6]C[6])(H)2{3|Br<1>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](In[5,5]N[5,5]N[5,6]Br3)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	118.1560	0.000	1	118.1560	0.000	1	118.1560	0.000	1	116.9540	1.289	7	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	5:3:1:1:	6:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[3x3,4x5,12x6]-5:C[5,6]-3:H-1:H-1:	B[4x3,4x5,12x6]-6:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]B[4x3,4x5,12x6]C[6])(C[5]C[3x3,4x5,12x6]HH)(C[6]C[6]H)	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2)(C[5,6]N[5,6]C[6])(H)2	N[5,6](B[4x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]H[3])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]B[4x3,4x5,12x6]C[6])(C[5]C[3x3,4x5,12x6]HH)(C[6]C[6]H){1|B<5>,1|C<3>,1|H<2>,2|H<1>,4|B<6>}	C[5](C[3x3,4x5,12x6]B[3x3,3x5,12x6]B[4x3,4x5,12x6]B[5x3,3x5,11x6]2)(C[5,6]N[5,6]C[6])(H)2{1|H<2>,2|C<3>,4|H<1>,5|B<6>}	N[5,6](B[4x3,4x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]H[3])(C[5,6]C[5]C[6])(C[6]C[6]H){1|B<5>,1|C<3>,4|B<6>,7|H<1>}	113.6430	0.000	1	113.6430	0.000	1	113.6430	0.000	1	113.6430	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	3:4:3:	6:3:1:1:	6:3:3:	N[5,6]-3:C[5]-4:C[6]-3:	C[5x3,6x5,20x6]-6:C[5,6]-3:H-1:H-1:	B[5x3,6x5,20x6]-6:C[5,6]-3:C[6]-3:	C[5,6](N[5,6]B[5x3,6x5,20x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(C[6]C[6]H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4B[5x3,6x5,20x6])(C[5,6]N[5,6]C[6])(H)2	N[5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]B[5x3,6x5,20x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(C[6]C[6]H){1|C<3>,2|H<1>,6|B<6>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4B[5x3,6x5,20x6])(C[5,6]N[5,6]C[6])(H)2{2|C<3>,5|B<6>,5|H<1>}	N[5,6](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<3>,5|B<6>,8|H<1>}	113.3960	0.000	1	113.3960	0.000	1	113.3960	0.000	1	113.3960	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	4:3:2:	3:3:3:2:	3:3:4:	C[5]-4:N[5,6]-3:N[6]-2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5]C[5,6a]C[6a]O)(N[5,6]C[5,6a]C[6])(N[6]C[6,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(OH)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]HH)	C[5,6](C[5]C[5,6a]C[6a]O)(N[5,6]C[5,6a]C[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|O<2>,5|C<3>}	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]Os)(C[6]C[6]H)	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H){1|Os<6>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH){1|Os<6>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]Os)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	109.0330	0.262	2	109.0330	0.068	2	108.6783	0.412	3	108.6783	0.412	3	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]Ru)(OH)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H){1|Ru<6>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]Ru)(OH){3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H){1|Ru<6>,1|O<2>,2|C<3>,2|H<1>}	107.9690	0.000	1	107.9690	0.000	1	108.6783	0.412	3	108.6783	0.412	3	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5,6]	C[5]	N[5,6]	4:3:3:	4:3:3:1:	4:3:3:	C[5]-4:N[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,6|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	111.6096	11.689	72	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[3x5,6,6]	N[5]	4:3:1:	4:4:4:3:	3:3:1:	C[3x5,6,6]-4:N[5]-3:O-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(N[5]C[5]H)(O)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[4,5,6]O[5,5]H)2(C[5]N[5]O)	N[5](C[5]C[3x5,6,6]O)2(H)	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(N[5]C[5]H)(O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[4,5,6]O[5,5]H)2(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[3x5,6,6]O)2(H){4|C<4>}	107.9238	0.234	5	107.9238	0.055	5	107.8917	0.050	6	107.8917	0.050	6	107.9286	0.039	10	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[3x5,6,6]	N[5]	4:3:1:	4:4:4:3:	3:3:1:	C[3x5,6,6]-4:N[5]-3:O-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(N[5]C[5]H)(O)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,6]O[5,5]H)2(C[5]N[5]O)	N[5](C[5]C[3x5,6,6]O)2(H)	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(N[5]C[5]H)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,6]O[5,5]H)2(C[5]N[5]O){1|O<1>,2|C<3>,5|H<1>}	N[5](C[5]C[3x5,6,6]O)2(H){4|C<4>}	107.7310	0.000	1	107.7310	0.000	1	107.8917	0.050	6	107.8917	0.050	6	107.9286	0.039	10	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[3x5,6,6]	N[5]	4:3:1:	4:4:4:3:	3:3:3:	C[3x5,6,6]-4:N[5]-3:O-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(N[5]C[6a]C[5])(O)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,6]O[5,5]H)2(C[5]N[5]O)	N[5](C[5]C[3x5,6,6]O)2(C[6a]C[6a]2)	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,6]O[5,5]H)2(C[5]N[5]O){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[3x5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	107.9720	0.279	2	107.9720	0.078	2	107.9720	0.078	2	107.9720	0.078	2	107.9286	0.039	10	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[3x5,6,6]	N[5]	4:3:1:	4:4:4:3:	3:3:4:	C[3x5,6,6]-4:N[5]-3:O-1:	C[3x5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(N[5]C[5]C)(O)	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,6]O[5,5]H)2(C[5]N[5]O)	N[5](C[5]C[3x5,6,6]O)2(CC[6a]HH)	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x5,6,6](C[3x5,6,6]C[5,5,6]2C[5])(C[5,5,6]C[5,6]O[5,5]H)2(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[3x5,6,6]O)2(CC[6a]HH){4|C<4>}	107.9960	0.014	2	107.9960	0.000	2	107.9960	0.000	2	107.9960	0.000	2	107.9286	0.039	10	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[3x5,6]	N[5]	4:3:1:	4:4:4:3:	3:3:3:	C[3x5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C[5]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(N[5]C[6a]N[5])(O)	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]N[5]O)	N[5](C[5]C[3x5,6]O)(N[5]C[5,5,6]C)(C[6a]C[6a]2)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(N[5]C[6a]N[5])(O){3|C<3>,3|H<1>,5|C<4>}	C[3x5,6](C[5,5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5]N[5]O){2|C<3>,5|H<1>}	N[5](C[5]C[3x5,6]O)(N[5]C[5,5,6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	108.0630	0.000	1	108.0630	0.000	1	108.0630	0.000	1	108.0630	0.000	1	108.0630	0.000	1	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[3x5]	N[5]	4:3:1:	4:4:2:3:	4:3:3:	C[3x5]-4:N[5]-3:O-1:	C[3x5]-4:C[5,5]-4:S[5]-2:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[3x5]C[3x5]C[5,5]S[5])(N[5]C[5,5]C[6a])(O)	C[3x5](C[3x5]C[5,5]C[5]S[5])(C[5,5]C[5,6a]N[5]N)(S[5]C[5,6a])(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[3x5]N)(C[5]C[3x5]O)(C[6a]C[6a]2)	C[5](C[3x5]C[3x5]C[5,5]S[5])(N[5]C[5,5]C[6a])(O){1|S<2>,3|N<3>,6|C<3>}	C[3x5](C[3x5]C[5,5]C[5]S[5])(C[5,5]C[5,6a]N[5]N)(S[5]C[5,6a])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[3x5]N)(C[5]C[3x5]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|S<2>,5|C<3>}	107.9685	0.415	2	107.9685	0.172	2	107.9685	0.172	2	107.9685	0.172	2	108.6129	0.661	11	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[3x5]	N[5]	4:3:1:	4:4:3:2:	4:3:1:	C[3x5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[3x5]C[5,5]2O[5])(N[5]C[5]H)(O)	C[3x5](C[5,5]C[5]O[5]H)2(C[5]N[5]O)(O[5]C[5])	N[5](C[5]C[5,5]C[5a]C)(C[5]C[3x5]O)(H)	C[5](C[3x5]C[5,5]2O[5])(N[5]C[5]H)(O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x5](C[5,5]C[5]O[5]H)2(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]C[5a]C)(C[5]C[3x5]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	108.0480	0.000	2	108.0480	0.000	2	108.0480	0.000	2	108.0480	0.000	2	108.6129	0.661	11	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[3x5]	N[5]	4:3:1:	4:4:3:2:	4:3:4:	C[3x5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O[5]-2:	C[5]-4:C[5]-3:C-4:	C[5](C[3x5]C[5,5]2O[5])(N[5]C[5]C)(O)	C[3x5](C[5,5]C[5]2H)2(C[5]N[5]O)(O[5]C[5])	N[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(CC[6a]HH)	C[5](C[3x5]C[5,5]2O[5])(N[5]C[5]C)(O){2|C<3>,2|C<4>,4|H<1>}	C[3x5](C[5,5]C[5]2H)2(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	107.1760	0.000	1	107.1760	0.000	1	107.1760	0.000	1	107.1760	0.000	1	108.6129	0.661	11	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[3x5]	N[5]	4:3:1:	4:4:3:3:	4:3:1:	C[3x5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]H)(O)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(H)	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]H)(O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){2|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(H){1|C<3>,1|C<4>,2|O<2>}	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	108.6129	0.661	11	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[3x5]	N[5]	4:3:1:	4:4:3:3:	4:3:4:	C[3x5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]C)(O)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3)	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,2|H<1>,6|C<4>}	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3){1|C<3>,1|C<4>,2|O<2>}	109.6130	0.000	1	109.4583	0.018	3	109.4583	0.018	3	109.4583	0.018	3	108.6129	0.661	11	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[3x5]	N[5]	4:3:1:	4:4:3:3:	4:3:4:	C[3x5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]C)(O)	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O)	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3)	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[3x5](C[5,5]C[5,6]C[5]H)(C[5,5]C[5]O[5]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,3|H<1>,5|C<4>}	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3){1|C<3>,1|C<4>,2|O<2>}	109.3810	0.023	2	109.4583	0.018	3	109.4583	0.018	3	109.4583	0.018	3	108.6129	0.661	11	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[3x5]	N[5]	4:3:1:	4:4:4:3:	3:3:3:	C[3x5]-4:N[5]-3:O-1:	C[3x5]-4:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[3x5]C[3x5]C[5,5]C[5])(N[5]C[6a]C[5])(O)	C[3x5](C[3x5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[3x5]O)2(C[6a]C[6a]2)	C[5](C[3x5]C[3x5]C[5,5]C[5])(N[5]C[6a]C[5])(O){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[3x5](C[3x5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,3|C<3>,7|H<1>}	N[5](C[5]C[3x5]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	109.1285	0.332	2	109.1285	0.110	2	109.1285	0.110	2	109.1285	0.110	2	108.6129	0.661	11	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,3x6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,3x6]-4:N[5]-3:O-1:	C[5,6,6]-3:C[3x6]-4:C[6,6]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,3x6]C[5,6,6]C[3x6]C[6,6])(N[5]C[5]C)(O)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O)	N[5](C[5]C[5,3x6]O)(C[5]C[5,6,6]O)(CCHH)	C[5](C[5,3x6]C[5,6,6]C[3x6]C[6,6])(N[5]C[5]C)(O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	N[5](C[5]C[5,3x6]O)(C[5]C[5,6,6]O)(CCHH){1|C<4>,2|C<3>}	107.5400	0.178	2	107.5400	0.032	2	107.5400	0.032	2	107.5400	0.032	2	108.8463	1.572	9	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,3x6]	N[5]	4:3:1:	4:4:2:3:	3:3:4:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O)	N[5](C[5]C[5,3x6]O)2(CC[6a]HH)	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|Br<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2Br)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	N[5](C[5]C[5,3x6]O)2(CC[6a]HH){2|C<4>,2|S<2>}	108.9265	0.317	2	108.9265	0.101	2	109.2768	1.604	6	109.2768	1.604	6	108.8463	1.572	9	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,3x6]	N[5]	4:3:1:	4:4:2:3:	3:3:4:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O)	N[5](C[5]C[5,3x6]O)2(CC[6a]HH)	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|S<2>,4|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2C)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	N[5](C[5]C[5,3x6]O)2(CC[6a]HH){2|C<4>,2|S<2>}	109.0790	0.000	1	109.0790	0.000	1	109.2768	1.604	6	109.2768	1.604	6	108.8463	1.572	9	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,3x6]	N[5]	4:3:1:	4:4:2:3:	3:3:4:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	N[5](C[5]C[5,3x6]O)2(CC[6a]HH)	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,6|C<3>}	N[5](C[5]C[5,3x6]O)2(CC[6a]HH){2|C<4>,2|S<2>}	110.0585	2.443	2	109.5763	3.682	3	109.2768	1.604	6	109.2768	1.604	6	108.8463	1.572	9	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,3x6]	N[5]	4:3:1:	4:4:2:3:	3:3:4:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6]-4:C[3x6]-4:S[6]-2:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O)	N[5](C[5]C[5,3x6]O)2(CC[6a]HH)	C[5](C[5,3x6]C[5,3x6]C[3x6]S[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]S[6])(C[3x6]C[6,6,6a]2H)(S[6]C[5,6])(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	N[5](C[5]C[5,3x6]O)2(CC[6a]HH){2|C<4>,2|S<2>}	108.6120	0.000	1	109.5763	3.682	3	109.2768	1.604	6	109.2768	1.604	6	108.8463	1.572	9	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,3x6]	N[5]	4:3:1:	4:4:4:3:	3:3:3:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6]-4:C[3x6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(N[5]C[6a]C[5])(O)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5]C[5,3x6]O)2(C[6a]C[6a]2)	C[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(N[5]C[6a]C[5])(O){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	N[5](C[5]C[5,3x6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	108.8463	1.572	9	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6,6]	N[5]	4:3:1:	4:4:4:3:	3:3:3:	C[5,5,6,6]-4:N[5]-3:O-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(N[5]C[6a]C[5])(O)	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5]C[5,5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(N[5]C[6a]C[5])(O){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]N[5]O){1|O<1>,3|C<3>,7|H<1>}	N[5](C[5]C[5,5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	109.5280	0.228	2	109.5280	0.052	2	109.5280	0.052	2	109.5280	0.052	2	109.5280	0.052	2	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5,5]	4:3:1:	4:4:3:1:	3:4:3:	C[5,5,6]-4:N[5,5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	N[5,5]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]N[5,5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H)	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]N[5,5])(O){1|C<3>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H){3|C<4>,5|H<1>}	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	106.9550	0.000	1	106.9550	0.000	1	106.9550	0.000	1	106.9550	0.000	1	107.6502	0.226	6	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5,5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5,5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,5]C[5,5]C[5])(O)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H)	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,5]C[5,5]C[5])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H){3|C<4>,4|H<1>}	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH){1|O<2>,2|C<4>,5|H<1>}	107.5450	0.172	3	107.5450	0.029	3	107.7892	0.137	5	107.7892	0.137	5	107.6502	0.226	6	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5,5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5,5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,5]C[5,5]C[5])(O)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H)	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,5]C[5,5]C[5])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H){1|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	108.1555	0.206	2	108.1555	0.042	2	107.7892	0.137	5	107.7892	0.137	5	107.6502	0.226	6	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5,6]	3:4:1:	4:4:3:1:	4:3:3:	N[5,6]-3:C[5,5,6]-4:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6]2H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]O)(H)	N[5,6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5,6]O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6]2H)(O){3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,6]O)(H){1|C<4>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5,6]O){2|C<3>,4|C<4>,4|H<1>}	108.3080	0.079	2	108.3080	0.006	2	108.3080	0.006	2	108.3080	0.006	2	108.1830	0.288	4	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5,6]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5,6]O)(H)	N[5,6](C[5,6]C[5,5,6]N[6])(C[5]C[5,5,6]O)(C[6]C[6]HH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(O){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5,6]O)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5,6](C[5,6]C[5,5,6]N[6])(C[5]C[5,5,6]O)(C[6]C[6]HH){3|C<4>,4|H<1>}	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	108.1830	0.288	4	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5,6]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5,6]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(O)	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]O)(H)	N[5,6](C[5,6]C[3x5,6]C[5a,6]H)(C[5]C[5,5,6]O)(C[6]C[6]CH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[3x5,6]C[5a,6]H)(C[5]C[5,5,6]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	107.4270	0.000	1	107.4270	0.000	1	107.4270	0.000	1	107.4270	0.000	1	108.1830	0.288	4	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	3:4:2:3:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(N[5]C[5,6a]C)(O)	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O)(CH3)	C[5](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5,6]C[3x5]C[5,6]H)(O[5]C[5,5])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>,2|O<2>,4|C<4>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.1260	0.148	2	108.1260	0.022	2	108.1260	0.022	2	108.1260	0.022	2	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:N[5,5,6]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]N[5,5,6]H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,5,6]C[5,5,6]C[5])(C[5]N[5]O)(H)	N[5](C[5]N[5,5,6]CC)(C[5]C[5,5,6]O)(CCHH)	C[5](C[5,5,6]C[5,5,6]N[5,5,6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,5,6]C[5,5,6]C[5])(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<4>}	N[5](C[5]N[5,5,6]CC)(C[5]C[5,5,6]O)(CCHH){1|H<1>,2|C<4>}	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]N[5,6])(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]N[5,6,6]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]N[5]O)	N[5](C[5]C[5,5,6]O)2(CH3)	C[5](C[5,5,6]C[5,5,6]C[5,6a]N[5,6])(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,5,6](C[5,5,6]N[5,6,6]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]N[5]O){2|H<1>,2|O<1>,3|C<4>,5|C<3>}	N[5](C[5]C[5,5,6]O)2(CH3){1|C<3>,1|C<4>,2|N<3>}	106.2650	0.000	1	106.2650	0.000	1	106.2650	0.000	1	106.2650	0.000	1	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:3:3:3:	4:3:3:	C[5,5,6]-4:N[5]-3:S-1:	C[5,6]-4:N[5,5]-3:C[5]-3:C[6]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(N[5]C[6a]B[5])(S)	C[5,5,6](C[5,6]C[6]S[5]H)(N[5,5]B[5]C[5])(C[5]N[5]S)(C[6]C[6]H)	N[5](B[5]N[5,5]C[6a]C)(C[5]C[5,5,6]S)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(N[5]C[6a]B[5])(S){1|S<2>,2|H<1>,7|C<3>}	C[5,5,6](C[5,6]C[6]S[5]H)(N[5,5]B[5]C[5])(C[5]N[5]S)(C[6]C[6]H){2|H<1>,5|C<3>}	N[5](B[5]N[5,5]C[6a]C)(C[5]C[5,5,6]S)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	109.4850	0.337	2	109.4850	0.113	2	109.4850	0.113	2	109.4850	0.113	2	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[6a]C[5])(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,3|C<3>,5|H<1>}	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	107.4800	0.221	2	107.4800	0.049	2	107.4800	0.049	2	107.4800	0.049	2	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CHHO)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CHHO){1|H<1>,2|C<3>,2|C<4>}	107.8080	0.000	1	107.8080	0.000	1	107.8815	0.412	4	107.7718	0.369	5	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CH3)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.0790	0.000	1	108.0790	0.000	1	107.8815	0.412	4	107.7718	0.369	5	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	C[5,5,6](C[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5]O[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|C<2>,2|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.5890	0.000	1	108.5890	0.000	1	107.8815	0.412	4	107.7718	0.369	5	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O)	C[5,5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5,5,6](C[5,5,6]N[5,6]S[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CH)(C[5]N[5]O){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.0500	0.000	1	107.0500	0.000	1	107.8815	0.412	4	107.7718	0.369	5	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:N[5,6,6]-3:C[5,5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]N[5,6,6]C[5,5])(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5,6,6]C[6,6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	N[5](C[5]C[5,5,6]O)2(CH3)	C[5](C[5,5,6]C[5,5,6]N[5,6,6]C[5,5])(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5,6,6]C[6,6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,7|C<3>}	N[5](C[5]C[5,5,6]O)2(CH3){1|C<3>,1|C<4>,2|N<3>}	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	107.7718	0.369	5	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	N[5](C[5]C[5,5,6]O)2(H){2|C<4>,2|H<1>}	108.0658	0.836	4	108.0658	0.698	4	108.3568	0.297	29	108.3568	0.297	29	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(H){1|H<1>,3|C<4>}	108.7180	0.000	1	108.7180	0.000	1	108.3568	0.297	29	108.3568	0.297	29	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5,6]O)2(H){2|C<4>,2|H<1>}	108.0055	0.500	2	107.9117	0.109	4	108.3568	0.297	29	108.3568	0.297	29	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(H){2|C<4>,2|H<1>}	107.9610	0.000	1	107.9117	0.109	4	108.3568	0.297	29	108.3568	0.297	29	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5,6]O)2(H){2|C<4>,2|H<1>}	107.6750	0.000	1	107.9117	0.109	4	108.3568	0.297	29	108.3568	0.297	29	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(H){2|C<4>,2|H<1>}	108.5685	0.144	2	108.4599	0.190	9	108.3568	0.297	29	108.3568	0.297	29	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	N[5](C[5]C[5,5,6]O)2(H){2|C<4>,2|H<1>}	108.6618	0.351	5	108.4599	0.190	9	108.3568	0.297	29	108.3568	0.297	29	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5,6]O)2(H){2|C<4>,2|H<1>}	107.8465	0.172	2	108.4599	0.190	9	108.3568	0.297	29	108.3568	0.297	29	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(H){2|C<4>,2|H<1>}	108.6276	0.387	7	108.5453	0.289	10	108.3568	0.297	29	108.3568	0.297	29	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	N[5](C[5]C[5,5,6]O)2(H){2|C<4>,2|H<1>}	108.8330	0.404	2	108.5453	0.289	10	108.3568	0.297	29	108.3568	0.297	29	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(H){2|C<4>,2|H<1>}	107.3940	0.000	1	108.5453	0.289	10	108.3568	0.297	29	108.3568	0.297	29	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[5a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5,6]O)2(H){2|C<4>,2|H<1>}	108.1280	0.000	1	108.1280	0.000	1	108.3568	0.297	29	108.3568	0.297	29	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:2:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]O)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(OC[6a])	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]O)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(OC[6a]){2|C<4>,2|H<1>}	105.9160	0.761	2	105.9160	0.579	2	105.9160	0.579	2	105.9160	0.579	2	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]N[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|N<3>}	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]N[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.1390	0.000	1	108.1390	0.000	1	108.1065	0.098	6	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|S<2>}	C[5,5,6](C[3x5,6]N[5,5,6]S[5,5]S[5])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.1000	0.349	5	108.1000	0.122	5	108.1065	0.098	6	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5260	0.167	2	108.5260	0.028	2	108.6687	0.075	3	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,6,6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.9540	0.000	1	108.9540	0.000	1	108.6687	0.075	3	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:Br-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2Br)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(Br)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2Br)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,1|P<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(Br){1|H<1>,1|O<1>,1|S<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.8285	0.385	2	108.1480	0.186	4	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4675	0.009	2	108.1480	0.186	4	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.3720	0.619	4	108.3720	0.383	4	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.2100	0.157	2	108.2100	0.025	2	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,3x6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,3x6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4840	0.014	2	108.4840	0.000	2	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.7760	0.000	1	108.7760	0.000	1	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.6800	0.021	2	108.6800	0.000	2	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|P<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Br)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|S<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	108.5360	0.000	1	108.5360	0.000	1	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	108.3865	0.178	4	108.1141	0.143	41	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	107.9505	0.168	4	108.1141	0.143	41	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	108.0627	0.394	12	108.1141	0.143	41	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	107.4053	0.080	3	108.1141	0.143	41	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.2895	0.026	2	108.1141	0.143	41	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	108.5605	0.269	4	108.1141	0.143	41	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	108.0955	0.178	10	108.1141	0.143	41	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|H<1>,3|C<3>,3|C<4>}	108.2925	0.665	2	108.1141	0.143	41	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.7643	0.158	3	108.4964	0.047	11	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.3810	0.004	2	108.4964	0.047	11	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.3920	0.123	2	108.4964	0.047	11	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4052	0.189	4	108.4964	0.047	11	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5050	0.392	4	108.5761	0.180	22	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	107.9195	0.416	2	108.5761	0.180	22	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	108.5205	0.467	2	108.5761	0.180	22	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.7588	0.367	10	108.5761	0.180	22	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5468	0.409	4	108.5761	0.180	22	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,1|P<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.3380	0.010	2	108.3380	0.000	2	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,1|S<3>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]C)(C[5]N[5]O)(H){2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4310	0.000	1	108.4310	0.000	1	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,1|S<3>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]S[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.5380	0.000	1	107.5380	0.000	1	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]N[5,6]O[5,5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]N[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4637	0.419	3	108.4637	0.175	3	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|Cl<1>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|Cl<1>,1|O<1>,2|C<3>,2|O<2>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	107.5265	0.435	2	107.6097	0.105	4	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|Cl<1>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|Cl<1>,1|O<1>,2|C<3>,2|O<2>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.6930	0.315	2	107.6097	0.105	4	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5a,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.0590	0.713	2	108.0590	0.508	2	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.7683	0.114	6	107.8045	0.034	12	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	107.8407	0.240	6	107.8045	0.034	12	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|O<1>,6|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.7917	0.179	6	107.9468	0.111	30	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|O<1>,6|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	107.7263	0.208	6	107.9468	0.111	30	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|O<1>,6|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>,2|S<2>}	107.6880	0.112	2	107.9468	0.111	30	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|O<1>,6|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.3225	0.381	6	107.9468	0.111	30	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|O<1>,6|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	107.9984	0.273	10	107.9468	0.111	30	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.2990	0.451	2	108.1693	0.096	4	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	108.0395	0.135	2	108.1693	0.096	4	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.8980	0.000	1	107.8980	0.000	1	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,3|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.0990	0.000	1	108.0990	0.000	1	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5100	0.000	1	108.1375	0.278	2	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.7650	0.000	1	108.1375	0.278	2	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	107.6110	0.089	4	107.6110	0.008	4	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,5,6]P[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|P<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(C[5,5,6]P[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|W<6>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	108.9630	0.544	2	108.9630	0.296	2	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.8400	0.137	2	107.8400	0.019	2	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|S<2>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.9638	0.188	4	107.9192	0.037	5	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,5,6]C[3x5,6]C[5]H)(C[5]N[5]O)(H){2|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.7410	0.000	1	107.9192	0.037	5	108.1578	0.195	166	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]N)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(NCH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]N)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(NCH){2|C<4>,2|H<1>}	107.4815	0.383	2	107.4815	0.146	2	107.4815	0.146	2	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]N[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(N[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]N[5])(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[5](C[5]C[5,5,6]O)2(N[5]C[5]2){2|H<1>,2|O<1>,4|C<4>}	106.9193	0.603	4	106.9193	0.364	4	106.9193	0.364	4	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.8630	0.102	2	107.8630	0.010	2	108.0306	0.061	22	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)2{2|C<4>,3|C<3>,3|H<1>}	108.1005	0.180	2	108.1005	0.033	2	108.0306	0.061	22	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2{2|C<3>,2|C<4>,3|H<1>}	108.3512	0.121	4	108.1462	0.116	6	108.0306	0.061	22	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2{2|C<3>,2|H<1>,3|C<4>}	107.7360	0.178	2	108.1462	0.116	6	108.0306	0.061	22	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|O<1>,6|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)2{2|C<4>,3|C<3>,3|H<1>}	108.1630	0.262	2	108.1630	0.068	2	108.0306	0.061	22	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){2|O<1>,6|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2{2|C<3>,2|H<1>,3|C<4>}	107.9955	0.205	6	107.9955	0.042	6	108.0306	0.061	22	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)2{2|C<4>,3|C<3>,3|H<1>}	108.0550	0.020	2	108.0550	0.000	2	108.0306	0.061	22	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2{2|C<3>,2|H<1>,3|C<4>}	107.7305	0.018	2	107.7305	0.000	2	108.0306	0.061	22	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:P[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]P[5,5,6]H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,6]N[5,5]W)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]P[5,5,6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,1|W<6>,2|C<3>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(P[5,5,6]C[5,6]N[5,5]W)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	107.5700	0.808	2	107.5700	0.652	2	107.5700	0.652	2	108.1117	0.217	206	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CH3)	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]O[5,5]C[6])(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	109.7595	0.920	2	109.7595	0.846	2	109.7595	0.846	2	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:Br-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2Br)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]Br)(C[5]N[5]O)(Br)	N[5](C[5]C[5,5,6]O)2(CH3)	C[5](C[5,5,6]C[5,5,6]2Br)(N[5]C[5]C)(O){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]Br)(C[5]N[5]O)(Br){1|O<1>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5,6]O)2(CH3){2|Br<1>,2|C<4>}	108.9060	0.433	2	108.9060	0.187	2	108.9060	0.187	2	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CC[6a]HH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,3|C<4>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(CC[6a]HH){2|C<4>,2|H<1>}	108.0680	0.200	6	108.0680	0.040	6	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<4>}	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	109.0745	0.353	2	109.0745	0.125	2	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CCCH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(CCCH){2|C<4>,2|H<1>}	108.6723	0.259	4	108.5918	0.059	6	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CCCH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	N[5](C[5]C[5,5,6]O)2(CCCH){2|C<4>,2|H<1>}	108.4310	0.124	2	108.5918	0.059	6	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CCHH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	108.4839	0.359	14	108.4839	0.129	14	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CC[6]HH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|H<1>}	N[5](C[5]C[5,5,6]O)2(CC[6]HH){2|C<4>,2|H<1>}	108.6250	0.018	2	108.6250	0.000	2	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	108.5965	0.337	2	108.5965	0.114	2	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CC[6a]HH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5]C[5,5,6]O)2(CC[6a]HH){2|C<4>,2|H<1>}	108.6340	0.635	2	108.6340	0.403	2	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	108.5330	0.000	1	108.5537	0.044	3	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]C)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	108.5640	0.296	2	108.5537	0.044	3	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CCHH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	108.5863	0.286	14	108.5863	0.082	14	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CC[5a]HH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5,6]O)2(CC[5a]HH){2|C<4>,2|H<1>}	108.5325	0.310	2	108.5325	0.096	2	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	108.5882	0.255	5	108.7180	0.110	7	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	109.0425	0.326	2	108.7180	0.110	7	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]N)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CC[6a]HH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]N)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5,6]O)2(CC[6a]HH){2|C<4>,2|H<1>}	107.9300	0.205	2	107.9300	0.042	2	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CCHH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	108.6905	0.046	2	108.6905	0.002	2	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CCHH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){4|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	107.8345	0.206	6	107.8345	0.043	6	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CC[5a]HH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){4|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,5,6]O)2(CC[5a]HH){2|C<4>,2|H<1>}	108.0175	0.292	2	108.0175	0.085	2	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	108.3522	0.346	4	108.4584	0.120	7	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	108.6000	0.356	3	108.4584	0.120	7	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CC[6a]HH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5,6]O)2(CC[6a]HH){2|C<4>,2|H<1>}	108.3210	0.140	2	108.3210	0.020	2	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	108.4163	0.301	4	108.4163	0.091	4	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CCHH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5,6]O)2(CCHH){2|C<4>,2|H<1>}	108.4070	0.118	4	108.4070	0.014	4	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]Si)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]O)2(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(O){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]Si)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5,6]O)2(CH3){2|C<4>,2|H<1>}	108.0180	0.175	2	108.0180	0.031	2	108.4397	0.140	91	108.4773	0.186	95	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]H)(O){3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,7|H<1>}	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5,6]O)(H){2|C<4>,2|H<1>}	108.8785	0.062	2	108.8785	0.004	2	108.8785	0.004	2	108.8785	0.004	2	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5,5,6]C[6a])(O)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5,5,6]C[6a])(O){3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	107.1940	0.000	1	107.1940	0.000	1	107.0040	0.072	2	108.9667	1.224	15	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5,5,6]C[6a])(O)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5,5,6]C[6a])(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,4|C<4>,5|H<1>}	106.8140	0.000	1	106.8140	0.000	1	107.0040	0.072	2	108.9667	1.224	15	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	107.6580	0.537	2	107.6580	0.289	2	107.6580	0.289	2	108.9667	1.224	15	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[3x6]-4:C[5]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[3x6]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[3x6]C[5])(O){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|H<1>}	N[5](C[3x6]C[6,6]3)(C[5]C[5,5,6]O)2{5|C<4>,8|H<1>}	109.7234	0.280	5	109.7234	0.078	5	109.7234	0.078	5	108.9667	1.224	15	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,5|H<1>}	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	109.3066	0.437	5	109.3066	0.191	5	109.4267	0.239	6	108.9667	1.224	15	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	110.0270	0.000	1	110.0270	0.000	1	109.4267	0.239	6	108.9667	1.224	15	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CC)(C[5]N[5]O)(H)	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|O<2>,2|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CC)(C[5]N[5]O)(H){2|C<4>,5|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	108.6620	0.000	1	108.6620	0.000	1	107.9219	0.265	21	107.9703	0.304	22	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){3|C<4>,4|H<1>}	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	107.8853	0.264	3	107.9400	0.058	4	107.9219	0.265	21	107.9703	0.304	22	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	108.1040	0.000	1	107.9400	0.058	4	107.9219	0.265	21	107.9703	0.304	22	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	108.4355	0.535	2	108.2885	0.125	4	107.9219	0.265	21	107.9703	0.304	22	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	108.1770	0.000	1	108.2885	0.125	4	107.9219	0.265	21	107.9703	0.304	22	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	108.1060	0.000	1	108.2885	0.125	4	107.9219	0.265	21	107.9703	0.304	22	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CCHH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.3970	0.000	1	107.3970	0.000	1	107.9219	0.265	21	107.9703	0.304	22	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CC[6a]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.0270	0.000	1	107.0270	0.000	1	107.9219	0.265	21	107.9703	0.304	22	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	107.6559	0.411	8	107.6559	0.169	8	107.9219	0.265	21	107.9703	0.304	22	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(O){1|O<2>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H){1|Br<1>,2|C<4>,4|H<1>}	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	108.5565	0.197	2	108.5565	0.039	2	107.9219	0.265	21	107.9703	0.304	22	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]S)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O)(SC[6a]OO)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]S)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|S<4>,6|H<1>}	N[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	107.9703	0.304	22	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]H)(O)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5,6]O)(C[5]N[5]O)	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]O)(H)	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5]C[5,6]O)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]O)(H){1|C<3>,1|O<2>,2|C<4>}	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(N[5]C[5]C)(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,5,6]O)(C[5]N[5]S)(CC[6a]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(N[5]C[5]C)(O){1|Cl<1>,1|C<3>,1|S<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(C[5]N[5]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	N[5](C[5]C[5,5,6]O)(C[5]N[5]S)(CC[6a]HH){1|H<1>,2|C<4>}	106.8130	0.000	1	106.8130	0.000	1	106.8130	0.000	1	106.8130	0.000	1	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:3:	3:4:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(O)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]O)(C[5]C[5,6]O)(C[5]N[5]O)	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH)(CH3)	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]O)(C[5]C[5,6]O)(C[5]N[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH)(CH3){1|C<3>,1|C<4>,2|O<2>}	110.2830	0.000	1	110.2830	0.000	1	109.3890	1.598	2	109.3890	1.598	2	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:3:	3:4:4:	C[5,5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(O)	C[5,5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,6a]O)(C[5]N[5]O)	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]HO)(CH3)	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5,6a]O)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]HO)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.4950	0.000	1	108.4950	0.000	1	109.3890	1.598	2	109.3890	1.598	2	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2C)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2C)(N[5]C[5]H)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(H){4|C<4>}	108.8180	0.000	1	108.8180	0.000	1	108.9893	0.193	3	108.9893	0.193	3	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2C)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CHHO)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2C)(N[5]C[5]H)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(H){4|C<4>}	109.4880	0.000	1	109.4880	0.000	1	108.9893	0.193	3	108.9893	0.193	3	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2C)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3)	N[5](C[5]C[5,5,6]O)2(H)	C[5](C[5,5,6]C[5,5,6]2C)(N[5]C[5]H)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|H<1>}	N[5](C[5]C[5,5,6]O)2(H){1|H<1>,3|C<4>}	108.6620	0.000	1	108.6620	0.000	1	108.9893	0.193	3	108.9893	0.193	3	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5,6]	N[5]	4:3:4:	4:4:4:3:	3:2:1:	C[5,5,6]-4:N[5]-3:C-4:	C[5,5,6]-4:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]O[5]O)(CH3)	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C)	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(N[5]O[5]O)(CH3){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[5,5,6](C[5,5,6]C[6,6]O[5]2)(C[5]C[5]HH)(C[6]O[6]HO)(C[5]N[5]C){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])(O){1|O<2>,3|C<4>}	111.0560	0.000	2	111.0560	0.000	2	111.0560	0.000	2	111.0560	0.000	2	108.2530	0.410	393	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,5]	3:4:1:	3:3:4:1:	4:3:3:	N[5,5]-3:C[5,5]-4:O-1:	N[5,5]-3:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]N[5,5]C[5]H)(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]N[5,5]C[5]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){2|C<3>,2|H<1>,4|C<4>}	107.0410	0.000	1	107.0410	0.000	1	107.0410	0.000	1	107.0410	0.000	1	109.0734	2.671	8	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,5]	3:4:1:	4:3:4:3:	4:3:4:	N[5,5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,5]O)(C[5]O[5]CC)	C[5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(O){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5,5]O)(C[5]O[5]CC){1|C<3>,1|C<4>,4|H<1>}	107.7825	1.471	2	107.7825	2.165	2	107.7825	2.165	2	107.7825	2.165	2	109.0734	2.671	8	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,5]	4:3:1:	4:3:4:1:	4:4:3:	C[5,5]-4:N[5,5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(O)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]O)(C[5]N[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(O){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]N[5,5]O)(C[5]N[5]HH)(H){1|H<1>,3|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5,5]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	109.0734	2.671	8	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,5]	4:3:1:	4:4:3:2:	3:3:4:	C[5,5]-4:N[5,5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5]C[5,5]C[5])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5]O)(S[5]C[5,5])	N[5,5](C[5,5]N[5]S[5])(C[5]C[5,5]O)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5]C[5,5]C[5])(O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,5]O)(S[5]C[5,5]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[5,5]O)(C[5]C[5]HH){2|C<4>,2|H<1>}	110.5125	0.111	2	110.5125	0.012	2	110.4857	0.005	4	110.4857	0.005	4	109.0734	2.671	8	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,5]	4:3:1:	4:4:3:2:	3:3:4:	C[5,5]-4:N[5,5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5]C[5,5]C[5])(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(S[5]C[5,5])	N[5,5](C[5,5]N[5]S[5])(C[5]C[5,5]O)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,5]C[5,5]C[5])(O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(S[5]C[5,5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	N[5,5](C[5,5]N[5]S[5])(C[5]C[5,5]O)(C[5]C[5]HH){2|C<4>,2|H<1>}	110.4590	0.000	2	110.4590	0.000	2	110.4857	0.005	4	110.4857	0.005	4	109.0734	2.671	8	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,6]	3:4:1:	3:4:4:3:	3:3:4:	N[5,6]-3:C[5,5]-4:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6,6a]-3:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]C[5]2)(O)	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5,6]O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,5]O)(C[6]C[6]CC)	C[5](N[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]C[5]2)(O){2|C<3>,2|H<1>,7|C<4>}	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5,6]O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,5]O)(C[6]C[6]CC){2|C<4>,2|H<1>,3|C<3>}	108.4510	0.000	1	108.4510	0.000	1	108.4510	0.000	1	108.4510	0.000	1	111.2637	3.584	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,6]	4:3:1:	4:3:2:1:	4:3:4:	C[5,5]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(O)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]O)(O[5]C[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[5]C[5,5]O)(C[6]C[6]HH)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]N[5,6]O)(O[5]C[5])(H){1|C<3>,4|C<4>}	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[5]C[5,5]O)(C[6]C[6]HH){2|C<3>,2|O<2>,4|H<1>}	107.8907	0.593	3	107.8907	0.351	3	107.8907	0.351	3	107.8907	0.351	3	111.2637	3.584	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,6]	4:3:1:	4:3:4:2:	4:3:3:	C[5,5]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:S[5]-2:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5,6]O)(C[5]C[5]CH)(S[5]C[5,6])	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5,6]O)(C[5]C[5]CH)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O){2|C<4>,4|C<3>}	112.0410	0.000	1	112.0410	0.000	1	112.0410	0.000	1	112.0410	0.000	1	111.2637	3.584	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,6]	4:3:1:	4:4:3:2:	3:3:3:	C[5,5]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6]-3:C[5]-3:N[6]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]N[6])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(N[6]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]N[6])(O){1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(N[6]C[5,6]H){1|C<3>,1|N<3>,3|C<4>}	111.5770	0.170	2	111.5454	0.137	5	111.5454	0.137	5	111.5454	0.137	5	111.2637	3.584	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,6]	4:3:1:	4:4:3:2:	3:3:3:	C[5,5]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6]-3:C[5]-3:N[6]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]N[6])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(N[6]C[5,6]H)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]N[6])(O){1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(N[6]C[5,6]H){1|H<1>,1|N<3>,3|C<4>}	111.5243	0.508	3	111.5454	0.137	5	111.5454	0.137	5	111.5454	0.137	5	111.2637	3.584	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,6]	4:3:1:	4:4:3:2:	3:3:4:	C[5,5]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(C[6]C[6]HH)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	111.2637	3.584	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,6]	4:3:1:	4:4:3:2:	4:3:3:	C[5,5]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]2)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	N[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]2)(O){1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	111.5290	0.000	1	111.5290	0.000	1	111.5290	0.000	1	112.7050	0.276	7	111.2637	3.584	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5,6]	4:3:1:	4:4:3:2:	4:3:3:	C[5,5]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6])	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5,6]O)(S[5]C[5,6]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O){3|C<3>,3|C<4>}	112.9010	0.091	6	112.9010	0.008	6	112.9010	0.008	6	112.7050	0.276	7	111.2637	3.584	18	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	3:3:3:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){7|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	104.9653	0.822	3	104.9653	0.675	3	105.0360	0.470	4	105.0360	0.470	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	3:3:3:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,6|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){7|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	105.2480	0.000	1	105.2480	0.000	1	105.0360	0.470	4	105.0360	0.470	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	3:3:3:3:	3:3:3:	N[5]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,7|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){1|C<4>,7|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C){2|H<1>,5|C<3>}	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	3:4:3:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]N[5])(C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,1|N<2>,2|C<2>,4|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	105.1600	0.000	1	105.1600	0.000	1	105.1600	0.000	1	105.1600	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	3:4:4:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]C[5,5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){3|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	105.8830	0.000	1	105.8830	0.000	1	105.8830	0.000	1	105.8830	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:3:3:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]N)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,5|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	106.0015	0.390	2	106.0015	0.152	2	105.8084	0.174	8	105.8084	0.174	8	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:3:3:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)(C[5]N[5]S)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)(C[5]N[5]S){5|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	105.9610	0.000	2	105.9610	0.000	2	105.8084	0.174	8	105.8084	0.174	8	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:3:3:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){2|H<1>,6|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[6a]N[5])(C[5]C[5,6a]C)(C[5]N[5]O){5|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	106.3790	0.000	1	106.3790	0.000	1	105.8084	0.174	8	105.8084	0.174	8	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:3:3:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)(C[5]S[5]N)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|N<2>,1|S<2>,2|C<2>,2|C<3>,2|C<4>}	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(C[5]N[5]O)(C[5]S[5]N){1|H<1>,2|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	105.2130	0.000	1	105.2130	0.000	1	105.8084	0.174	8	105.8084	0.174	8	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:3:3:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|H<1>,2|C<4>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	105.3240	0.000	1	105.4750	0.046	2	105.8084	0.174	8	105.8084	0.174	8	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:3:3:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|H<1>,2|C<4>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	105.6260	0.000	1	105.4750	0.046	2	105.8084	0.174	8	105.8084	0.174	8	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:3:4:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]C[5]CN)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]C[5]CN)(C[5]N[5]O){1|O<1>,2|H<1>,5|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	105.6590	0.511	2	105.6590	0.261	2	105.6590	0.261	2	105.6590	0.261	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:4:3:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,6|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	105.5560	0.000	1	105.5560	0.000	1	105.8544	0.159	7	105.8544	0.159	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:4:3:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){1|H<1>,8|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	105.5700	0.000	1	105.6327	0.024	3	105.8544	0.159	7	105.8544	0.159	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:4:3:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){2|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	105.6640	0.206	2	105.6327	0.024	3	105.8544	0.159	7	105.8544	0.159	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:4:3:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	106.4055	0.206	2	106.4055	0.042	2	105.8544	0.159	7	105.8544	0.159	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:4:3:3:	3:3:2:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	105.7160	0.000	1	105.7160	0.000	1	105.8544	0.159	7	105.8544	0.159	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:4:3:3:	3:3:3:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5]HH)2(C[5]N[5]H)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5,5]C[5]3)(O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]H)(C[5]N[5]O){1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	108.2355	0.388	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:4:3:3:	3:3:3:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[5]HH)(C[5]N[5]CH)(C[5]C[5]O)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5]C[5]HH)(C[5]N[5]CH)(C[5]C[5]O)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	108.2355	0.388	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	3:4:1:	4:4:4:3:	3:3:3:	N[5]-3:C[5,5]-4:O-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5,5]C[5]3)(O){1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:2:2:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5])(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]H)(O){1|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	107.6520	0.000	1	107.6520	0.000	1	107.6520	0.000	1	107.3520	0.071	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:2:2:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]O[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])2{2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|O<2>}	107.2520	0.216	3	107.2520	0.047	3	107.2520	0.047	3	107.3520	0.071	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:2:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:S[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O){1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]N[5]O){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	107.2090	0.115	2	107.2090	0.013	2	107.2090	0.013	2	107.2090	0.013	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:2:3:	3:3:2:	C[5,5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:N[5]-2:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O){1|C<4>,5|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5,6]C)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	105.6643	0.755	3	105.6643	0.569	3	105.6643	0.569	3	105.6643	0.569	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:2:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	107.7040	0.066	2	107.7040	0.004	2	107.5793	0.049	3	107.5793	0.049	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:2:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(O[5]C[5,6a])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(O[5]C[5,6a])(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	107.3300	0.000	1	107.3300	0.000	1	107.5793	0.049	3	107.5793	0.049	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:2:4:	4:3:3:	C[5,5]-4:N[5]-3:O-1:	N[5,5]-3:C[5]-3:N[5]-2:C-4:	C-4:C[5]-3:C[5]-3:	C[5](C[5,5]N[5,5]N[5]C)(N[5]C[5]C)(O)	C[5,5](N[5,5]C[5]N[5])(C[5]N[5]O)(N[5]C[5])(CCCH)	N[5](CC[6,6]C[6a]H)(C[5]C[5,5]O)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]N[5]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5,5](N[5,5]C[5]N[5])(C[5]N[5]O)(N[5]C[5])(CCCH){1|C<4>,1|O<1>,2|C<3>}	N[5](CC[6,6]C[6a]H)(C[5]C[5,5]O)(C[5]N[5,5]O){1|C<4>,1|N<2>,1|N<3>}	106.6290	0.000	1	106.6290	0.000	1	106.6290	0.000	1	106.6290	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:2:1:	C[5,5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:N[5]-2:H-1:	C[5](C[5,5]C[5]2O[5])(N[5]N[5]H)(O)	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	N[5](C[5]C[5,5]O)(N[5]C[5])(H)	C[5](C[5,5]C[5]2O[5])(N[5]N[5]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[5,5](C[5]C[5]H)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){4|H<1>}	N[5](C[5]C[5,5]O)(N[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>}	105.2490	0.000	1	105.2490	0.000	1	105.2490	0.000	1	105.2490	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|O<2>,3|C<3>}	107.3970	0.071	2	107.3970	0.005	2	107.3970	0.005	2	107.1537	0.180	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-3:S[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(C[5]N[5]O)(S[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]H)(O){1|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(C[5]N[5]O)(S[5]C[5]){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	106.6670	0.000	1	106.6670	0.000	1	106.6670	0.000	1	107.1537	0.180	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:2:	C[5,5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O){1|H<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|S<2>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	105.3690	0.000	1	105.3690	0.000	1	105.3690	0.000	1	104.9130	0.416	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:2:	C[5,5]-4:N[5]-3:O-1:	N[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,5]C[5]N[5]O[5])(N[5]C[6a]N[5])(O)	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]N[5]O[5])(N[5]C[6a]N[5])(O){3|C<3>,3|C<4>}	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	104.4570	0.000	1	104.4570	0.000	1	104.4570	0.000	1	104.9130	0.416	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O){1|N<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	108.4090	0.000	1	108.4090	0.000	1	107.5747	0.372	11	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	107.9530	0.000	1	107.8490	0.022	2	107.5747	0.372	11	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	107.7450	0.000	1	107.8490	0.022	2	107.5747	0.372	11	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	108.8120	0.000	1	108.8120	0.000	1	107.5747	0.372	11	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	106.9320	0.000	1	106.9320	0.000	1	107.5747	0.372	11	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	106.9670	0.000	1	107.0735	0.023	2	107.5747	0.372	11	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	107.1800	0.000	1	107.0735	0.023	2	107.5747	0.372	11	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	107.4710	0.000	1	107.4710	0.000	1	107.5747	0.372	11	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	107.4600	0.000	1	107.4600	0.000	1	107.5747	0.372	11	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	107.3910	0.000	1	107.3910	0.000	1	107.5747	0.372	11	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]O[5]C)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]O[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	107.0020	0.000	1	107.0020	0.000	1	107.5747	0.372	11	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]N[5]C)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O){1|N<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]N[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	106.7140	0.000	1	106.7140	0.000	1	106.7140	0.000	1	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N[5]-3:S[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)(S[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)(S[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.8180	0.000	1	107.8180	0.000	1	107.5895	0.104	2	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.3610	0.000	1	107.3610	0.000	1	107.5895	0.104	2	107.4636	0.322	16	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:2:	3:4:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5]C[5]2O[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5]C[5]C)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){2|C<4>,5|H<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>}	108.3320	0.000	1	108.3320	0.000	1	108.3320	0.000	1	108.3320	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,3|C<3>}	107.5930	0.542	2	107.5930	0.293	2	107.5930	0.293	2	107.9225	0.277	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(O){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,4|C<3>}	108.2247	0.222	3	108.2247	0.049	3	108.2247	0.049	3	107.9225	0.277	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C){4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,3|C<3>}	107.7930	0.000	1	107.7930	0.000	1	107.7930	0.000	1	107.9225	0.277	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|N<3>,3|C<3>}	108.0210	0.000	1	108.2073	0.200	3	108.2073	0.200	3	107.9225	0.277	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,3|C<3>}	108.7180	0.000	1	108.2073	0.200	3	108.2073	0.200	3	107.9225	0.277	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,3|C<3>}	107.8830	0.000	1	108.2073	0.200	3	108.2073	0.200	3	107.9225	0.277	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,5]-4:N[5]-3:S-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(S)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S)(H)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]H)(S){6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S){3|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S)(H){1|H<1>,4|C<3>}	106.9500	0.000	1	106.9500	0.000	1	106.9500	0.000	1	107.9225	0.277	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5a]C[5,6a]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,5a]C[5,6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,4|C<3>}	107.6150	0.221	2	107.6150	0.049	2	107.6150	0.049	2	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,4|C<3>}	108.4800	0.000	1	108.4800	0.000	1	108.4800	0.000	1	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,4|C<3>}	108.1120	0.000	1	108.1120	0.000	1	109.0275	1.676	2	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)2{2|C<4>,2|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|Cl<1>,4|C<3>}	109.9430	0.000	1	109.9430	0.000	1	109.0275	1.676	2	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6]-4:	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C[6])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]O)(C[6]C[6]2H)	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C[6])(O){1|H<1>,2|N<2>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]O)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]2N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]2N[5,5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O){3|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,4|C<3>}	107.9220	0.000	1	107.9220	0.000	1	107.3210	0.722	2	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,2|N<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,4|C<3>}	106.7200	0.000	1	106.7200	0.000	1	107.3210	0.722	2	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	108.0000	0.000	1	108.0000	0.000	1	107.7272	0.125	5	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	107.7767	0.347	3	107.7767	0.120	3	107.7272	0.125	5	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	107.3060	0.000	1	107.3060	0.000	1	107.7272	0.125	5	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	108.0010	0.000	1	108.0010	0.000	1	107.6220	0.287	2	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|O<1>,1|S<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	107.2430	0.000	1	107.2430	0.000	1	107.6220	0.287	2	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N[5]-3:S[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)(S[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]N[5]S[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)(S[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	106.9850	0.000	1	106.9850	0.000	1	106.9850	0.000	1	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	107.8790	0.000	1	108.0085	0.034	2	108.0085	0.034	2	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	108.1380	0.000	1	108.0085	0.034	2	108.0085	0.034	2	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]N[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5])(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	107.4020	0.000	1	107.4020	0.000	1	107.4020	0.000	1	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	107.0330	0.000	1	107.0330	0.000	1	107.6365	0.728	2	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	108.2400	0.000	1	108.2400	0.000	1	107.6365	0.728	2	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	108.3030	0.000	1	108.3030	0.000	1	108.3743	0.139	4	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	107.8770	0.000	1	107.8770	0.000	1	108.3743	0.139	4	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]N[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	108.6585	0.050	2	108.6585	0.003	2	108.3743	0.139	4	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:S-1:	N[5]-3:N[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]N[5]3)(N[5]C[5]C)(S)	C[5,5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(C[5]N[5]S)(N[5]C[5]C)	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH)	C[5](C[5,5]N[5]3)(N[5]C[5]C)(S){1|N<2>,1|S<1>,2|C<3>,2|C<4>}	C[5,5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(C[5]N[5]S)(N[5]C[5]C){1|C<4>,1|S<1>,2|C<3>}	N[5](C[5]C[5,5]S)(C[5]N[5]S)(CCCH){1|C<4>,2|N<3>}	106.5890	0.000	1	106.5890	0.000	1	106.5890	0.000	1	107.8632	0.462	28	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5,6a]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,6a]C[5,5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5,6a]C[5,6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	106.4435	0.165	2	106.4435	0.027	2	106.4435	0.027	2	106.4435	0.027	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4700	0.000	2	107.4700	0.000	2	107.9393	0.277	8	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,8|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.5300	0.000	1	108.0957	0.271	6	107.9393	0.277	8	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|O<1>,2|S<2>,4|C<3>,8|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0530	0.000	1	108.0957	0.271	6	107.9393	0.277	8	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,8|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1560	0.642	3	108.0957	0.271	6	107.9393	0.277	8	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){2|C<4>,2|O<1>,5|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.5230	0.000	1	108.0957	0.271	6	107.9393	0.277	8	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|C<3>,8|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.2540	0.000	1	108.3356	0.076	7	108.3356	0.076	7	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,8|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.6645	0.062	2	108.3356	0.076	7	108.3356	0.076	7	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,4|C<3>,8|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.3060	0.000	1	108.3356	0.076	7	108.3356	0.076	7	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|S<2>,2|C<4>,4|C<3>,8|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0195	0.155	2	108.3356	0.076	7	108.3356	0.076	7	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.4210	0.000	1	108.3356	0.076	7	108.3356	0.076	7	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0540	0.000	1	108.0540	0.000	1	108.1334	0.100	22	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8045	0.042	2	107.8045	0.002	2	108.1334	0.100	22	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.4455	0.139	2	108.4455	0.019	2	108.1334	0.100	22	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1707	0.242	7	108.1707	0.058	7	108.1334	0.100	22	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CN)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CN)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.7120	0.133	2	108.7120	0.018	2	108.1334	0.100	22	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.9380	0.180	2	107.9380	0.032	2	108.1334	0.100	22	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8210	0.000	1	107.8210	0.000	1	108.1334	0.100	22	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.9680	0.000	1	108.0128	0.085	5	108.1334	0.100	22	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0240	0.336	4	108.0128	0.085	5	108.1334	0.100	22	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5,6])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]3)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,6])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>,8|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.2590	0.000	1	108.2590	0.000	1	107.5950	0.357	3	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.2630	0.228	2	107.2630	0.052	2	107.5950	0.357	3	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5,5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5,5]HH)(C[5]N[5]O){3|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.9190	0.000	1	107.9190	0.000	1	107.5800	0.082	6	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O){5|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.5122	0.260	5	107.5122	0.067	5	107.5800	0.082	6	108.0365	0.190	47	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	108.0680	0.030	2	108.0680	0.001	2	107.5795	0.354	4	107.2511	0.327	8	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	107.0910	0.325	2	107.0910	0.106	2	107.5795	0.354	4	107.2511	0.327	8	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.0990	0.000	1	107.0990	0.000	1	107.0990	0.000	1	107.2511	0.327	8	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:S-1:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(S)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CC)(C[5]N[5]S)	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(S){1|O<1>,4|C<3>,4|C<4>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CC)(C[5]N[5]S){1|O<1>,3|C<3>}	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	106.5310	0.000	1	106.5310	0.000	1	106.8640	0.161	3	107.2511	0.327	8	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:S-1:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(S)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]S)	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(S){1|H<1>,1|N<2>,7|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]S){7|C<3>}	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|H<1>}	107.0305	0.395	2	107.0305	0.156	2	106.8640	0.161	3	107.2511	0.327	8	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.0280	0.000	1	108.0630	0.002	2	108.0417	0.003	3	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.0980	0.000	1	108.0630	0.002	2	108.0417	0.003	3	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.9990	0.000	1	107.9990	0.000	1	108.0417	0.003	3	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.6260	0.364	4	107.6260	0.132	4	107.6982	0.125	5	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.9870	0.000	1	107.9870	0.000	1	107.6982	0.125	5	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|O<2>,3|C<4>,4|C<3>,7|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.5735	0.616	2	108.5735	0.379	2	108.3540	0.113	6	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<3>,4|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.3390	0.000	1	108.3390	0.000	1	108.3540	0.113	6	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1455	0.028	2	108.1455	0.001	2	108.3540	0.113	6	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.3470	0.000	1	108.3470	0.000	1	108.3540	0.113	6	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8220	0.000	1	107.8220	0.000	1	107.7335	0.016	2	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]C)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]N[5]O){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.6450	0.000	1	107.6450	0.000	1	107.7335	0.016	2	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0260	0.000	1	108.0260	0.000	1	107.7553	0.115	3	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]O[5]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]O[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8650	0.000	1	107.8650	0.000	1	107.7553	0.115	3	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.3750	0.000	1	107.3750	0.000	1	107.7553	0.115	3	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	107.8550	0.000	1	107.8550	0.000	1	107.6215	0.109	2	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,2|H<1>}	107.3880	0.000	1	107.3880	0.000	1	107.6215	0.109	2	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(O)	C[5,5](C[6a]C[6a,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CCHH)	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,5](C[6a]C[6a,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CCHH){1|C<3>,2|C<4>}	106.9160	0.000	1	106.9160	0.000	1	107.1165	0.080	2	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(O)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3)	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3){1|C<3>,2|C<4>}	107.3170	0.000	1	107.3170	0.000	1	107.1165	0.080	2	107.8856	0.192	25	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:2:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]CC)(O[5]C[5,5a])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]CC)(O[5]C[5,5a])(C[5]N[5]O){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6630	0.000	1	107.6630	0.000	1	107.7975	0.036	2	107.7975	0.036	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:2:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.9320	0.000	1	107.9320	0.000	1	107.7975	0.036	2	107.7975	0.036	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:2:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O[5]C[5,5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(O[5]C[5,5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.8470	0.000	1	107.8470	0.000	1	107.5874	0.102	13	107.5874	0.102	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:2:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(O[5]C[5,6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.2290	0.000	1	107.2290	0.000	1	107.5874	0.102	13	107.5874	0.102	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:2:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]C[5,6])(C[5]N[5]O){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6040	0.000	1	107.6040	0.000	1	107.5874	0.102	13	107.5874	0.102	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:2:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]N[5,6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(O[5]N[5,6])(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.0640	0.000	1	107.0640	0.000	1	107.5874	0.102	13	107.5874	0.102	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:2:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6790	0.188	2	107.6790	0.035	2	107.5874	0.102	13	107.5874	0.102	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:2:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.4410	0.000	1	107.4410	0.000	1	107.5874	0.102	13	107.5874	0.102	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:2:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(O[5]C[5,6])(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.2710	0.000	1	107.2710	0.000	1	107.5874	0.102	13	107.5874	0.102	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:2:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6715	0.287	4	107.6715	0.082	4	107.5874	0.102	13	107.5874	0.102	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:2:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(O[5]C[5,5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(O[5]C[5,5])(C[5]N[5]O){2|H<1>,3|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.1360	0.000	1	108.1360	0.000	1	107.5874	0.102	13	107.5874	0.102	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(H)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]H)(O){1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)2(H){2|C<3>,2|H<1>}	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	106.1490	0.000	1	106.1490	0.000	1	106.1490	0.000	1	107.4782	0.763	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.8860	0.000	1	107.8860	0.000	1	107.7575	0.033	2	107.4782	0.763	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.6290	0.000	1	107.6290	0.000	1	107.7575	0.033	2	107.4782	0.763	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	N[5,5]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[6a]C[5])(O)	C[5,5](N[5,5]N[5,5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](N[5,5]N[5,5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){2|C<3>,2|O<1>,3|C<4>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	107.2320	0.000	1	107.2320	0.000	1	107.2320	0.000	1	107.4782	0.763	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	N[5,6]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5,6]H)(N[5]C[6a]C[5])(O)	C[5,5](N[5,6]N[5,5,6]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]N[5,6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](N[5,6]N[5,5,6]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	107.4782	0.763	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)2(CCHH){1|C<3>,1|C<4>,2|H<1>}	108.0810	0.000	1	108.0810	0.000	1	108.0810	0.000	1	107.6472	0.913	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(CC[6a]HH)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|S<1>,1|S<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]N[5]O)(H){1|H<1>,1|S<1>,2|C<4>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(CC[6a]HH){1|H<1>,2|C<4>}	105.9840	0.000	1	105.9840	0.000	1	105.9840	0.000	1	107.6472	0.913	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	N[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]C)(O)	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CC[6a]CH)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)2(CC[6a]CH){1|C<3>,1|N<3>,2|H<1>}	107.9770	0.392	2	107.9770	0.153	2	108.0570	0.096	3	107.6472	0.913	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	N[5]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]C)(O)	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|N<3>,2|H<1>}	108.2170	0.000	1	108.2170	0.000	1	108.0570	0.096	3	107.6472	0.913	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:1:	4:3:3:	C[5,5]-4:N[5]-3:O-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]N[5,5]CC)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(O){2|C<3>,2|H<1>,4|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]N[5,5]CC)(C[5]C[5,5]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:1:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5,6]C)(O)	C[5,5](N[5,5]C[5,6]O[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5,6]C)(O){1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5,6]O[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,4|C<4>}	N[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]O)(CH3){1|O<2>,4|C<4>,4|H<1>}	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	106.7680	0.000	1	106.7680	0.000	1	107.0708	0.081	6	106.9209	0.225	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.2880	0.000	1	107.2880	0.000	1	107.0708	0.081	6	106.9209	0.225	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]H)(O){1|C<4>,1|O<2>,2|C<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]N[5]O)(O[5]C[5]){3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.0923	0.297	4	107.0923	0.088	4	107.0708	0.081	6	106.9209	0.225	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	N[5](C[5]C[5,5]O)(C[5]O[5]O)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5]O)(C[5]O[5]O)(H){1|C<3>,1|C<4>}	106.0210	0.000	1	106.0210	0.000	1	106.0210	0.000	1	106.9209	0.225	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:2:	C[5,5]-4:N[5]-3:O-1:	C[5]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]){1|S<2>,5|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	104.9170	0.000	1	104.9170	0.000	1	104.9170	0.000	1	104.9170	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[6a]C[5])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[6a]C[5])(O){1|H<1>,1|S<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,4|C<3>}	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(C[6a]C[6a]2){1|O<2>,1|S<2>,3|C<3>,3|H<1>}	108.0230	0.000	1	108.0230	0.000	1	108.0230	0.000	1	107.5212	0.265	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	107.5212	0.265	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	107.5212	0.265	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	106.6690	0.000	1	106.6690	0.000	1	107.0725	0.326	2	107.5212	0.265	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.4760	0.000	1	107.4760	0.000	1	107.0725	0.326	2	107.5212	0.265	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]N[5]O)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]N[5]O)(N[5]C[5]){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	107.3930	0.000	1	107.3930	0.000	1	107.6418	0.036	4	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	107.7247	0.114	3	107.7247	0.013	3	107.6418	0.036	4	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|H<1>,1|S<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	108.3240	0.008	2	108.3240	0.000	2	108.4102	0.023	4	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|H<1>,1|S<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	108.3560	0.000	1	108.4965	0.039	2	108.4102	0.023	4	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|H<1>,1|S<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	108.6370	0.000	1	108.4965	0.039	2	108.4102	0.023	4	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]2)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(C[5]C[5]2H)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]2)(O){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(C[5]C[5]2H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,5|H<1>}	109.3420	0.000	1	109.3420	0.000	1	109.3420	0.000	1	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.8140	0.000	1	107.5590	0.084	5	107.6865	0.111	12	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.4952	0.290	4	107.5590	0.084	5	107.6865	0.111	12	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6810	0.399	4	107.7776	0.124	7	107.6865	0.111	12	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.0390	0.000	1	107.7776	0.124	7	107.6865	0.111	12	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.5660	0.000	1	107.7776	0.124	7	107.6865	0.111	12	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	108.1140	0.000	1	107.7776	0.124	7	107.6865	0.111	12	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.0800	0.000	1	108.0800	0.000	1	108.0800	0.000	1	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	107.9010	0.000	2	107.9010	0.000	2	107.8585	0.178	11	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	107.2375	0.723	2	107.2375	0.523	2	107.8585	0.178	11	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	108.0467	0.283	3	108.0212	0.056	4	107.8585	0.178	11	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	107.9450	0.000	1	108.0212	0.056	4	107.8585	0.178	11	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	108.2890	0.000	1	108.2890	0.000	1	107.8585	0.178	11	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	107.9910	0.000	1	107.9910	0.000	1	107.8585	0.178	11	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|S<1>,1|S<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	107.8020	0.000	1	107.8020	0.000	1	107.8585	0.178	11	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5])	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<2>,2|H<1>}	108.8950	0.000	1	108.8950	0.000	1	108.8950	0.000	1	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.1810	0.000	1	108.1810	0.000	1	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.2530	0.502	2	108.1373	0.166	3	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.9060	0.000	1	108.1373	0.166	3	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.3010	0.000	1	107.7200	0.351	2	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(O[5]C[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.1390	0.000	1	107.7200	0.351	2	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	106.7340	0.000	1	106.7340	0.000	1	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.6840	0.000	1	107.8912	0.828	4	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6270	0.907	3	107.8912	0.828	4	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.1840	0.000	1	108.1840	0.000	1	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.5195	0.312	2	107.5195	0.097	2	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.6290	0.000	1	108.6290	0.000	1	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6290	0.000	1	107.6676	0.005	5	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.7143	0.029	3	107.6676	0.005	5	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.5660	0.000	1	107.6676	0.005	5	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.3367	0.487	3	107.3712	0.174	6	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	106.9930	0.000	1	107.3712	0.174	6	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.8680	0.000	1	107.3712	0.174	6	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.3560	0.000	1	107.3712	0.174	6	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.1460	0.127	2	107.1460	0.016	2	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.1630	0.000	1	108.1630	0.000	1	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.7400	0.000	1	107.7400	0.000	1	107.6981	0.300	30	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5])	N[5](C[5]C[5,5]O)(C[5]O[5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]O)(C[5]O[5]O)(CCHH){1|C<3>,1|C<4>}	106.1260	0.000	1	106.1260	0.000	1	106.1260	0.000	1	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]N[5]O[5])(N[5]C[5]C)(O)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(O[5]N[5])	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)	C[5](C[5,5]C[5]N[5]O[5])(N[5]C[5]C)(O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(O[5]N[5]){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	106.6350	0.000	1	106.6350	0.000	1	106.6350	0.000	1	107.7714	0.334	66	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:2:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]O)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	109.3110	0.000	1	109.3110	0.000	1	109.3110	0.000	1	109.3110	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[3,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<2>,1|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|C<2>,2|H<1>,2|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,3|C<3>}	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){1|N<2>,1|N<3>,5|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1420	0.000	1	108.0910	0.005	2	107.7372	0.179	41	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){5|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0400	0.000	1	108.0910	0.005	2	107.7372	0.179	41	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<2>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.6740	0.000	1	107.7255	0.178	11	107.7372	0.179	41	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	108.4175	0.368	2	107.7255	0.178	11	107.7372	0.179	41	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.5590	0.257	8	107.7255	0.178	11	107.7372	0.179	41	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.7102	0.342	18	107.7285	0.192	24	107.7372	0.179	41	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|N<3>,2|C<3>,2|C<4>}	108.5585	0.515	2	107.7285	0.192	24	107.7372	0.179	41	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.3957	0.331	4	107.7285	0.192	24	107.7372	0.179	41	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1670	0.000	1	107.6445	0.227	4	107.7372	0.179	41	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){2|O<1>,5|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4703	0.399	3	107.6445	0.227	4	107.7372	0.179	41	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:N[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5,6])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5,6])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.6420	0.000	1	107.6420	0.000	1	107.6420	0.000	1	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.0530	0.000	1	107.0530	0.000	1	107.0530	0.000	1	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1107	0.583	3	108.3619	0.201	25	108.3357	0.178	29	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.2295	0.516	6	108.3619	0.201	25	108.3357	0.178	29	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.5071	0.372	11	108.3619	0.201	25	108.3357	0.178	29	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,1|O<2>,4|C<3>,7|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.3522	0.477	5	108.3619	0.201	25	108.3357	0.178	29	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.2560	0.057	2	108.2560	0.003	2	108.3357	0.178	29	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){6|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0870	0.045	2	108.0870	0.002	2	108.3357	0.178	29	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2{1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,3|C<3>}	107.5010	0.000	1	107.5010	0.000	1	107.4819	0.270	7	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<2>,1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[5]C[5]C)(C[5]N[5]O){2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,1|C<4>,3|C<3>}	107.8285	0.967	2	107.8285	0.934	2	107.4819	0.270	7	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,3|C<3>}	107.3037	0.325	4	107.3037	0.105	4	107.4819	0.270	7	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.3000	0.000	1	108.3000	0.000	1	107.8364	0.226	35	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|C<2>,2|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.6570	0.000	1	107.7870	0.155	13	107.8364	0.226	35	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|C<2>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4105	0.312	2	107.7870	0.155	13	107.8364	0.226	35	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8147	0.203	3	107.7870	0.155	13	107.8364	0.226	35	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.9013	0.463	7	107.7870	0.155	13	107.8364	0.226	35	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.7620	0.000	1	108.1477	0.240	9	107.8364	0.226	35	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|S<4>,2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.3690	0.000	1	108.1477	0.240	9	107.8364	0.226	35	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1711	0.395	7	108.1477	0.240	9	107.8364	0.226	35	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.9755	0.472	2	108.0447	0.126	3	107.8364	0.226	35	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1830	0.000	1	108.0447	0.126	3	107.8364	0.226	35	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|N<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H){1|P<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4000	0.000	1	107.4000	0.000	1	107.8364	0.226	35	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4120	0.286	4	107.4120	0.082	4	107.8364	0.226	35	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0295	0.080	2	108.0295	0.006	2	107.8364	0.226	35	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|N<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]N[5]H){1|P<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.0865	0.214	2	107.0865	0.046	2	107.8364	0.226	35	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	106.8235	0.156	2	106.8235	0.024	2	106.8235	0.024	2	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:N[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O){2|C<4>,5|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4640	0.000	1	107.4640	0.000	1	107.4640	0.000	1	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,1|S<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(C[5]N[5]O){1|O<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.7430	0.000	1	107.7430	0.000	1	107.7430	0.000	1	107.8609	0.278	123	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[3,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[3,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O){1|S<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	107.0430	0.000	1	107.0430	0.000	1	107.0430	0.000	1	107.6943	0.872	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	108.6430	0.000	1	108.6430	0.000	1	108.1650	0.457	2	107.6943	0.872	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	107.6870	0.000	1	107.6870	0.000	1	108.1650	0.457	2	107.6943	0.872	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	105.4380	0.000	1	105.4380	0.000	1	105.4380	0.000	1	107.6943	0.872	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S){1|Br<1>,1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	107.8490	0.000	1	107.8490	0.000	1	108.0877	0.385	14	107.6943	0.872	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	107.9010	0.000	1	107.9010	0.000	1	108.0877	0.385	14	107.6943	0.872	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	107.4940	0.000	1	107.4940	0.000	1	108.0877	0.385	14	107.6943	0.872	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	107.4940	0.438	2	107.4940	0.192	2	108.0877	0.385	14	107.6943	0.872	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CNO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)(C[5]N[5]O){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CNO){1|C<4>,1|H<1>,3|C<3>}	108.6057	0.194	6	108.6057	0.038	6	108.0877	0.385	14	107.6943	0.872	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	108.8200	0.000	1	108.8200	0.000	1	108.0877	0.385	14	107.6943	0.872	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O){4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	107.2710	0.025	2	107.2710	0.001	2	108.0877	0.385	14	107.6943	0.872	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S){1|O<2>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	107.2320	0.000	1	107.2320	0.000	1	107.2320	0.000	1	107.6943	0.872	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O){1|H<1>,8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.3540	0.000	1	107.3540	0.000	1	106.6677	0.669	3	107.6943	0.872	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O){1|H<1>,8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	106.3245	0.794	2	106.3245	0.631	2	106.6677	0.669	3	107.6943	0.872	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.2905	0.120	2	108.2905	0.014	2	108.0463	0.136	6	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.8010	0.000	1	107.8010	0.000	1	108.0463	0.136	6	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.5430	0.000	1	107.7025	0.051	2	108.0463	0.136	6	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|O<2>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]C)(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.8620	0.000	1	107.7025	0.051	2	108.0463	0.136	6	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.4910	0.000	1	108.4910	0.000	1	108.0463	0.136	6	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<2>,4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.5320	0.000	1	107.5320	0.000	1	107.7193	0.434	15	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	106.6740	0.000	1	106.6740	0.000	1	107.7193	0.434	15	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	106.4070	0.000	1	106.7705	0.264	2	107.7193	0.434	15	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.1340	0.000	1	106.7705	0.264	2	107.7193	0.434	15	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8270	0.000	1	107.8270	0.000	1	107.7193	0.434	15	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.3860	0.036	3	108.3860	0.001	3	107.7193	0.434	15	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.3010	0.000	1	107.8675	0.376	2	107.7193	0.434	15	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4340	0.000	1	107.8675	0.376	2	107.7193	0.434	15	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.3640	0.000	1	107.3640	0.000	1	107.7193	0.434	15	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[5a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|O<1>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4260	0.000	1	107.4260	0.000	1	107.7193	0.434	15	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.6070	0.000	1	108.6070	0.000	1	107.7193	0.434	15	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.9625	0.030	2	107.9625	0.001	2	107.7193	0.434	15	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1515	0.124	2	108.1515	0.015	2	108.1934	0.073	5	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<2>,3|C<4>,5|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.9030	0.000	1	107.9030	0.000	1	108.1934	0.073	5	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,5|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.6250	0.000	1	108.6250	0.000	1	108.1934	0.073	5	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]N[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5,5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1360	0.000	1	108.1360	0.000	1	108.1934	0.073	5	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.8990	0.000	1	108.8990	0.000	1	108.8990	0.000	1	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.6510	0.000	1	108.6510	0.000	1	108.5687	0.018	3	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.6420	0.000	1	108.6420	0.000	1	108.5687	0.018	3	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.4130	0.000	1	108.4130	0.000	1	108.5687	0.018	3	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.3480	0.000	1	107.3480	0.000	1	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.1060	0.588	2	108.1060	0.346	2	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.5320	0.000	1	107.7990	0.143	2	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.0660	0.000	1	107.7990	0.143	2	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.0880	0.000	1	108.0880	0.000	1	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.8400	0.000	1	107.8400	0.000	1	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.3730	0.000	1	108.3730	0.000	1	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.0040	0.000	1	108.0040	0.000	1	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(C[5]N[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(C[5]N[5]S){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.5290	0.000	1	107.5290	0.000	1	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]I)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]I)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.7050	0.000	1	107.7050	0.000	1	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.5705	0.101	2	107.5705	0.010	2	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	108.0980	0.587	2	108.0980	0.344	2	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	107.9450	0.083	2	107.9450	0.007	2	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2{1|C<4>,1|S<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.2150	0.000	1	108.2150	0.000	1	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.5905	0.674	2	108.5905	0.454	2	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(C[5]N[5]O)2{1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.8655	0.052	2	107.8655	0.003	2	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.5480	0.000	1	106.9690	0.670	2	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	106.3900	0.000	1	106.9690	0.670	2	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Br<1>,1|C<4>,3|C<3>}	108.2950	0.000	1	108.2950	0.000	1	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(C[5]C[5]C)(C[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.1540	0.000	1	108.1540	0.000	1	107.9015	0.246	26	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	108.1880	0.317	2	108.1880	0.100	2	108.1880	0.100	2	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.9280	0.000	1	107.9280	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.3340	0.000	1	108.3340	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H){1|H<1>,1|O<2>,1|S<1>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.9890	0.000	1	107.9890	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,1|S<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.2770	0.000	1	108.2770	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.5340	0.000	1	108.5340	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.5220	0.000	1	108.3100	0.090	2	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0980	0.000	1	108.3100	0.090	2	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<2>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0800	0.000	1	108.0800	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.5390	0.832	2	107.5390	0.691	2	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.2810	0.000	1	107.2810	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8390	0.000	1	107.8390	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.4340	0.000	1	108.2213	0.059	3	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1150	0.222	2	108.2213	0.059	3	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1920	0.000	1	108.1920	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.4860	0.000	1	108.4860	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.5215	0.097	2	107.5215	0.009	2	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|S<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]S){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.3270	0.000	1	107.3270	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.2370	0.000	1	108.2370	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]S){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.5740	0.000	1	107.5740	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,1|S<2>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.7200	0.000	1	107.7200	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.3520	0.000	1	108.3520	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4740	0.672	2	107.4740	0.451	2	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.0960	0.000	1	107.0960	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0800	0.000	1	108.0907	0.133	3	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0960	0.515	2	108.0907	0.133	3	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.7260	0.000	1	107.6003	1.137	3	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.0375	0.610	2	107.6003	1.137	3	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<2>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	106.3980	0.000	1	106.3980	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.5890	0.000	1	107.5890	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,1|S<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4980	0.000	1	107.4980	0.000	1	107.8377	0.321	36	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	108.4440	0.000	1	108.4440	0.000	1	107.1064	0.774	5	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	106.5360	0.309	3	106.5360	0.096	3	107.1064	0.774	5	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]N)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]N){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,2|H<1>}	107.4800	0.000	1	107.4800	0.000	1	107.1064	0.774	5	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|S<2>,3|C<4>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.3240	0.000	1	108.3240	0.000	1	108.8350	0.522	2	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|S<2>,3|C<4>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.3460	0.000	1	109.3460	0.000	1	108.8350	0.522	2	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5,6a]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.4970	0.000	1	108.4970	0.000	1	107.9762	0.255	5	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[5,5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[5,5]H)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.3040	0.000	1	108.3040	0.000	1	107.9762	0.255	5	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.9860	0.000	1	107.9860	0.000	1	107.9762	0.255	5	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.9160	0.000	1	107.9160	0.000	1	107.9762	0.255	5	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|S<4>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.1780	0.000	1	107.1780	0.000	1	107.9762	0.255	5	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	N[5,5]-3:C[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(O)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3)	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3){1|C<3>,2|C<4>}	105.9850	0.000	1	105.9850	0.000	1	105.9850	0.000	1	107.8755	0.391	107	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:4:1:	C[5,5]-4:N[5]-3:S-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(C[5]N[5]S)	N[5](C[5]C[5,5]S)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(S){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(C[5]N[5]S){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5]S)(C[5]C[5]CH)(H){1|H<1>,3|C<3>}	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:4:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)2{1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>}	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	107.5735	1.314	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:4:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:S-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)2{1|C<4>,1|S<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	106.7630	0.000	1	106.7630	0.000	1	106.7630	0.000	1	107.5735	1.314	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	4:3:1:	C[5,5]-4:N[5]-3:S-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(C[5]N[5]S){1|Br<1>,1|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	108.1530	0.000	1	108.1530	0.000	1	108.6460	0.486	2	108.6460	0.486	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	4:3:1:	C[5,5]-4:N[5]-3:S-1:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]H)(S){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(C[5]N[5]S){1|O<2>,2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	109.1390	0.000	1	109.1390	0.000	1	108.6460	0.486	2	108.6460	0.486	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(C[5]N[5]O)(N[5]S[5]H)	N[5](C[5]C[6a]C[5]O)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|H<1>,1|O<2>,1|S<4>,2|F<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(C[5]N[5]O)(N[5]S[5]H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	N[5](C[5]C[6a]C[5]O)(C[5]C[5,5]O)(CH3){1|N<3>,2|F<1>,3|C<3>}	108.6270	0.000	1	108.6270	0.000	1	108.6270	0.000	1	108.6270	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:4:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[6a]C[5])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(C[5]N[5]O)(CCHH)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	108.6340	0.326	4	108.6340	0.106	4	108.6340	0.106	4	108.2135	0.650	6	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:4:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	N[5,5]-3:C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5,5]C)(N[5]C[6a]C[5])(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(CCHH)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]N[5,5]C)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(CCHH){1|C<4>,1|S<2>,2|C<3>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	108.0090	0.000	1	108.0090	0.000	1	108.0090	0.000	1	108.2135	0.650	6	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:4:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	N[5,5]-3:C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]C)(N[5]C[6a]C[5])(O)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]N[5]O)(CH3)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]N[5,5]C[5]C)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(C[6a]C[6a]2){2|C<3>,2|H<1>,3|C<4>}	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	108.2135	0.650	6	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.6070	0.000	1	107.6070	0.000	1	107.8932	0.179	10	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){2|C<2>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CC)(C[5]N[5]O){1|C<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.2730	0.000	1	107.2730	0.000	1	107.8932	0.179	10	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,2|O<1>,4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.5755	0.367	2	107.5755	0.135	2	107.8932	0.179	10	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.2390	0.319	4	108.2390	0.102	4	107.8932	0.179	10	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){2|C<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.9725	0.095	2	107.9725	0.009	2	107.8932	0.179	10	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O){2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	109.3960	0.000	1	109.3960	0.000	1	108.2338	0.330	12	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O){1|Br<1>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.6880	1.025	2	108.3034	0.395	5	108.2338	0.330	12	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.0470	0.133	3	108.3034	0.395	5	108.2338	0.330	12	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.8330	0.000	1	107.9822	0.060	6	108.2338	0.330	12	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.9360	0.000	1	107.9822	0.060	6	108.2338	0.330	12	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.0310	0.297	4	107.9822	0.060	6	108.2338	0.330	12	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.8120	0.000	1	108.2242	0.326	4	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|O<2>,2|C<3>,2|C<4>}	108.3617	0.613	3	108.2242	0.326	4	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|O<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.4400	0.000	1	108.4400	0.000	1	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,2|C<3>,2|C<4>}	108.4640	1.913	2	108.4415	1.221	4	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<2>,2|C<3>,2|C<4>}	108.4190	0.000	2	108.4415	1.221	4	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.8028	0.917	4	107.8526	0.643	5	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.0520	0.000	1	107.8526	0.643	5	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]CO)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]C[5]CO)(C[5]N[5]O){1|N<3>,2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.2670	0.000	1	108.2670	0.000	1	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.9560	0.000	1	107.9560	0.000	1	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.8940	0.000	1	107.9083	0.011	3	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.8120	0.000	1	107.9083	0.011	3	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.0190	0.000	1	107.9083	0.011	3	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.3490	0.000	1	108.3490	0.000	1	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O){3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.7860	0.000	1	107.7860	0.000	1	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.3220	0.000	1	108.3220	0.000	1	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CC)(C[5]N[5]O){2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){2|C<3>,3|C<4>}	107.3610	0.000	1	107.3610	0.000	1	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){5|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.8585	0.221	2	108.8585	0.049	2	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.3992	0.473	4	108.3992	0.223	4	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){4|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.5575	0.087	2	107.5575	0.008	2	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|O<2>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.0480	0.000	1	107.0480	0.000	1	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.4860	0.000	1	108.0335	0.410	2	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.5810	0.000	1	108.0335	0.410	2	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.9570	0.000	1	107.9570	0.000	1	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O){3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.5550	0.000	1	107.5550	0.000	1	108.0886	0.393	36	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]N[5,5]C[5])(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	107.6190	0.163	2	107.6190	0.026	2	107.6190	0.026	2	108.0694	0.340	60	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5,5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5,5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O){2|N<3>,2|O<1>,3|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.5240	0.000	1	107.5240	0.000	1	107.5240	0.000	1	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5,6]CC)(C[5]C[3,5,6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5,6]CC)(C[5]C[3,5,6]HH)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.6870	0.000	1	107.6870	0.000	1	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5,5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5,5]HH)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	106.7840	0.000	1	106.7840	0.000	1	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.7540	0.000	1	107.7540	0.000	1	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|C<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	106.9590	0.000	1	106.9590	0.000	1	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.4220	0.000	1	107.4220	0.000	1	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]CH)(C[5]N[5]O){1|S<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.8790	0.000	1	107.8790	0.000	1	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O){1|H<1>,2|C<3>,2|C<4>}	107.4860	0.000	1	107.4860	0.000	1	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	108.0800	0.300	2	108.0800	0.090	2	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.9120	0.000	1	107.8225	0.016	2	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.7330	0.000	1	107.8225	0.016	2	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)2(C[5]N[5]O){2|H<1>,8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	108.6590	0.000	1	108.6590	0.000	1	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){3|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	107.9130	0.420	3	107.9130	0.176	3	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	106.8520	0.000	1	106.8520	0.000	1	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]O[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]O[5]CH)(C[5]N[5]O){1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.3880	0.000	1	107.3880	0.000	1	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|N<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.7380	0.000	1	107.6300	0.023	2	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.5220	0.000	1	107.6300	0.023	2	107.6671	0.234	19	107.6470	0.215	21	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.0830	0.369	6	108.0830	0.137	6	108.0199	0.089	14	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	107.9470	0.000	1	107.9470	0.000	1	108.0199	0.089	14	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|O<2>,1|S<2>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]C[5]CO)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	107.9255	0.037	2	107.9255	0.001	2	108.0199	0.089	14	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]S[5]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.9966	0.326	5	107.9966	0.106	5	108.0199	0.089	14	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.0430	0.000	1	108.0430	0.000	1	107.6495	0.310	2	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]H)(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]H)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.2560	0.000	1	107.2560	0.000	1	107.6495	0.310	2	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.3200	0.000	1	108.3200	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.8106	0.554	5	108.8106	0.307	5	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]C[5]HO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.7150	0.276	2	108.7150	0.076	2	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5,5]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5,5]CC)(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.1960	0.000	1	108.1960	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.8200	0.000	1	108.8200	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	109.1970	0.000	1	109.1970	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.1030	0.297	2	108.1030	0.088	2	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]N[5]O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Br<1>,2|C<3>,2|C<4>}	109.7710	0.000	1	109.7710	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.2370	0.000	1	108.2370	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CHHO){1|H<1>,2|C<3>,2|C<4>}	107.9770	0.000	1	107.9770	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CO)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<2>,2|C<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]CO)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|P<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.5000	0.000	1	107.5000	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]CH)(C[5]N[5]O){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	106.4100	0.000	1	106.4100	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	108.0720	0.000	1	108.0720	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	107.8910	0.000	1	107.8910	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	107.9090	0.000	1	107.9090	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.3190	0.000	1	108.7840	0.432	2	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]CC)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	109.2490	0.000	1	108.7840	0.432	2	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.3620	0.000	1	108.3620	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.7855	0.674	2	108.6483	0.283	3	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.3740	0.000	1	108.6483	0.283	3	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)2(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.1760	0.000	1	108.1760	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.1900	0.000	1	108.1900	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.3270	0.000	1	108.3270	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(C[5]S[5]CH)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.5150	0.000	1	108.5150	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	108.2470	0.000	1	108.2470	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.8320	0.000	1	107.7555	0.012	2	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.6790	0.000	1	107.7555	0.012	2	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|Cl<1>,2|C<3>,2|C<4>}	109.4290	0.000	1	107.8208	1.631	5	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.1460	0.199	2	107.8208	1.631	5	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	106.6915	1.066	2	107.8208	1.631	5	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.2467	0.049	3	108.2467	0.002	3	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.1820	0.000	1	108.1820	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.1540	0.212	2	108.1740	0.166	5	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.1873	0.556	3	108.1740	0.166	5	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[5]C[5]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<2>,2|C<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[5]C[5]CC)(C[5]N[5]O){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.6140	0.000	1	108.6140	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.4220	0.000	1	108.4220	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	107.9505	0.141	2	107.9505	0.020	2	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	108.7760	0.000	1	108.7760	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.6440	0.000	1	107.6440	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HS)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HS)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	107.8620	0.000	1	107.8620	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.2260	0.000	1	108.2260	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O){2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]C[6a]H)(C[5]N[5,5]CH)(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.6670	0.000	1	107.6670	0.000	1	108.2603	0.421	57	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(O){2|C<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|S<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	107.7180	0.000	1	107.7180	0.000	1	107.7180	0.000	1	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	N[5,5]-3:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]N[5,5]C[5]2)(N[5]C[5]C)(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5,5]N[5,5]C[5]2)(N[5]C[5]C)(O){1|C<2>,1|O<1>,3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	107.8620	0.000	1	107.8620	0.000	1	107.8620	0.000	1	108.1866	0.360	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:4:3:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	N[5,6]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,5]N[5,6]C[5]2)(N[5]C[5,6]C)(O)	C[5,5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)2(C[5]N[5]O)	N[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]N[5,6]C[5]2)(N[5]C[5,6]C)(O){4|C<4>,5|H<1>}	C[5,5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)2(C[5]N[5]O){1|C<3>,3|C<4>,6|H<1>}	N[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]O)(CCHH){1|N<3>,2|H<1>,3|C<4>}	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:2:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:O[5]-2:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]N[5,6])(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]N[5,6])(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|O<2>,2|H<1>}	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:2:3:3:	3:3:2:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){1|N<2>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	104.9400	0.000	1	105.0790	0.289	4	105.0790	0.289	4	105.0790	0.289	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:2:3:3:	3:3:2:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:O[5]-2:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	105.1253	0.648	3	105.0790	0.289	4	105.0790	0.289	4	105.0790	0.289	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:N[5]-2:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5])(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5])(H){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	108.0070	0.000	1	108.0070	0.000	1	108.0070	0.000	1	107.8483	0.384	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	108.1340	0.218	2	108.2093	0.041	3	108.2093	0.041	3	107.8483	0.384	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	108.3600	0.000	1	108.2093	0.041	3	108.2093	0.041	3	107.8483	0.384	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]N[5]O)(S[5]C[5])(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]N[5]O)(S[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	107.4343	0.803	3	107.4343	0.645	3	107.4343	0.645	3	107.8483	0.384	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(O[5]N[5])(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(O[5]N[5])(H){1|O<1>,4|C<4>}	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|O<2>,2|H<1>}	108.0540	0.000	1	108.0540	0.000	1	108.0985	0.148	8	108.0484	0.152	9	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|O<2>,2|H<1>}	107.8985	0.552	2	108.1049	0.172	7	108.0985	0.148	8	108.0484	0.152	9	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|O<2>,2|H<1>}	108.2973	0.498	3	108.1049	0.172	7	108.0985	0.148	8	108.0484	0.152	9	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(O[5]N[5])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|O<2>,2|H<1>}	108.0225	0.141	2	108.1049	0.172	7	108.0985	0.148	8	108.0484	0.152	9	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:S[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|S<2>,2|H<1>}	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	108.0484	0.152	9	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]H)(O[5]C[5])(H)	N[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(O){2|H<1>,2|O<2>}	112.4125	0.620	2	112.4125	0.385	2	112.4125	0.385	2	112.4125	0.385	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O)(O[5]C[5])(H)	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O)(O[5]C[5])(H){1|O<2>,4|C<4>}	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CCHH){2|H<1>,2|O<2>}	108.5190	0.000	1	108.5190	0.000	1	108.8067	0.063	3	109.4660	1.781	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O)(O[5]C[5])(H)	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O)(O[5]C[5])(H){1|O<2>,4|C<4>}	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]CH){2|H<1>,2|O<2>}	108.9170	0.000	1	108.9170	0.000	1	108.8067	0.063	3	109.4660	1.781	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O)(O[5]C[5])(H)	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(O){1|H<1>,2|C<4>,2|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]O)(O[5]C[5])(H){1|O<2>,4|C<4>}	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH){2|H<1>,2|O<2>}	108.9840	0.000	1	108.9840	0.000	1	108.8067	0.063	3	109.4660	1.781	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	S[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]S[5]C)(O)	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]O)(O[5]N[5])(H)	N[5](S[5]C[5,5]OO)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]O[5]H)(N[5]S[5]C)(O){1|C<3>,1|H<1>,1|N<2>,2|O<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]O)(O[5]N[5])(H){1|C<3>,1|C<4>,2|O<1>}	N[5](S[5]C[5,5]OO)(C[5]C[5,5]O)(CH3){1|C<3>,1|O<2>,2|H<1>}	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	109.4660	1.781	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O[5]-2:S[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]O[5]S[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])(S[5]C[5])	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CCHH)	C[5](C[5,5]C[5]O[5]S[5])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])(S[5]C[5]){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|O<2>}	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(O){1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]N[5]O){2|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]H)(H){1|H<1>,1|O<2>,2|C<3>}	107.4793	0.418	3	107.4793	0.175	3	107.4793	0.175	3	107.4793	0.175	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:3:	3:3:2:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O[5]-2:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]N[5])(O[5]C[5,6a])(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]N[5])(O){1|H<1>,6|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]N[5])(O[5]C[5,6a])(C[5]N[5]O){7|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	105.1880	0.000	1	105.1880	0.000	1	105.1880	0.000	1	105.1880	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.3710	0.000	1	107.3710	0.000	1	107.7075	0.226	2	107.7075	0.226	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:2:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:O[5]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.0440	0.000	1	108.0440	0.000	1	107.7075	0.226	2	107.7075	0.226	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)2(H){2|C<3>,2|H<1>}	107.7920	0.000	1	107.7920	0.000	1	107.7920	0.000	1	107.7920	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.6607	0.543	3	107.6607	0.295	3	107.8693	0.447	6	107.7547	0.323	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]C)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	107.5550	0.000	1	107.5550	0.000	1	107.8693	0.447	6	107.7547	0.323	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.6420	0.000	1	107.6420	0.000	1	107.8693	0.447	6	107.7547	0.323	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]N[5,5]C[5]C)(C[5]C[5,5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]N[5,5]C[5]C)(C[5]C[5,5]C)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	109.0370	0.000	1	109.0370	0.000	1	107.8693	0.447	6	107.7547	0.323	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5]C)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<2>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5]C)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	107.7470	0.000	1	107.7470	0.000	1	107.7470	0.000	1	107.7547	0.323	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[5]N[5]O)(H){2|C<4>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	107.0160	0.000	1	107.0160	0.000	1	107.0160	0.000	1	107.7547	0.323	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5,6]C[6a])(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5,6]C[6a])(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	107.9340	0.000	1	107.9340	0.000	1	107.7840	0.045	2	107.7547	0.323	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]N[5,6]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]N[5,6]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	107.6340	0.000	1	107.6340	0.000	1	107.7840	0.045	2	107.7547	0.323	10	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	108.1320	0.000	1	108.1320	0.000	1	108.2187	0.521	6	108.0441	0.648	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CC[6a]CH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)2(CC[6a]CH){1|C<3>,1|N<3>,2|H<1>}	108.1795	0.043	2	108.1795	0.002	2	108.2187	0.521	6	108.0441	0.648	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|N<3>,2|H<1>}	107.7500	0.000	1	107.7500	0.000	1	108.2187	0.521	6	108.0441	0.648	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|O<2>,2|H<1>}	108.5355	1.474	2	108.5355	2.174	2	108.2187	0.521	6	108.0441	0.648	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]C)(O){1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]N[5]O)(H){1|C<2>,1|C<4>,2|C<3>,2|N<3>,2|O<1>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	106.9970	0.000	1	106.9970	0.000	1	106.9970	0.000	1	108.0441	0.648	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5]-4:N[5]-3:O-1:	C[4,5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[4,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[4,5,5]C[5,6a]H)(N[5]C[4,5]H)(O)	C[5,5](C[4,5,5]C[4,5]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	N[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[4,5,5]C[5,6a]H)(N[5]C[4,5]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[4,5,5]C[4,5]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	N[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	109.2930	0.000	1	109.2930	0.000	1	109.2930	0.000	1	109.2930	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5,5]-4:N[5]-3:H-1:	B[5]-4:C[5,5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]B[5]H)(N[5]C[5]C)(H)	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]N[5]H)(H)	N[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(CC3)	C[5](C[5,5]C[5,5]B[5]H)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,5](B[5]C[6a]2C[5])(C[5,5]C[5]2)(C[5]N[5]H)(H){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(CC3){1|B<4>,1|C<3>,1|H<1>}	114.3690	0.226	2	114.3690	0.051	2	114.3690	0.051	2	110.6968	11.554	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[3x5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5,5]C)(O)	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O)(C[5]N[5]O)(H)	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5,5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[3x5]C[5,5]2C)(C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	110.6968	11.554	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5]-3:N[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5,6]N[5]H)(N[5]C[5,6]C)(O)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC3)	C[5](C[5,5]C[5,5,6]N[5]H)(N[5]C[5,6]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]O)(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC3){1|N<3>,3|C<3>,3|H<1>}	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	110.6968	11.554	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5,6]C)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]O[5])(C[5]N[5]O)(H)	N[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5,6]C)(O){1|H<1>,1|O<2>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]O[5])(C[5]N[5]O)(H){1|O<2>,3|H<1>,4|C<4>}	N[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]O)(CH3){1|O<2>,4|C<4>,4|H<1>}	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	110.6968	11.554	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:2:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]H)(O){1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.1060	0.000	1	107.1060	0.000	1	107.1060	0.000	1	106.2790	0.576	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:2:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]N[5,5]O)(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]N[5])(C[5]N[5]O)(OC)	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(H)	C[5](C[5,5]C[5,5]N[5,5]O)(N[5]C[5]H)(O){1|H<1>,1|N<3>,1|S<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]N[5])(C[5]N[5]O)(OC){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]S)(H){1|C<4>,1|N<3>,1|O<2>}	105.8655	0.354	2	105.8655	0.126	2	105.8655	0.126	2	106.2790	0.576	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:2:	3:3:2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]O[5])(N[5]C[6a]N[5])(O){1|C<4>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:2:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]N[5]O)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]O)(C[5]N[5]O)(OH)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]N[5]O)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]O)(C[5]N[5]O)(OH){1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	107.7378	0.240	4	107.7378	0.057	4	107.7378	0.057	4	107.2805	0.548	6	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:2:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]C[5])(O)	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5]2O[5])(N[5]C[6a]C[5])(O){2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	106.3660	0.238	2	106.3660	0.056	2	106.3660	0.056	2	107.2805	0.548	6	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	106.2103	3.833	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,6]O[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	106.2103	3.833	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(C[5]N[5]O)(N[5]C[5])	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(C[5]N[5]O)(N[5]C[5]){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO){1|C<3>,1|C<4>}	104.3640	0.000	1	104.3640	0.000	1	104.5210	0.049	2	106.2103	3.833	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(N[5]C[5])	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]O)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO){1|C<3>,1|C<4>}	104.6780	0.000	1	104.6780	0.000	1	104.5210	0.049	2	106.2103	3.833	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:2:	3:4:1:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:O[5]-2:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(O)	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5])	N[5](C[5]C[5,5]O)(C[5]C[5]CO)(H)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5,5](C[5]C[5]HO)(C[5]C[5]O)(C[5]N[5]O)(O[5]C[5]){1|H<1>,1|O<2>,3|C<4>}	N[5](C[5]C[5,5]O)(C[5]C[5]CO)(H){1|C<3>,1|H<1>,2|O<2>}	106.5250	0.000	1	106.5250	0.000	1	106.5250	0.000	1	106.5250	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){2|C<4>,6|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	107.8026	0.241	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|N<3>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,1|S<1>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	107.8026	0.241	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	107.8026	0.241	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8880	0.523	2	107.8880	0.274	2	107.8880	0.274	2	107.8026	0.241	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8400	0.465	2	107.8400	0.216	2	107.8400	0.216	2	107.8026	0.241	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:2:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(O){1|H<1>,1|N<2>,6|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]N[5]O){1|Br<1>,7|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	104.0990	0.000	1	104.0990	0.000	1	104.0990	0.000	1	104.0990	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C[6a])(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,7|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	109.0440	0.406	2	109.0440	0.165	2	109.0440	0.165	2	108.9057	0.140	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:N[5]-3:S-1:	C[5]-4:C[5]-3:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(S)	C[5,5](C[5]C[5]CH)(C[5]N[5]S)(N[5]C[5]C)2	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(S){1|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5]C[5]CH)(C[5]N[5]S)(N[5]C[5]C)2{2|C<3>,4|H<1>}	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|H<1>}	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	108.9057	0.140	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.0375	0.064	2	108.0375	0.004	2	107.9292	0.091	4	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.1540	0.000	1	108.1540	0.000	1	107.9292	0.091	4	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<2>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.4880	0.000	1	107.4880	0.000	1	107.9292	0.091	4	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.9530	0.600	2	107.9530	0.360	2	107.9034	0.082	8	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.2670	0.000	1	107.9677	0.070	3	107.9034	0.082	8	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8670	0.000	1	107.9677	0.070	3	107.9034	0.082	8	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.7690	0.000	1	107.9677	0.070	3	107.9034	0.082	8	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8660	0.000	1	107.8660	0.000	1	107.9034	0.082	8	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8930	0.000	1	107.7760	0.027	2	107.9034	0.082	8	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.6590	0.000	1	107.7760	0.027	2	107.9034	0.082	8	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.7740	0.000	1	107.7740	0.000	1	107.7740	0.000	1	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0520	0.000	1	108.0520	0.000	1	107.8720	0.079	3	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|H<1>,1|N<3>,1|S<1>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.7820	0.331	2	107.7820	0.110	2	107.8720	0.079	3	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8480	0.000	1	107.8480	0.000	1	107.8480	0.000	1	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]N)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]N)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>}	108.4560	0.000	1	108.4560	0.000	1	108.4560	0.000	1	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:S-1:	C[5,5]-4:C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(S)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]N)(C[5]N[5]S)(CNO)	N[5](C[5]C[5,5]N)(C[5]C[5,5]S)(CH3)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(S){1|N<3>,2|C<3>,2|N<2>}	C[5,5](C[5,5]C[5]2C)(C[5]N[5]N)(C[5]N[5]S)(CNO){1|N<2>,1|S<1>,2|C<4>}	N[5](C[5]C[5,5]N)(C[5]C[5,5]S)(CH3){4|C<3>}	107.4230	0.049	2	107.4230	0.002	2	107.4230	0.002	2	107.8792	0.086	22	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:4:2:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:S-4:N[5]-2:	C[5](C[5,5]C[5]3)(N[5]N[5]S)(O)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(SC[6a]OO)(N[5]C[5])	C[5](C[5,5]C[5]3)(N[5]N[5]S)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|S<4>,4|H<1>}	N[5](C[5]C[5,5]O)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|C<4>}	104.2150	0.000	1	104.2150	0.000	1	104.2150	0.000	1	104.2150	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[3x5]-4:C[6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C[6]-4:	C[5](C[5,5]C[3x5]C[6a]N[5])(N[5]C[5,5]C[6])(O)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]O)(C[6]C[6]2H)	C[5](C[5,5]C[3x5]C[6a]N[5])(N[5]C[5,5]C[6])(O){1|N<3>,2|H<1>,4|C<3>,4|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]O)(C[6]C[6]2H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	109.2560	1.584	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:N[5,5]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:C-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]S[5]C)(O)	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]O)	N[5](S[5]N[5,5]OO)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]S[5]C)(O){1|N<2>,2|O<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5](S[5]N[5,5]OO)(C[5]C[5,5]O)(CH3){1|C<4>,2|C<3>}	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	109.2560	1.584	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|C<2>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.6870	0.000	1	107.6870	0.000	1	107.6888	0.343	13	107.7332	0.285	17	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.5652	0.435	6	107.7141	0.313	7	107.6888	0.343	13	107.7332	0.285	17	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.6080	0.000	1	107.7141	0.313	7	107.6888	0.343	13	107.7332	0.285	17	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.4670	0.000	1	108.4435	0.001	2	107.6888	0.343	13	107.7332	0.285	17	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.4200	0.000	1	108.4435	0.001	2	107.6888	0.343	13	107.7332	0.285	17	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	106.9250	0.000	1	107.1270	0.071	3	107.6888	0.343	13	107.7332	0.285	17	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.2280	0.286	2	107.1270	0.071	3	107.6888	0.343	13	107.7332	0.285	17	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.1570	0.000	2	108.1570	0.000	2	107.8775	0.113	4	107.7332	0.285	17	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<2>,1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.4810	0.000	1	107.5980	0.027	2	107.8775	0.113	4	107.7332	0.285	17	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.7150	0.000	1	107.5980	0.027	2	107.8775	0.113	4	107.7332	0.285	17	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,9|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.5780	0.000	1	107.5780	0.000	1	107.9481	0.567	9	108.1597	0.558	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	106.3900	0.000	1	106.3900	0.000	1	107.9481	0.567	9	108.1597	0.558	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	108.4862	0.185	5	108.4862	0.034	5	107.9481	0.567	9	108.1597	0.558	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.5670	0.315	2	107.5670	0.099	2	107.9481	0.567	9	108.1597	0.558	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	108.8557	0.364	3	108.8557	0.133	3	108.8557	0.133	3	108.1597	0.558	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	108.1597	0.558	13	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[3,5]-4:C[5,6a]-3:N[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,4|C<4>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.9420	0.000	1	108.9420	0.000	1	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.2460	0.000	1	108.2460	0.000	1	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.8300	0.000	1	107.8300	0.000	1	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	107.3950	0.000	1	108.1780	0.201	6	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.4810	0.219	3	108.1780	0.201	6	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.1150	0.107	2	108.1780	0.201	6	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.7270	0.000	1	108.7270	0.000	1	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.2140	0.000	1	108.1335	0.013	2	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.0530	0.000	1	108.1335	0.013	2	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.9610	0.000	1	107.8230	0.038	2	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|O<2>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.6850	0.000	1	107.8230	0.038	2	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.9970	0.000	1	107.9970	0.000	1	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.3130	0.000	1	108.3130	0.000	1	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.3340	0.000	1	107.8740	0.423	2	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,2|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.4140	0.000	1	107.8740	0.423	2	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.3070	0.000	1	108.3070	0.000	1	108.1627	0.166	19	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]N[5,5]C[5])(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5,5]C[5,5]N[5,5]C[5])(N[5]C[5]C)(O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<3>,2|C<4>,2|N<3>,2|O<1>,4|H<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6,6]N[5,3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,6,6]N[5,3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]HH)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	108.2382	0.195	23	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	3:4:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:S-4:	C[5](C[5,5]C[5]3)(N[5]C[5]S)(O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(O){1|O<1>,3|C<3>,5|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|S<4>,3|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	107.7340	0.000	1	107.7340	0.000	1	107.7340	0.000	1	107.7340	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:4:3:	4:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:N[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]N[5a]C[5])(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]N[5a]C[5])(N[5]C[5]H)(O){1|C<3>,1|O<2>,3|N<2>,4|H<1>}	C[5,5](C[5,5]C[5]N[5]O)(N[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O){3|C<3>,3|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	108.9870	0.000	1	108.9870	0.000	1	108.9870	0.000	1	108.9870	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5]2N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(H)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5]C[5]2N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,2|C<3>,3|H<1>,3|O<1>}	N[5](C[5]C[5,5]O)2(H){2|C<4>,2|H<1>}	107.9890	0.000	1	107.9890	0.000	1	108.1475	0.050	2	107.9519	0.282	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]H)(O)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(H)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[5]C[5,5]O)2(H){2|C<4>,2|H<1>}	108.3060	0.000	1	108.3060	0.000	1	108.1475	0.050	2	107.9519	0.282	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]O)2(H){2|C<4>,2|H<1>}	107.8870	0.000	1	107.8870	0.000	1	107.8736	0.384	5	107.9519	0.282	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)2(H){2|C<4>,2|H<1>}	108.3670	0.000	1	108.3670	0.000	1	107.8736	0.384	5	107.9519	0.282	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5]O)2(H){2|C<4>,2|H<1>}	106.9480	0.000	1	106.9480	0.000	1	107.8736	0.384	5	107.9519	0.282	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)2(H){2|C<4>,2|H<1>}	107.6660	0.000	1	107.6660	0.000	1	107.8736	0.384	5	107.9519	0.282	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5]2S)(C[5]C[5]HO)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(O){1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	C[5,5](C[5,5]C[5]2S)(C[5]C[5]HO)(C[5]N[5]O)(H){1|O<1>,5|H<1>}	N[5](C[5]C[5,5]O)2(H){1|H<1>,1|S<2>,2|C<4>}	108.5000	0.000	1	108.5000	0.000	1	107.8736	0.384	5	107.9519	0.282	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5950	0.311	2	108.5950	0.097	2	108.1749	0.248	19	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.0655	0.145	2	108.0655	0.021	2	108.1749	0.248	19	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2N[5,5])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,6|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	107.7040	0.000	1	107.7040	0.000	1	108.1749	0.248	19	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.0380	0.000	1	108.0380	0.000	1	108.1749	0.248	19	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.0703	0.469	3	108.0703	0.220	3	108.1749	0.248	19	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.4010	0.000	1	107.4010	0.000	1	108.1749	0.248	19	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.1585	0.161	2	108.1585	0.026	2	108.1749	0.248	19	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]N[5,5,6]C[5,5]C)(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]N[5,5,6]C[5,5]C)(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.7430	0.354	2	107.7430	0.125	2	108.1749	0.248	19	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]N[5,5,6]C[6a]C[5])(C[5,5]N[5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5,5](C[5,5]N[5,5,6]C[6a]C[5])(C[5,5]N[5,6]C[5]H)(C[5]N[5]O)(H){1|O<2>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.1410	0.000	1	108.1410	0.000	1	108.1749	0.248	19	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.9030	0.150	2	108.6760	0.377	4	108.1749	0.248	19	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]2H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4490	0.950	2	108.6760	0.377	4	108.1749	0.248	19	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(COO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(COO){2|C<4>,2|H<1>}	107.2550	0.000	1	107.2550	0.000	1	107.2550	0.000	1	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,7|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.2920	0.000	1	108.2920	0.000	1	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.7140	0.000	1	108.7140	0.000	1	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.9308	0.342	4	108.9308	0.117	4	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.5850	0.317	2	107.5850	0.100	2	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.7980	0.000	1	108.7980	0.000	1	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.2720	0.000	1	107.2720	0.000	1	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.5490	0.000	1	107.5490	0.000	1	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.3410	0.000	1	108.3410	0.000	1	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.6965	0.037	2	108.6965	0.001	2	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	108.1680	0.000	1	108.7445	0.665	2	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	109.3210	0.000	1	108.7445	0.665	2	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.0640	0.000	1	108.3205	0.083	8	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.4570	0.000	1	108.3205	0.083	8	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.1465	0.581	2	108.3205	0.083	8	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4375	0.126	4	108.3205	0.083	8	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.4950	0.000	1	108.1310	0.222	5	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4955	0.115	2	108.1310	0.222	5	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4000	0.000	1	108.1310	0.222	5	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.7690	0.000	1	108.1310	0.222	5	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.7280	0.317	2	108.1552	2.166	4	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.5825	2.255	2	108.1552	2.166	4	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	109.1880	0.000	1	109.1880	0.000	1	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	109.0490	0.000	1	108.7055	0.236	2	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	108.3620	0.000	1	108.7055	0.236	2	108.3661	0.454	36	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	107.3810	0.000	1	107.3810	0.000	1	108.0652	0.264	8	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|I<1>,1|O<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.1570	0.000	1	108.2525	0.018	2	108.0652	0.264	8	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6]N[5,5,6]C[6]H)(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.3480	0.000	1	108.2525	0.018	2	108.0652	0.264	8	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,6]N[5,5,6]C[6a]C[6])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,5](C[5,6]N[5,5,6]C[6a]C[6])(C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	107.7740	0.000	1	107.7740	0.000	1	108.0652	0.264	8	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.4650	0.000	1	107.4650	0.000	1	108.0652	0.264	8	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.2020	0.000	1	108.5795	0.285	2	108.0652	0.264	8	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.9570	0.000	1	108.5795	0.285	2	108.0652	0.264	8	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.2380	0.000	1	108.2380	0.000	1	108.0652	0.264	8	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(COO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,6|C<3>}	N[5](C[5]C[5,5]O)2(COO){2|C<4>,2|H<1>}	107.6880	0.000	1	107.6880	0.000	1	107.6880	0.000	1	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,6|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.7500	0.000	1	107.7500	0.000	1	107.7725	0.231	10	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.6795	0.368	4	107.6795	0.136	4	107.7725	0.231	10	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.0230	0.000	2	107.8514	0.402	5	107.7725	0.231	10	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.7090	1.228	2	107.8514	0.402	5	107.7725	0.231	10	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.7930	0.000	1	107.8514	0.402	5	107.7725	0.231	10	108.1826	0.384	75	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5,6]C[5,5,6]N[5,6,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5,6]C[5,5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5,6]C[5,5,6]N[5,6,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,2|N<3>,2|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]C)(O)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]O)(CH3){1|N<3>,2|H<1>,3|C<4>}	107.8580	0.000	1	107.8580	0.000	1	107.8580	0.000	1	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.3180	0.000	1	108.3180	0.000	1	108.4709	0.137	13	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]2)(C[5]N[5]O)(H){1|C<3>,2|C<4>,2|N<3>,2|O<1>,3|H<1>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.9300	0.000	1	108.9300	0.000	1	108.4709	0.137	13	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]N[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,5|C<4>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.0300	0.000	1	108.0300	0.000	1	108.4709	0.137	13	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]N[5,5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	108.3547	0.530	4	108.3547	0.281	4	108.4709	0.137	13	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	108.8790	0.000	1	108.5515	0.215	2	108.4709	0.137	13	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5]N[5,5]C[5]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	108.2240	0.000	1	108.5515	0.215	2	108.4709	0.137	13	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CC[6a]HH)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[5]C[5,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	108.5475	0.121	2	108.5475	0.015	2	108.4709	0.137	13	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.5040	0.000	1	108.6135	0.024	2	108.4709	0.137	13	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.7230	0.000	1	108.6135	0.024	2	108.4709	0.137	13	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6,6]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5,5,6]C[5]H)(C[5,6]N[5,6,6]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	107.8460	0.000	1	107.8460	0.000	1	108.1527	0.051	4	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]C)(C[5]N[5]O)(H){1|C<4>,1|D<1>,1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.1890	0.000	1	108.1890	0.000	1	108.1527	0.051	4	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H){1|D<1>,1|O<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.1890	0.000	1	108.1890	0.000	1	108.1527	0.051	4	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[6]2N[5])(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5,6]C[6]2N[5])(C[5]N[5]O)(H){1|O<1>,4|C<4>,4|H<1>}	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|O<2>,2|H<1>}	108.3870	0.000	1	108.3870	0.000	1	108.1527	0.051	4	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,5|C<3>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.5400	0.000	1	108.5400	0.000	1	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CC)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.8910	0.000	1	108.8910	0.000	1	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.4170	0.000	1	108.4170	0.000	1	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	108.2315	0.182	2	108.2080	0.018	3	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[5a]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>}	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	108.1610	0.000	1	108.2080	0.018	3	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	108.4810	0.000	1	108.5840	0.015	3	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	108.6355	0.121	2	108.5840	0.015	3	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	108.4835	0.296	2	108.4835	0.088	2	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]N[5,6]C[6a]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	107.8380	0.000	1	107.8380	0.000	1	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HN)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HN)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)2(CCHH){1|C<3>,1|C<4>,2|H<1>}	108.7270	0.000	1	108.7270	0.000	1	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CO)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5]C[5,5]O)2(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	107.8620	0.000	1	107.8620	0.000	1	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]N[5]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	N[5](C[5]C[5,5]O)2(CCHH){1|H<1>,3|C<4>}	108.1660	0.000	1	108.1660	0.000	1	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CC[6]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,4|H<1>}	N[5](C[5]C[5,5]O)2(CC[6]HH){2|C<4>,2|H<1>}	108.4830	0.000	1	108.4830	0.000	1	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CC[6]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5]C[5,5]O)2(CC[6]HH){2|C<4>,2|H<1>}	108.9670	0.000	1	108.9670	0.000	1	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	108.7640	0.000	1	107.8570	1.645	2	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	106.9500	0.000	1	107.8570	1.645	2	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	108.3600	0.000	1	108.3600	0.000	1	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	107.8515	0.969	2	107.4982	0.381	5	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CC)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	107.2627	0.290	3	107.4982	0.381	5	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	108.4030	0.000	1	108.4030	0.000	1	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.5140	0.074	2	108.2709	0.116	7	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<4>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.4580	0.000	1	108.2709	0.116	7	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.6550	0.000	1	108.2709	0.116	7	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	107.9183	0.092	3	108.2709	0.116	7	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	109.3800	0.000	1	109.3800	0.000	1	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5a]N[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|O<2>,2|H<1>}	108.4035	0.210	2	108.4035	0.044	2	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|O<2>,2|H<1>}	109.0860	0.000	1	109.0860	0.000	1	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|O<2>,2|H<1>}	108.8635	0.183	2	108.8635	0.034	2	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]HO)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|S<2>,2|H<1>}	109.2260	0.000	1	109.2260	0.000	1	108.3331	0.329	40	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O)	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,6]N[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	106.9570	0.000	1	106.9570	0.000	1	108.5845	5.298	2	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O)	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,6]N[5,6]C[6]H)(C[5,5]C[5]O[5]H)(C[5]N[5]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)2(CH3){1|C<4>,1|O<2>,2|H<1>}	110.2120	0.000	1	110.2120	0.000	1	108.5845	5.298	2	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	109.1150	0.000	1	109.1150	0.000	1	108.1060	0.557	8	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	107.5300	0.000	1	107.8820	0.248	2	108.1060	0.557	8	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,3|C<3>,3|C<4>}	N[5](C[5]C[5,5]O)2(CCHH){2|C<4>,2|H<1>}	108.2340	0.000	1	107.8820	0.248	2	108.1060	0.557	8	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	108.4880	0.000	1	108.3095	0.064	2	108.1060	0.557	8	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]O)2(CC[6a]HH){2|C<4>,2|H<1>}	108.1310	0.000	1	108.3095	0.064	2	108.1060	0.557	8	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	108.3675	0.170	2	107.7833	1.038	3	108.1060	0.557	8	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]O)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5,5]O)2(CH3){2|C<4>,2|H<1>}	106.6150	0.000	1	107.7833	1.038	3	108.1060	0.557	8	108.3294	0.370	69	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5]-4:N[5]-3:O-1:	N[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(O)	C[5,5](N[5,5]C[5]2Pd)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(O){1|Pd<4>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](N[5,5]C[5]2Pd)(C[5]C[5]HH)(C[5]N[5]O)(H){2|C<3>,5|H<1>}	N[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(C[6a]C[6a]2){1|Pd<4>,2|C<4>,3|H<1>,4|C<3>}	108.2840	0.066	2	108.2840	0.004	2	108.2840	0.004	2	108.2840	0.004	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]C)(O)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]N[5]O)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]CH)(C[5]N[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	108.3505	0.002	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]N[5,5]C[6a]H)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(CC[6a]HH){2|C<4>,2|H<1>}	108.3840	0.000	1	108.3840	0.000	1	108.3840	0.000	1	108.3505	0.002	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	108.3130	0.000	2	108.3130	0.000	2	108.3130	0.000	2	108.3505	0.002	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:2:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]S)(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(SC)	N[5](C[5]C[5,5]O)2(H)	C[5](C[5,5]C[5,5]C[5]S)(N[5]C[5]H)(O){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(SC){1|O<1>,1|O<2>,4|H<1>}	N[5](C[5]C[5,5]O)2(H){1|H<1>,1|S<2>,2|C<4>}	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	111.1370	5.449	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:2:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[5]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(S[5]C[5])	N[5](C[5]C[5,5]O)(C[5]S[5]S)(H)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[5]S[5]S)(H){2|C<4>}	112.4365	0.179	2	112.4365	0.032	2	112.2990	0.073	3	111.1370	5.449	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:2:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[5]H)(O)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5])	N[5](C[5]C[5,5]O)(C[5]S[5]S)(H)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[5]H)(O){1|C<3>,1|N<3>,1|S<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]N[5]O)(S[5]C[5]){1|S<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[5]S[5]S)(H){2|C<4>}	112.0240	0.000	1	112.0240	0.000	1	112.2990	0.073	3	111.1370	5.449	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:2:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]S[5]N)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]S[5]N){2|C<3>,2|C<4>,2|H<1>}	111.9560	0.000	1	111.9900	0.002	2	111.8463	0.063	3	111.8463	0.063	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:2:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]S[5]N)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]S[5]N){2|C<3>,2|C<4>,2|H<1>}	112.0240	0.000	1	111.9900	0.002	2	111.8463	0.063	3	111.8463	0.063	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:2:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]S[5]S)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|S<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]S[5]S){2|C<3>,2|C<4>,2|H<1>}	111.5590	0.000	1	111.5590	0.000	1	111.8463	0.063	3	111.8463	0.063	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]HH)(C[5]N[5]O)(N[5]C[5])	N[5](C[5]C[5,5]O)(C[5]N[5]H)(CC[6a]HH)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]HH)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]H)(CC[6a]HH){2|C<4>}	104.4825	0.342	2	104.4825	0.117	2	104.8132	0.185	4	107.2273	14.759	6	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5])	N[5](C[5]C[5,5]O)(C[5]N[5]H)(CC[6a]HH)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]H)(CC[6a]HH){2|C<4>}	105.1440	0.041	2	105.1440	0.002	2	104.8132	0.185	4	107.2273	14.759	6	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2S[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5])	N[5](C[5]C[5,5]O)(C[5]S[5]S)(CC3)	C[5](C[5,5]C[5]2S[5])(N[5]C[5]C)(O){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[5]S[5]S)(CC3){2|C<4>}	110.7700	0.000	1	110.7700	0.000	1	112.0555	3.305	2	107.2273	14.759	6	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:2:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2S[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]N[5]O)(S[5]C[5])	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CC[6a]HH)	C[5](C[5,5]C[5]2S[5])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<4>,1|O<1>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(C[5]N[5]O)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]O)(C[5]S[5]O)(CC[6a]HH){2|C<4>}	113.3410	0.000	1	113.3410	0.000	1	112.0555	3.305	2	107.2273	14.759	6	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(O)	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(H)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(O){1|O<1>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]H){1|O<1>,5|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	107.3760	0.000	1	107.3760	0.000	1	107.3760	0.000	1	106.5910	1.232	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:S-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(S)	C[5,5](C[5]C[5]HH)2(C[5]N[5]S)(N[5]C[5]H)	N[5](C[5]C[5,5]S)(C[5]N[5]S)(H)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(S){1|S<1>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]S)(N[5]C[5]H){1|S<1>,5|H<1>}	N[5](C[5]C[5,5]S)(C[5]N[5]S)(H){1|H<1>,2|C<4>}	105.8060	0.000	1	105.8060	0.000	1	105.8060	0.000	1	106.5910	1.232	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:3:2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[6a]N[5])(O)	C[5,5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[6a]N[5])(O){1|H<1>,4|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]C[6a]H)(C[5]N[5]C)(C[5]N[5]O){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	105.9740	0.000	1	105.9740	0.000	1	105.7550	0.050	4	105.4954	0.110	8	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:3:2:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[6a]N[5])(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,1|N<2>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	105.6820	0.207	3	105.6820	0.043	3	105.7550	0.050	4	105.4954	0.110	8	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:3:2:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,5]C[5,6]C[5]2)(N[5]C[6a]N[5])(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5,6]C[5]2)(N[5]C[6a]N[5])(O){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]N[5]C)(C[5]N[5]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	105.2357	0.166	4	105.2357	0.027	4	105.2357	0.027	4	105.4954	0.110	8	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]C[5])(O)	C[5,5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[5]N[5]O)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	107.2830	1.826	4	107.2830	3.333	4	107.5442	2.841	5	107.5442	2.841	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]C[5])(O)	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]S)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]C[5])(O){1|O<1>,1|S<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]S){1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.5890	0.000	1	108.5890	0.000	1	107.5442	2.841	5	107.5442	2.841	5	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(COO)	N[5](C[5]C[5,5]O)2(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)(COO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5]C[5,5]O)2(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	107.6108	0.665	6	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]3)(N[5]C[5]C)(O)	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]C[5]C)(CCCH)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(O){1|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(C[5]N[5]O){2|C<4>,2|H<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]C)(CCCH){1|C<3>,2|C<4>}	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	107.6108	0.665	6	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[5]CH)(C[5]C[5]HO)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|N<2>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HO)(C[5]N[5]O)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]O)(C[5]N[5]N)(CHHO){1|H<1>,2|C<4>}	107.9050	0.000	1	107.9050	0.000	1	107.1530	0.269	4	107.6108	0.665	6	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|O<1>,2|C<3>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	106.8110	0.000	1	106.9023	0.027	3	107.1530	0.269	4	107.6108	0.665	6	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|O<1>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	106.9480	0.204	2	106.9023	0.027	3	107.1530	0.269	4	107.6108	0.665	6	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:4:1:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(O)	C[5,5](C[5]C[6a]C[5]H)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]H)(O){2|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)2(C[5]N[5]O)(N[5]C[5]H){1|N<3>,5|C<3>,5|H<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	108.4305	0.059	2	108.4305	0.003	2	108.4305	0.003	2	108.4305	0.003	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:4:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:S-4:	C[5](C[5,5]C[5]3)(N[5]C[5]S)(O)	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]O)(C[5]N[5]O){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	106.6510	0.000	1	106.6510	0.000	1	106.6510	0.000	1	107.4500	1.277	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:4:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,5]O)(C[5]C[5]HO)(CH3)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	107.4500	1.277	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	4:3:1:	C[5,5]-4:N[5]-3:S-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5]3)(N[5]C[5,5]H)(S)	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]N[5]S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H)	C[5](C[5,5]C[5]3)(N[5]C[5,5]H)(S){1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[5]N[5]S){1|H<1>,1|O<2>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:4:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5,5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5]C[5,5]O)2(CCHH)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)2(CCHH){1|H<1>,3|C<4>}	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:4:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]2H)(C[5]N[5]O)(CH3)	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O){3|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]2H)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CH3){1|H<1>,3|C<4>}	109.6580	0.000	1	109.6580	0.000	1	110.0695	0.339	2	110.0695	0.339	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:4:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(CH3)	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<4>,6|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CH3){1|H<1>,3|C<4>}	110.4810	0.000	1	110.4810	0.000	1	110.0695	0.339	2	110.0695	0.339	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:4:3:	3:3:2:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5,5]C[5]3)(N[5]C[5]O)(O)	C[5,5](C[5]C[5]HH)3(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(OC)	C[5](C[5,5]C[5]3)(N[5]C[5]O)(O){1|O<1>,2|C<4>,6|H<1>}	C[5,5](C[5]C[5]HH)3(C[5]N[5]O){1|O<1>,1|O<2>,4|H<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(OC){2|C<4>,2|H<1>}	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	108.8852	0.871	4	108.8852	0.759	4	108.7538	0.576	6	108.7647	0.481	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,6|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	108.0450	0.000	1	108.0450	0.000	1	108.7538	0.576	6	108.7647	0.481	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[6a]C[5])(O)	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	108.9370	0.000	1	108.9370	0.000	1	108.7538	0.576	6	108.7647	0.481	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:4:3:	3:3:3:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5,6]C[5]2)(N[5]C[6a]C[5])(O)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5,6]C[5]2)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,7|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	108.7647	0.481	7	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]2C[5])(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5,5]C[5,5]2C[5])(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)(C[5]N[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>,3|O<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1	109.1703	0.186	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	108.6770	0.000	1	108.6770	0.000	1	108.6770	0.000	1	109.1703	0.186	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:4:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]3)(N[5]C[5]C)(O)	C[5,5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(O){1|O<1>,4|C<4>,4|H<1>}	C[5,5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(C[5]C[5]HH)(C[5]N[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	109.1703	0.186	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:4:3:	3:4:1:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]3)(N[5]C[5]H)(O)	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5]3)(N[5]C[5]H)(O){1|C<4>,1|N<3>,8|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O){1|C<3>,5|H<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(H){2|C<4>,2|H<1>}	108.3880	0.000	1	108.4965	0.024	2	108.4965	0.024	2	108.4965	0.024	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:4:3:	3:4:1:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5]3)(N[5]C[5]H)(O)	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5]3)(N[5]C[5]H)(O){1|C<4>,1|N<3>,8|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]HH)(C[5]N[5]O){1|C<4>,5|H<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(H){2|C<4>,2|H<1>}	108.6050	0.000	1	108.4965	0.024	2	108.4965	0.024	2	108.4965	0.024	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:4:3:	4:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:S-4:	C[5](C[5,5]C[5,6]C[5]2)(N[5]C[5,6]S)(O)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)2(C[5]N[5]O)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,5]O)(SC[6a]OO)	C[5](C[5,5]C[5,6]C[5]2)(N[5]C[5,6]S)(O){1|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)2(C[5]N[5]O){1|S<4>,3|H<1>,4|C<3>}	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,5]O)(SC[6a]OO){2|H<1>,3|C<3>,3|C<4>}	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:2:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:N-2:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CH3)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS){2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.6025	0.117	2	107.5023	0.037	3	107.5023	0.037	3	107.5023	0.037	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:2:	3:3:3:2:	3:3:4:	C[5,5]-4:N[5]-3:N-2:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CH3)	C[5](C[5,5]C[5,6a]N[5]O[5])(N[5]C[5,6a]C)(NS){2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){3|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.3020	0.000	1	107.5023	0.037	3	107.5023	0.037	3	107.5023	0.037	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:2:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:N-2:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NS)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]HH)(C[5]N[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CCHH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NS){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]HH)(C[5]N[5]N){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8110	0.000	1	107.8110	0.000	1	107.8110	0.000	1	106.9790	1.384	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:2:	3:3:4:3:	3:3:4:	C[5,5]-4:N[5]-3:N-2:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(NH)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]N)	N[5](C[5]C[5,5]N)(C[5]N[5,5]O)(CCHH)	C[5](C[5,5]N[5,5]C[6a]C[5])(N[5]C[5]C)(NH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]N){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,5]N)(C[5]N[5,5]O)(CCHH){1|C<3>,2|C<4>}	106.1470	0.000	1	106.1470	0.000	1	106.1470	0.000	1	106.9790	1.384	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:2:	3:4:3:3:	3:4:1:	C[5,5]-4:N[5]-3:N-2:	C[5,6a]-3:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(NS)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]N)	N[5](C[5]C[5,5]N)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(NS){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]C)(C[5]N[5]N){2|C<3>,4|H<1>}	N[5](C[5]C[5,5]N)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:2:	3:4:4:3:	3:3:1:	C[5,5]-4:N[5]-3:N-2:	C[5,6a]-3:C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(NS)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(NS){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]N){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(H){1|H<1>,2|C<3>,2|C<4>}	108.7870	0.000	1	108.7870	0.000	1	108.7870	0.000	1	108.7870	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:2:	4:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:N-2:	C[5,5]-4:C[5]-3:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NH)	C[5,5](C[5,5]C[5]2C)(C[5]N[5]N)(C[5]N[5]S)(CNO)	N[5](C[5]C[5,5]N)(C[5]C[5,5]S)(CH3)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NH){1|N<3>,2|C<3>,2|S<1>}	C[5,5](C[5,5]C[5]2C)(C[5]N[5]N)(C[5]N[5]S)(CNO){1|N<2>,1|S<1>,2|C<4>}	N[5](C[5]C[5,5]N)(C[5]C[5,5]S)(CH3){4|C<3>}	105.4950	0.103	2	105.4950	0.011	2	105.4950	0.011	2	105.4950	0.011	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	3:2:4:3:	3:3:3:	C[5,5]-4:N[5]-3:C-3:	N[5]-3:S[5]-2:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]N[5]S[5])(N[5]C[6a]C[5])(CCC)	C[5,5](N[5]C[5,6a]C)(S[5]C[5,6a])(C[5]C[5]CC)(C[5]N[5]C)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]N)	C[5](C[5,5]C[5]N[5]S[5])(N[5]C[6a]C[5])(CCC){1|N<2>,2|C<4>,5|C<3>}	C[5,5](N[5]C[5,6a]C)(S[5]C[5,6a])(C[5]C[5]CC)(C[5]N[5]C){1|N<2>,3|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]N){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	106.3830	0.000	1	106.3830	0.000	1	106.3830	0.000	1	106.3830	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	3:3:2:2:	3:3:1:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|O<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	108.4930	0.000	1	108.4930	0.000	1	108.4930	0.000	1	108.4930	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	3:3:2:2:	3:3:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:N[5]-3:C-3:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC){3|C<4>,5|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C){1|C<4>,3|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,2|N<3>,3|C<3>}	106.7060	0.000	1	106.7060	0.000	1	106.5810	0.105	3	106.5810	0.105	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:N[5]-3:C-3:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC){1|H<1>,2|C<4>,5|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C){1|H<1>,3|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,2|N<3>,3|C<3>}	106.8240	0.000	1	106.8240	0.000	1	106.5810	0.105	3	106.5810	0.105	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:N[5]-3:C-3:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]N[5]C)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC){1|C<4>,1|N<2>,6|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]N[5]C){1|C<4>,6|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,2|N<3>,3|C<3>}	106.2130	0.000	1	106.2130	0.000	1	106.5810	0.105	3	106.5810	0.105	3	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:C-3:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CH)(C[5]N[5]C)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC){1|H<1>,3|C<4>,5|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CH)(C[5]N[5]C){4|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	105.6320	0.000	1	105.6320	0.000	1	106.2645	0.800	2	106.2645	0.800	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:C-3:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]C)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5,5]C[5]N[5]2)(N[5]C[6a]C[5])(CCC){1|H<1>,1|N<2>,7|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]C){7|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|H<1>}	106.8970	0.000	1	106.8970	0.000	1	106.2645	0.800	2	106.2645	0.800	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	3:4:3:1:	3:2:1:	C[5,5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]O[5]O)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]N[5]C)(H)	N[5](C[5]C[5,5]C)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]O[5]O)(COO){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]N[5]C)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,5]C)(O[5]C[5,5])(O){1|H<1>,3|C<3>}	112.1110	0.000	1	112.1110	0.000	1	112.1110	0.000	1	112.1110	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	4:2:3:1:	3:3:3:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[6a]C[5])(CCH)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[6a]C[5])(CCH){1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|O<1>,3|C<3>}	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(C[6a]C[6a]2){1|O<2>,1|S<2>,3|C<3>,3|H<1>}	107.8240	0.000	1	107.8240	0.000	1	107.8240	0.000	1	107.8240	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	4:2:3:1:	3:3:4:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH){1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	107.9210	0.129	2	107.9210	0.017	2	107.7447	0.102	3	107.7425	0.068	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	4:2:3:1:	3:3:4:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH){1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	107.3920	0.000	1	107.3920	0.000	1	107.7447	0.102	3	107.7425	0.068	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	4:2:3:1:	3:3:4:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:S[5]-2:C[5]-3:H-1:	C[5]-3:C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]2)(CCH)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(C[5]C[5]2H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]2)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a])(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(C[5]C[5]2H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,5|H<1>}	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	107.7425	0.068	4	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	4:3:2:1:	4:3:4:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CHH)	C[5,5](C[5,5]C[5]O[5]C)(C[5]N[5]C)(O[5]C[5])(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(SC[6a]OO)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5]O[5]C)(C[5]N[5]C)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	105.4800	0.000	1	105.4800	0.000	1	105.4800	0.000	1	105.4800	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5,5]-4:N[5]-3:C[5]-3:	C[5]-4:N[5,5,6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(C[5]C[5]2)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H)	N[5](C[5,6]N[5,5,6]C[6,6a]H)(C[5]C[5,5]C[5])(H)	C[5](C[5,5]N[5,5,6]C[5]H)(N[5]C[5,6]H)(C[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H){1|C<4>,3|H<1>,7|C<3>}	N[5](C[5,6]N[5,5,6]C[6,6a]H)(C[5]C[5,5]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	4:3:3:2:	3:3:3:	C[5,5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:N[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]N[5]S[5])(N[5]C[6a]C[5])(CCC)	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(N[5]C[5]C)(S[5]C[5])	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]N)	C[5](C[5,5]C[5]N[5]S[5])(N[5]C[6a]C[5])(CCC){1|N<2>,2|C<4>,5|C<3>}	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(N[5]C[5]C)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]N){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	4:4:3:1:	3:3:1:	C[5,5]-4:C-3:N[5]-3:	C[5,5]-4:C[5]-4:C[5]-3:F-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]F)(CC[6a]C[5])(N[5]C[5]H)	C[5,5](C[5,5]C[5]2F)(C[5]N[5]HH)(C[5]N[5]C)(F)	N[5](C[5]C[5,5]C)2(H)	C[5](C[5,5]C[5,5]C[5]F)(CC[6a]C[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	C[5,5](C[5,5]C[5]2F)(C[5]N[5]HH)(C[5]N[5]C)(F){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5]C[5,5]C)2(H){2|C<4>,2|F<1>}	108.0430	0.049	2	108.0430	0.002	2	108.0430	0.002	2	108.0430	0.002	2	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	4:4:3:1:	3:3:4:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:S[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH)	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a]OO)(C[5]N[5]C)(H)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH){1|O<2>,2|C<3>,3|O<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(S[5]C[5,6a]OO)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:3:	4:4:3:2:	3:3:1:	C[5,5]-4:N[5]-3:C-3:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(CC[6a]Si)	C[5,5](C[5]C[5]HH)2(C[5]N[5]C)(O[5]C[5])	N[5](C[5]C[5,5]C)(C[5]O[5]O)(H)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(CC[6a]Si){1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]C)(O[5]C[5]){1|O<1>,5|H<1>}	N[5](C[5]C[5,5]C)(C[5]O[5]O)(H){2|C<4>}	103.9190	0.000	1	103.9190	0.000	1	103.9190	0.000	1	103.9190	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,5]	N[5]	4:3:4:	4:3:2:1:	4:3:1:	C[5,5]-4:N[5]-3:C-4:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H)	N[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5,5]C)(O){2|H<1>,2|O<2>}	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	107.8680	1.080	1120	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]H)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.0750	0.000	1	108.0750	0.000	1	108.0750	0.000	1	108.0750	0.000	1	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,4|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	108.1960	0.099	2	108.1960	0.010	2	108.1960	0.010	2	108.1960	0.010	2	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CH3)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:3:2:3:	3:3:1:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6a]-3:S[6,6]-2:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[5,6a]C[3x6]S[6,6])(N[5]C[5,6a]H)(O)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[5](C[5,6,6]C[5,6a]C[3x6]S[6,6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(S[6,6]C[3x6])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	106.8160	0.000	1	106.8160	0.000	1	106.8160	0.000	1	106.8160	0.000	1	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:3:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:P[3x6]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]P[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]P[3x6]C[5]H)(P[3x6]C[5,6,6]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]P[3x6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,1|P<3>,4|C<3>}	C[5,6,6](C[5,6,6]P[3x6]C[5]H)(P[3x6]C[5,6,6]2)(C[5]N[5]O)(H){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|P<3>,4|H<1>}	108.4790	0.521	4	108.4790	0.272	4	108.4790	0.272	4	108.4790	0.272	4	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,3x6]-4:C[5]-3:H-1:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,3x6]H)(O)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]N[5]O)(H)	N[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5,6,6]O)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,3x6]H)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5]C[5,6,6]O)(H){2|C<3>,3|C<4>,4|H<1>}	106.0950	0.000	1	106.0950	0.000	1	106.0950	0.000	1	106.0950	0.000	1	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:3:4:3:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6,6](C[3x6]C[6,6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CC[6a]HH)	C[5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6,6](C[3x6]C[6,6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]CH)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	N[5](C[5]C[5,6,6]O)2(H){2|C<4>,2|H<1>}	108.5860	0.000	1	108.0705	0.531	2	108.0705	0.531	2	108.2904	0.141	14	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[5]C[5,6,6]O)2(H){2|C<4>,2|H<1>}	107.5550	0.000	1	108.0705	0.531	2	108.0705	0.531	2	108.2904	0.141	14	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6,6]O)2(H){2|C<4>,2|H<1>}	108.3090	0.338	10	108.3090	0.114	10	108.3271	0.108	12	108.2904	0.141	14	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5](C[5]C[5,6,6]O)2(H){2|C<4>,2|H<1>}	108.4175	0.368	2	108.4175	0.136	2	108.3271	0.108	12	108.2904	0.141	14	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:2:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:N-2:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]N)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(NC)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]N)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6,6]O)2(NC){2|C<4>,2|H<1>}	108.5258	0.327	4	108.5258	0.107	4	108.5258	0.107	4	108.0143	0.854	6	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:2:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]O)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(OH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]O)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5,6,6]O)2(OH){2|C<4>,2|H<1>}	106.9915	0.900	2	106.9915	0.810	2	106.9915	0.810	2	108.0143	0.854	6	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4490	0.051	2	108.4490	0.003	2	108.2726	0.328	28	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[3x6]C[3x6]C[6,6]H)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.7250	0.000	1	108.7250	0.000	1	108.2726	0.328	28	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[3x6]C[5,3x6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5235	0.138	2	108.5235	0.019	2	108.2726	0.328	28	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.2590	0.941	8	108.2590	0.886	8	108.2726	0.328	28	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.7060	0.100	2	108.7060	0.010	2	108.2726	0.328	28	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	107.9703	0.182	10	107.9703	0.033	10	108.2726	0.328	28	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4120	0.000	1	108.4120	0.000	1	108.2726	0.328	28	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.2970	0.000	1	108.2970	0.000	1	108.2726	0.328	28	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[3x6]Si[6,6]C[6,6]H)(C[5,6,6]C[5x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|Si<4>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6,6](C[3x6]Si[6,6]C[6,6]H)(C[5,6,6]C[5x6]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	109.0680	0.000	1	109.0680	0.000	1	108.2726	0.328	28	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[4x6]C[4x6]C[6,6]Si[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[6a]C[5])(O){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6,6](C[4x6]C[4x6]C[6,6]Si[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6,6]O)2	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6,6]O)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	108.0970	0.000	1	108.0970	0.000	1	108.0970	0.000	1	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.9875	0.203	2	107.9875	0.041	2	108.0687	0.040	3	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.2310	0.000	1	108.2310	0.000	1	108.0687	0.040	3	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6]C[6]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	108.6300	0.204	2	108.6300	0.041	2	108.6300	0.041	2	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[5,6,6]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	107.3155	0.133	4	107.3155	0.018	4	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2Br)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2Br)(C[5]N[5]O)(H){1|Br<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4060	0.165	2	108.4060	0.027	2	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	107.7890	0.000	1	108.4170	0.789	2	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	109.0450	0.000	1	108.4170	0.789	2	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.1030	0.000	1	108.3219	0.164	68	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	108.3190	0.144	6	108.3219	0.164	68	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	108.2526	0.490	18	108.3219	0.164	68	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	108.1082	0.584	6	108.3219	0.164	68	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	107.9958	0.522	4	108.3219	0.164	68	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5514	0.248	20	108.3219	0.164	68	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	108.3422	0.274	10	108.3219	0.164	68	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	108.5880	0.000	1	108.3219	0.164	68	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,1|P<2>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.7930	0.000	1	108.3219	0.164	68	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,6|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	107.8650	0.000	1	108.3219	0.164	68	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	109.0040	0.000	1	108.8287	0.041	3	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2O)(C[5]N[5]O)(H){1|O<1>,1|O<2>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.7410	0.188	2	108.8287	0.041	3	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|P<2>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2P)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.8020	0.000	1	107.8020	0.000	1	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	109.5770	0.000	1	109.5770	0.000	1	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4840	0.000	1	108.3730	0.116	5	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.2875	0.127	2	108.3730	0.116	5	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4030	0.648	2	108.3730	0.116	5	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.8680	0.000	1	107.8680	0.000	1	108.3034	0.225	87	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]N)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(NCC)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]N)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6,6]O)2(NCC){2|C<4>,2|H<1>}	107.2980	0.106	2	107.2980	0.011	2	107.2980	0.011	2	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	108.2898	0.268	6	108.2898	0.072	6	108.2465	0.054	11	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6,6]O)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6,6]O)2{2|C<4>,3|C<3>,3|H<1>}	108.3535	0.168	2	108.3535	0.028	2	108.2465	0.054	11	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6,6]O)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6,6]O)2{2|C<3>,2|H<1>,3|C<4>}	108.1615	0.111	2	108.1615	0.012	2	108.2465	0.054	11	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6,6]O)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6,6]O)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	107.9430	0.000	1	107.9430	0.000	1	108.2465	0.054	11	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[5x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,6,6]C[5x6]H)(N[5]C[6a]C[5])(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5x6]C[3x6]2C[6,6])(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[5x6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5x6]C[3x6]2C[6,6])(C[5]N[5]O)(H){1|Si<4>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	108.2867	0.241	136	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CCHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	108.5200	0.000	1	108.5750	0.006	2	108.4239	0.071	19	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CCHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[4,6,6]C[3x6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	108.6300	0.000	1	108.5750	0.006	2	108.4239	0.071	19	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CC[6]HH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6,6]O)2(CC[6]HH){2|C<4>,2|H<1>}	108.4875	0.344	4	108.4875	0.118	4	108.4239	0.071	19	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CCHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	108.2715	0.111	2	108.2715	0.012	2	108.4239	0.071	19	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	108.1815	0.073	2	108.3752	0.053	4	108.4239	0.071	19	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6,6](C[3x6]C[6,6,6a]2C[5])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|Fe<10>,1|O<1>,4|C<3>,4|C<4>}	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	108.5690	0.061	2	108.3752	0.053	4	108.4239	0.071	19	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|W<7>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	108.7710	0.085	2	108.7710	0.007	2	108.4239	0.071	19	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6,6](C[3x6]C[6,6]N[6,6]C)(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	108.2736	0.261	5	108.2736	0.068	5	108.4239	0.071	19	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CCHH)	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6,6](C[4x6]C[3x6]C[6,6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	108.6910	0.000	1	108.6910	0.000	1	108.8263	0.015	3	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[4x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CCHH)	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[5,6,6]C[3x6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	108.8940	0.048	2	108.8940	0.002	2	108.8263	0.015	3	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CCHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	108.5070	0.000	1	108.5070	0.000	1	108.6228	0.181	27	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	108.4744	0.164	5	108.4744	0.027	5	108.6228	0.181	27	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CCHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	108.8360	0.000	1	108.8360	0.000	1	108.6228	0.181	27	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	108.5579	0.143	7	108.5579	0.021	7	108.6228	0.181	27	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	108.5953	0.210	4	108.6954	0.137	9	108.6228	0.181	27	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,1|W<7>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	108.9790	0.751	2	108.6954	0.137	9	108.6228	0.181	27	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	108.3250	0.000	1	108.6954	0.137	9	108.6228	0.181	27	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	108.6590	0.000	1	108.6954	0.137	9	108.6228	0.181	27	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|O<1>,3|C<4>,5|H<1>}	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	108.9360	0.000	1	108.6954	0.137	9	108.6228	0.181	27	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|W<7>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	108.0400	0.382	2	108.2663	0.227	3	108.6228	0.181	27	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2O)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6,6]O)2(CH3){2|C<4>,2|H<1>}	108.7190	0.000	1	108.2663	0.227	3	108.6228	0.181	27	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]O)2(CCHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[4x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6,6]O)2(CCHH){2|C<4>,2|H<1>}	110.1380	0.000	1	110.1380	0.000	1	108.6228	0.181	27	108.5581	0.139	49	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]CO)(C[5]C[5,6,6]O)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2C)(C[5]N[5]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5](C[5]C[5,6,6]CO)(C[5]C[5,6,6]O)(CH3){2|C<4>,2|H<1>}	109.4315	0.327	2	109.4315	0.107	2	109.3660	0.190	5	109.3660	0.190	5	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CC[6a]HH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(C[5]N[5]O)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	108.6710	0.000	1	108.6710	0.000	1	109.3660	0.190	5	109.3660	0.190	5	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]N[5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CH3){2|C<4>,2|H<1>}	109.6480	0.020	2	109.6480	0.000	2	109.3660	0.190	5	109.3660	0.190	5	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:3:	3:4:1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[6,6]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(N[5]C[5]H)(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O)	N[5](C[5]C[5,6,6]O)(C[5]C[5,6]CH)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(N[5]C[5]H)(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	N[5](C[5]C[5,6,6]O)(C[5]C[5,6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:4:	4:3:4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[5]-3:C-4:	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(N[5]C[5,6,6]C)(O)	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(C[5]N[5]O)(CCHH)	N[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(CCHH)	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(N[5]C[5,6,6]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(C[5]N[5]O)(CCHH){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(CCHH){2|C<3>,2|H<1>,3|C<4>}	106.9260	0.000	1	106.9260	0.000	1	106.9260	0.000	1	106.9260	0.000	1	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:4:3:	3:4:1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6,6])(N[5]C[5]H)(O)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]N[5]O)	N[5](C[5]C[5,6,6]O)(C[5]C[5,6]CH)(H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6,6])(N[5]C[5]H)(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]N[5]O){1|C<3>,5|C<4>,9|H<1>}	N[5](C[5]C[5,6,6]O)(C[5]C[5,6]CH)(H){1|H<1>,3|C<4>}	109.9470	0.639	4	109.9470	0.408	4	109.9470	0.408	4	109.8064	0.405	5	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:4:3:	3:4:1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6,6]C[5,6]2C[6,6])(N[5]C[5]H)(O)	C[5,6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)	N[5](C[5]C[5,6,6]O)(C[5]C[5,6]CH)(H)	C[5](C[5,6,6]C[5,6]2C[6,6])(N[5]C[5]H)(O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6]O[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O){2|C<3>,4|C<4>,7|H<1>}	N[5](C[5]C[5,6,6]O)(C[5]C[5,6]CH)(H){1|H<1>,3|C<4>}	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	109.8064	0.405	5	108.3705	0.343	229	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5,5]	3:4:1:	4:3:3:1:	4:3:4:	N[5,5]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:	C[5](N[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]N[5,5]O)(C[6]C[6]O)(H)	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH)	C[5](N[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]C[6]H)(O){1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]N[5,5]O)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,8|H<1>}	105.6800	0.000	1	105.6800	0.000	1	105.6800	0.000	1	105.6800	0.000	1	108.0998	3.483	5	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5,5]	3:4:1:	4:3:4:4:	3:4:3:	N[5,5]-3:C[5,6]-4:O-1:	C[5]-4:C[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6]C[6]HH)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(O){2|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6]C[6]HH)2{2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]O){2|C<3>,2|C<4>,5|H<1>}	107.4200	0.051	2	107.4200	0.003	2	107.4200	0.003	2	107.4200	0.003	2	108.0998	3.483	5	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5,5]	4:3:1:	4:4:3:3:	4:3:4:	C[5,6]-4:N[5,5]-3:O-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH)	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH){1|O<1>,2|C<4>,2|H<1>}	109.9340	0.000	1	109.9340	0.000	1	109.9895	0.006	2	109.9895	0.006	2	108.0998	3.483	5	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5,5]	4:3:1:	4:4:3:3:	4:3:4:	C[5,6]-4:N[5,5]-3:O-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]S[5]CH)	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|O<1>,1|O<3>,1|S<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]O[6,6]C[6]H)(C[6]C[6,6]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]S[5]CH){1|O<1>,2|C<4>,2|H<1>}	110.0450	0.000	1	110.0450	0.000	1	109.9895	0.006	2	109.9895	0.006	2	108.0998	3.483	5	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5,6]	3:4:1:	3:3:4:4:	3:3:4:	N[5,6]-3:C[5,6]-4:O-1:	C[5]-3:C[5]-3:C[6]-4:C[6]-4:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(O){2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5]C[5,6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	107.3964	0.169	11	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5,6]	3:4:1:	3:4:3:4:	3:3:3:	N[5,6]-3:C[5,6]-4:O-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]C[5,6]O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]C[5,6]O){2|C<4>,2|H<1>,4|C<3>}	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.3964	0.169	11	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5,6]	3:4:1:	4:3:3:4:	3:3:3:	N[5,6]-3:C[5,6]-4:O-1:	C[6]-4:C[5,6]-3:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]C[5,6]O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]C[5,6]O){2|C<4>,2|H<1>,4|C<3>}	107.2460	0.000	1	107.2460	0.000	1	107.2460	0.000	1	107.2460	0.000	1	107.3964	0.169	11	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5,6]	3:4:1:	4:4:3:1:	3:4:3:	N[5,6]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5,6]O)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]C[5,6]O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5,6]O)(H){1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]C[5,6]O){3|C<3>,3|C<4>,3|H<1>}	106.7780	0.000	1	106.7780	0.000	1	106.7780	0.000	1	106.7780	0.000	1	107.3964	0.169	11	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5,6]	4:3:1:	4:3:4:1:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(O){1|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	107.7830	0.178	2	107.7830	0.032	2	107.7467	0.030	4	107.7467	0.030	4	107.3964	0.169	11	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5,6]	4:3:1:	4:3:4:1:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(O){1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	107.7105	0.227	2	107.7105	0.052	2	107.7467	0.030	4	107.7467	0.030	4	107.3964	0.169	11	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5,6]	4:3:1:	4:3:4:2:	4:3:4:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:S-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6]S)(N[5,6]C[5,6]C[6])(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]HH)(SC)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6]S)(N[5,6]C[5,6]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]N[5,6]O)(C[6]C[6]HH)(SC){1|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	107.1660	0.413	3	107.1660	0.170	3	107.1660	0.170	3	107.1660	0.170	3	107.3964	0.169	11	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	2:4:3:2:	4:3:3:	C[5,6]-4:N[5]-3:O-1:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]O[5,6]C[6]O)(N[5]C[5,6]C[6a])(O)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH)	N[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]O[5,6]C[6]O)(N[5]C[5,6]C[6a])(O){2|C<3>,2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	106.1170	0.195	2	106.1170	0.038	2	106.1170	0.038	2	106.1170	0.038	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:2:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:O[6]-2:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]N[6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(O[6]C[6,6a])(C[6]N[6]HH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.1530	0.000	1	107.1530	0.000	1	107.1530	0.000	1	107.1530	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:2:2:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:O[6]-2:O[6]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]O[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]O[6]2)(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])2{1|C<4>,2|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|O<2>}	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:2:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:2:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(O)	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	104.7070	0.000	1	104.7070	0.000	1	104.6785	0.002	2	105.1633	0.706	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:2:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(O)	C[5,6](C[5]N[5]O)(C[6]C[6]H)2(N[5]C[5])	N[5](C[5]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	C[5,6](C[5]N[5]O)(C[6]C[6]H)2(N[5]C[5]){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	104.6500	0.000	1	104.6500	0.000	1	104.6785	0.002	2	105.1633	0.706	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:2:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	N[6]-3:N[6]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6]N[6]2O[5])(N[5]C[6a]C[5])(O)	C[5,6](N[6]C[6a]C[6])2(C[5]N[5]O)(O[5]C[5])	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]N)	C[5](C[5,6]N[6]2O[5])(N[5]C[6a]C[5])(O){1|N<2>,6|C<3>}	C[5,6](N[6]C[6a]C[6])2(C[5]N[5]O)(O[5]C[5]){1|C<4>,1|N<2>,2|O<1>,5|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]N){2|C<3>,2|H<1>,2|N<3>}	106.1330	0.000	1	106.1330	0.000	1	106.1330	0.000	1	105.1633	0.706	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:N[6]-3:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6a]N[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[5]N[5]O)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.9320	0.000	1	107.9320	0.000	1	107.9320	0.000	1	107.2820	0.845	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	N[5a,6]-3:C[5,6a]-3:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]N[5a,6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]N[5a,6]O[6])(N[5]C[5,6a]C)(O){5|C<3>}	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	107.2820	0.845	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:2:4:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[6]-3:C[5]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(N[5]C[5])(CH3)	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5]C)(O){1|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5]C[5,6]O)(N[5]C[5])(CH3){1|C<4>,2|C<3>}	105.7115	0.162	2	105.7115	0.026	2	105.7115	0.026	2	105.7115	0.026	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,1|S<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	107.8600	0.000	1	107.8600	0.000	1	107.8600	0.000	1	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	107.7655	0.050	2	108.1778	0.267	6	108.1778	0.267	6	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{2|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	107.6560	0.000	1	108.1778	0.267	6	108.1778	0.267	6	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	108.4960	0.000	1	108.1778	0.267	6	108.1778	0.267	6	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|N<3>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	108.9030	0.000	1	108.1778	0.267	6	108.1778	0.267	6	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	108.4810	0.000	1	108.1778	0.267	6	108.1778	0.267	6	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	107.8354	0.731	5	107.8354	0.535	5	107.8354	0.535	5	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	107.8743	0.338	4	108.0908	0.225	6	108.0908	0.225	6	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	108.5240	0.465	2	108.0908	0.225	6	108.0908	0.225	6	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	107.9015	0.400	2	108.0403	0.138	3	108.0302	0.092	4	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	108.3180	0.000	1	108.0403	0.138	3	108.0302	0.092	4	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,1|S<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	108.0000	0.000	1	108.0000	0.000	1	108.0302	0.092	4	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	108.3900	0.000	1	108.2430	0.043	2	108.2430	0.043	2	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	108.0960	0.000	1	108.2430	0.043	2	108.2430	0.043	2	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6,6a]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6,6a]2)(N[5]C[5,6a]H)(O){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	107.6933	0.255	4	107.6933	0.065	4	107.6933	0.065	4	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|N<3>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	108.4235	0.271	4	108.4235	0.073	4	108.4235	0.073	4	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5,6]C[5a,6]C[5,6]C[6])(N[5]C[5,6]H)(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5a,6]C[5,6]C[6])(N[5]C[5,6]H)(O){2|C<2>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(H){1|C<2>,1|H<1>,3|C<3>}	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	N[5a,6]-3:C[5,6a]-3:C[6,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<3>}	107.4215	0.194	2	107.4215	0.038	2	107.4215	0.038	2	108.0323	0.233	35	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[5]-3:C[6]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|N<3>,6|C<3>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	105.4770	0.420	2	105.4770	0.176	2	105.4770	0.176	2	105.4888	0.294	5	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[6]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]C[6a]N[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,5|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	104.7760	0.000	1	104.7760	0.000	1	104.7760	0.000	1	105.4888	0.294	5	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,5|C<3>}	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	105.8570	0.471	2	105.8570	0.222	2	105.8570	0.222	2	105.4888	0.294	5	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]2)(N[5]C[5,6]C[6a])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6]2)(N[5]C[5,6]C[6a])(O){1|C<4>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6]C[5,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	106.5530	0.000	1	106.5530	0.000	1	106.5530	0.000	1	106.5530	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|Cl<1>,4|C<3>}	108.6630	0.000	1	108.6630	0.000	1	108.4880	0.061	2	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	108.3130	0.000	1	108.3130	0.000	1	108.4880	0.061	2	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]C)(O){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|O<1>,3|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	108.3340	0.031	2	108.3340	0.001	2	108.3340	0.001	2	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	108.0990	0.666	2	108.0990	0.444	2	108.1795	0.236	4	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|H<1>,4|C<3>}	108.6060	0.000	1	108.6060	0.000	1	108.1795	0.236	4	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	107.9140	0.000	1	107.9140	0.000	1	108.1795	0.236	4	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	109.0080	0.000	1	109.0080	0.000	1	109.0080	0.000	1	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)(N[6]C[6]O){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	108.2310	0.000	1	108.2310	0.000	1	108.2310	0.000	1	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	107.7530	0.000	1	107.7530	0.000	1	107.9807	0.039	3	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3){1|H<1>,4|C<3>}	108.0945	0.019	2	108.0945	0.000	2	107.9807	0.039	3	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	108.4630	0.000	1	108.4630	0.000	1	107.5898	0.749	5	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|F<1>,4|C<3>}	107.9350	0.000	1	107.3715	0.681	4	107.5898	0.749	5	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	107.1837	0.900	3	107.3715	0.681	4	107.5898	0.749	5	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:N[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5a,6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[5a,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	108.1450	0.000	1	108.1450	0.000	1	108.1450	0.000	1	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	107.1860	0.569	2	107.1860	0.323	2	107.7889	0.341	7	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	107.6550	0.412	2	107.6550	0.169	2	107.7889	0.341	7	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	108.4660	0.000	1	108.3735	0.017	2	107.7889	0.341	7	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	108.2810	0.000	1	108.3735	0.017	2	107.7889	0.341	7	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	108.0930	0.000	1	108.0930	0.000	1	107.7889	0.341	7	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[5]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6,6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	107.4780	0.000	1	107.4780	0.000	1	107.4780	0.000	1	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	108.5685	0.473	2	108.7443	0.205	3	108.5398	0.195	5	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	109.0960	0.000	1	108.7443	0.205	3	108.5398	0.195	5	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,4|C<3>}	108.2330	0.238	2	108.2330	0.056	2	108.5398	0.195	5	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,4|C<3>}	107.8730	0.000	1	107.8730	0.000	1	107.8013	0.025	3	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	107.7655	0.206	2	107.7655	0.042	2	107.8013	0.025	3	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:N[6]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5]-3:C[6]-3:N[5]-3:N[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O)	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3)	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,2|N<3>,2|O<1>}	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H){1|C<3>,1|O<1>,3|C<4>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	106.2030	0.000	1	106.2030	0.000	1	106.2030	0.000	1	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6a])(N[5]C[5,6a]C)(O){6|C<3>}	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	107.9795	0.168	2	107.9795	0.028	2	107.9795	0.028	2	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,4|C<3>}	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	N[5a,6]-3:C[5,6a]-3:C[5]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]N[5a,6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]N[5a,6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,2|C<4>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|N<3>}	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	N[6]-3:C[5]-3:C[6]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O)	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3)	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	106.8120	0.000	1	106.8120	0.000	1	106.8120	0.000	1	107.9707	0.422	44	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:3:4:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6]-3:C[5]-3:C-4:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5a,6]C[5,6]C)(N[5]C[6a]N[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](C[5,6]C[5a,6]C[5,6]C)(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	105.9390	0.000	1	105.9390	0.000	1	105.9390	0.000	1	105.9390	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	107.7080	0.140	2	107.7080	0.020	2	107.7080	0.020	2	108.0975	0.245	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,2|C<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	108.0975	0.245	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	107.6160	0.000	1	107.6160	0.000	1	107.6160	0.000	1	108.0975	0.245	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	108.1590	0.000	1	108.1590	0.000	1	108.4960	0.091	3	108.0975	0.245	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	108.6645	0.107	2	108.6645	0.011	2	108.4960	0.091	3	108.0975	0.245	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	108.6300	0.000	1	108.6300	0.000	1	108.6300	0.000	1	108.0975	0.245	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	105.9810	0.000	1	105.9810	0.000	1	106.1430	0.052	2	106.1430	0.052	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	106.3050	0.000	1	106.3050	0.000	1	106.1430	0.052	2	106.1430	0.052	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|C<4>,1|H<1>,3|C<3>}	106.6780	0.000	1	106.6780	0.000	1	106.6780	0.000	1	106.6780	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5a,6]C[5,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[5a,6]C[5,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O){2|C<4>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(C[5]N[5]O){2|H<1>,4|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.1580	0.000	1	108.1580	0.000	1	108.0370	0.296	7	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O){2|H<1>,4|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.0710	0.000	1	107.4110	0.231	2	108.0370	0.296	7	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O){3|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.7510	0.000	1	107.4110	0.231	2	108.0370	0.296	7	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(C[5]N[5]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.3197	0.376	4	108.3197	0.141	4	108.0370	0.296	7	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.9120	0.000	2	107.9120	0.000	2	107.9120	0.000	2	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	108.2270	0.165	3	108.2270	0.027	3	108.0028	0.124	5	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.6665	0.258	2	107.6665	0.067	2	108.0028	0.124	5	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.1070	0.000	1	108.1070	0.000	1	108.2366	0.045	5	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,4|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.2660	0.282	3	108.2660	0.079	3	108.2366	0.045	5	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,4|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.2780	0.000	1	108.2780	0.000	1	108.2366	0.045	5	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]H)(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.9145	1.479	2	107.9145	2.186	2	107.9145	2.186	2	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	107.8635	0.250	4	107.8635	0.062	4	107.7838	0.061	9	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.5250	0.191	2	107.5250	0.036	2	107.7838	0.061	9	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.6770	0.000	1	107.6770	0.000	1	107.7838	0.061	9	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:N[5a,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]N[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.9365	0.216	2	107.9365	0.047	2	107.7838	0.061	9	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4080	0.000	1	107.9340	0.553	2	108.0316	0.317	9	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)(C[5]N[5]O){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.4600	0.000	1	107.9340	0.553	2	108.0316	0.317	9	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]N[6])(C[6]C[6,6]CH)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.2343	0.733	4	108.2343	0.538	4	108.0316	0.317	9	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:N[6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]O[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8263	0.170	3	107.8263	0.029	3	108.0316	0.317	9	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6,6a]2C[5,6])(N[5]C[5]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)	N[5](C[5]C[5,6]O)2(CC[6a]CH)	C[5](C[5,6]C[6,6a]2C[5,6])(N[5]C[5]C)(O){1|O<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5,6]C[6,6a]2C[5])(C[5]N[5]O){1|O<1>,2|C<4>,2|H<1>,8|C<3>}	N[5](C[5]C[5,6]O)2(CC[6a]CH){4|C<3>}	109.6790	0.332	2	109.6790	0.110	2	109.6790	0.110	2	108.0681	0.341	42	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:2:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:O[6]-2:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(O[6]C[6,6])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(O[6]C[6,6])(C[5]N[5]O){2|C<3>,2|N<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.4220	0.450	2	107.4220	0.202	2	107.4220	0.202	2	107.4220	0.202	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[5]H)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(H){1|C<3>,1|C<4>,2|H<1>}	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	106.3490	0.000	1	106.3490	0.000	1	107.4847	0.576	10	107.6260	0.569	20	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	106.2620	0.000	1	106.2620	0.000	1	107.4847	0.576	10	107.6260	0.569	20	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.1105	0.016	2	107.8077	0.276	7	107.4847	0.576	10	107.6260	0.569	20	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	106.9700	0.000	1	107.8077	0.276	7	107.4847	0.576	10	107.6260	0.569	20	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.5530	0.000	1	107.8077	0.276	7	107.4847	0.576	10	107.6260	0.569	20	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.9700	0.561	3	107.8077	0.276	7	107.4847	0.576	10	107.6260	0.569	20	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.5820	0.000	1	107.5820	0.000	1	107.4847	0.576	10	107.6260	0.569	20	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>,2|O<2>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.4823	0.897	3	107.6953	0.717	4	107.6953	0.717	4	107.6260	0.569	20	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.3340	0.000	1	107.6953	0.717	4	107.6953	0.717	4	107.6260	0.569	20	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.3680	1.403	2	107.3680	1.968	2	107.8152	0.610	6	107.6260	0.569	20	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	107.4870	0.000	1	107.7470	0.135	2	107.8152	0.610	6	107.6260	0.569	20	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.0070	0.000	1	107.7470	0.135	2	107.8152	0.610	6	107.6260	0.569	20	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.3305	0.076	2	108.3305	0.006	2	107.8152	0.610	6	107.6260	0.569	20	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6,6a]C[5,6]H)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[5]2)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6,6a]C[5,6]H)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[5]2)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	107.2965	0.128	2	107.2965	0.016	2	107.2965	0.016	2	108.0870	0.558	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5a,6]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	107.8780	0.000	1	107.8780	0.000	1	107.8780	0.000	1	108.0870	0.558	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	108.0870	0.558	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CC[6a]HH)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	108.7330	0.571	2	108.7330	0.326	2	108.8837	0.231	3	108.0870	0.558	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	109.1850	0.000	1	109.1850	0.000	1	108.8837	0.231	3	108.0870	0.558	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CCHH)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CCHH){1|H<1>,2|C<4>}	107.6340	0.000	1	107.6340	0.000	1	107.6340	0.000	1	108.0870	0.558	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]H)(O){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.1940	0.000	1	107.1940	0.000	1	107.1940	0.000	1	107.4110	0.200	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:S[6]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]S[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(S[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]S[6])(N[5]C[5,6a]H)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(S[6]C[6]){1|Br<1>,1|C<4>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	107.5195	0.573	2	107.5195	0.329	2	107.5195	0.329	2	107.4110	0.200	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6,6a]C[5,6]O)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6,6a]C[5,6]O)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,5]C[5,6]C)(C[5]N[5]O)(OSi){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.3737	0.123	3	107.3737	0.015	3	107.3737	0.015	3	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(N[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5,6]O[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(O[6]C[6]){1|Br<1>,3|C<3>,3|H<1>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	107.5970	0.288	2	107.5970	0.083	2	107.5970	0.083	2	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.5130	0.000	1	107.5130	0.000	1	107.7657	0.161	17	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	106.6080	0.000	1	107.1395	0.565	2	107.7657	0.161	17	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6710	0.000	1	107.1395	0.565	2	107.7657	0.161	17	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6010	0.000	1	107.6010	0.000	1	107.7657	0.161	17	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.0730	0.000	1	107.7243	0.104	3	107.7657	0.161	17	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.4370	0.000	1	107.7243	0.104	3	107.7657	0.161	17	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6630	0.000	1	107.7243	0.104	3	107.7657	0.161	17	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.7163	0.132	3	107.9727	0.086	7	107.7657	0.161	17	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){2|H<1>,3|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.9800	0.000	1	107.9727	0.086	7	107.7657	0.161	17	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.3500	0.042	2	107.9727	0.086	7	107.7657	0.161	17	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.9800	0.000	1	107.9727	0.086	7	107.7657	0.161	17	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HN)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HN)(C[5]N[5]O)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.9285	0.227	2	107.9285	0.052	2	107.7657	0.161	17	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[5]N[5]O)(O[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[5]N[5]O)(O[6]C[6]){1|C<4>,5|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.7850	0.000	1	107.7850	0.000	1	107.7657	0.161	17	107.7285	0.152	24	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	4:3:1:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[6,6a]C[5,6]O)(N[5]C[5,6]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[6,6a]C[5,6]O)(N[5]C[5,6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(H){2|C<3>,2|O<2>,3|H<1>}	106.0110	0.000	1	106.0110	0.000	1	106.0110	0.000	1	106.0110	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:2:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	N[6,6]-3:C[5,6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]N[6,6]O)(N[5]C[5]C)(O)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]N[6,6]O)(N[5]C[5]C)(O){1|C<3>,2|C<4>,3|H<1>}	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	107.7540	0.055	2	107.7540	0.003	2	107.7540	0.003	2	107.4046	0.242	5	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	107.4630	0.000	1	107.4630	0.000	1	107.4760	0.000	2	107.4046	0.242	5	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	107.4890	0.000	1	107.4890	0.000	1	107.4760	0.000	2	107.4046	0.242	5	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6,6a]C[6]N[5])(N[5]C[5]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(H)	C[5](C[5,6]C[6,6a]C[6]N[5])(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	106.5630	0.000	1	106.5630	0.000	1	106.5630	0.000	1	107.4046	0.242	5	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	105.3160	0.000	1	105.3160	0.000	1	105.3160	0.000	1	105.3160	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5]N[5]O)(C[6]C[6]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|C<4>,1|H<1>,3|C<3>}	107.8050	0.000	1	107.8050	0.000	1	108.4130	0.289	3	108.4130	0.289	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	108.6100	0.000	1	108.6100	0.000	1	108.4130	0.289	3	108.4130	0.289	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|C<4>,1|H<1>,3|C<3>}	108.8240	0.000	1	108.8240	0.000	1	108.4130	0.289	3	108.4130	0.289	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO){1|C<4>,1|N<2>,3|C<3>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.1720	0.000	1	107.3815	0.088	2	107.3815	0.088	2	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6,6a]C[6]C)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(COO){1|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.5910	0.000	1	107.3815	0.088	2	107.3815	0.088	2	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.0240	0.000	1	108.0240	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.3790	0.000	1	108.3790	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.9620	0.000	1	107.9620	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	108.0170	0.000	1	108.0170	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.9740	0.308	6	107.9740	0.095	6	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.3750	0.000	1	107.3750	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)(C[6]C[6]H){2|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.3920	0.000	1	108.3920	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	108.3300	0.000	1	108.3300	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.7680	0.000	1	107.7680	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.3190	0.000	1	108.3190	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.3170	0.000	1	108.3170	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.0643	0.414	3	108.2412	0.600	5	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.5520	0.000	1	108.2412	0.600	5	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	109.4610	0.000	1	108.2412	0.600	5	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.6980	0.000	1	107.6980	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.5380	0.000	1	108.5380	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.9910	0.000	1	107.9910	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HS)(C[5]N[5]O)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HS)(C[5]N[5]O)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	109.2130	0.000	1	109.2130	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.0890	0.000	1	108.0890	0.000	1	108.1332	0.225	26	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.0730	0.000	1	109.0730	0.000	1	108.5183	0.531	6	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.8360	0.000	1	108.8360	0.000	1	108.5183	0.531	6	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.6070	0.000	1	108.6070	0.000	1	108.5183	0.531	6	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|F<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.8360	0.000	1	108.7640	0.010	2	108.5183	0.531	6	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CO)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.6920	0.000	1	108.7640	0.010	2	108.5183	0.531	6	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(N[6]C[6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.0660	0.000	1	107.0660	0.000	1	108.5183	0.531	6	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.0375	0.175	2	108.0375	0.031	2	108.0375	0.031	2	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6,6a]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(C[6]C[6]H)	N[5](C[5]C[5,6]O)2(CC[6a]CH)	C[5](C[5,6]C[6,6a]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	N[5](C[5]C[5,6]O)2(CC[6a]CH){4|C<3>}	109.1640	0.000	1	109.1640	0.000	1	109.1640	0.000	1	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	N[5,6]-3:C[6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]N[5,6]C[6]2)(N[5]C[5]C)(O)	C[5,6](N[5,6]C[5]N[6])(C[6]C[6]2H)(C[5]N[5]O)(C[6]C[6]H)	N[5](C[5]C[5,6]O)(C[5]N[5,6]N)(CC[6a]HH)	C[5](C[5,6]N[5,6]C[6]2)(N[5]C[5]C)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5]N[6])(C[6]C[6]2H)(C[5]N[5]O)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5,6]N)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	108.1789	0.309	38	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:4:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCHH)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	108.2480	0.000	1	108.2480	0.000	1	108.2480	0.000	1	108.2475	0.000	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:3:	3:4:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-3:C[5]-4:C[5]-3:N[6]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH)	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH){1|C<3>,1|N<3>,2|H<1>}	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	108.2475	0.000	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:4:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3)	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	106.9320	0.000	1	106.9320	0.000	1	106.9320	0.000	1	106.9320	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:4:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	N[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]N[5,6]C[6]C)(N[5]C[5]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CCHH)	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CC[6a]HH)	C[5](C[5,6]N[5,6]C[6]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5,6]O)(CC[6a]HH){3|C<4>}	107.2460	0.000	1	107.2460	0.000	1	107.2460	0.000	1	107.2460	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:3:4:	4:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6]C[6,6a]C[5,6]C)(N[5]C[5,6]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]N[5]O)(CH3)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[6,6a]C[5,6]C)(N[5]C[5,6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO){1|C<4>,2|C<3>,4|H<1>}	106.5080	0.000	1	106.5080	0.000	1	106.5080	0.000	1	106.5080	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){2|C<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	106.9880	0.000	1	106.9880	0.000	1	107.7255	0.351	6	107.7255	0.351	6	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]CO)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]CO)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.2340	0.000	1	108.2340	0.000	1	107.7255	0.351	6	107.7255	0.351	6	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HO)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HO)(C[5]N[5]O){4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|Br<1>,2|C<3>,2|C<4>}	107.6970	0.000	1	107.6970	0.000	1	107.7255	0.351	6	107.7255	0.351	6	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]O[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]O[6]CH)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.0760	0.000	1	107.0760	0.000	1	107.7255	0.351	6	107.7255	0.351	6	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O){4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.9350	0.000	1	107.9350	0.000	1	107.7255	0.351	6	107.7255	0.351	6	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,5|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.4230	0.000	1	108.4230	0.000	1	107.7255	0.351	6	107.7255	0.351	6	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHO)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O){4|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHO){1|H<1>,2|C<3>,2|C<4>}	107.5725	0.295	2	107.5725	0.087	2	107.7207	0.109	3	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]O){2|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	108.0170	0.000	1	108.0170	0.000	1	107.7207	0.109	3	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	107.6220	0.000	1	107.6220	0.000	1	107.8904	0.319	5	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	108.3435	0.606	2	108.3435	0.367	2	107.8904	0.319	5	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	107.9040	0.000	1	107.9040	0.000	1	107.8904	0.319	5	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]3)(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]3)(C[6]C[6]CH)(C[5]N[5]O){2|C<4>,4|C<3>,9|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.2390	0.000	1	107.2390	0.000	1	107.8904	0.319	5	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O){1|O<2>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	108.6020	0.000	1	108.6020	0.000	1	108.2585	0.537	18	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CH)(C[5]N[5]O){3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	108.2980	1.103	4	108.2980	1.217	4	108.2585	0.537	18	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O){1|H<1>,1|S<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	108.8730	0.000	1	108.7470	0.032	2	108.2585	0.537	18	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]CH)(C[6]N[6]CH)(C[5]N[5]O){1|H<1>,1|S<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	108.6210	0.000	1	108.7470	0.032	2	108.2585	0.537	18	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HO)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	108.4780	0.000	1	108.4780	0.000	1	108.2585	0.537	18	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HN)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HN)(C[5]N[5]O){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.7810	0.000	1	107.7810	0.000	1	108.2585	0.537	18	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	108.9850	0.000	1	108.9850	0.000	1	108.2585	0.537	18	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	108.1860	0.000	1	108.1860	0.000	1	108.2585	0.537	18	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[5,5,6]O)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[5,5,6]O){1|H<1>,2|C<3>,2|C<4>}	108.1925	1.399	2	108.1925	1.958	2	108.2585	0.537	18	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.1650	0.000	1	107.4400	0.151	2	108.2585	0.537	18	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.7150	0.000	1	107.4400	0.151	2	108.2585	0.537	18	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O){3|H<1>,9|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	108.8360	0.000	1	108.8360	0.000	1	108.2585	0.537	18	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)2(C[5]N[5]O){5|H<1>,8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	108.0070	0.000	1	108.0070	0.000	1	108.2585	0.537	18	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]O){1|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.8270	0.000	1	107.8270	0.000	1	108.2585	0.537	18	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5a,6]C[5,6]C[5])(N[5]C[6a]C[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]N[5]O)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5a,6]C[5,6]C[5])(N[5]C[6a]C[5])(O){1|N<2>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]N[5]O){2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<4>,3|C<3>,3|H<1>}	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	108.1291	0.451	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.3450	0.000	1	108.3450	0.000	1	108.3273	0.186	3	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6]O)(CH3){2|C<3>,2|C<4>}	108.7490	0.000	1	108.7490	0.000	1	108.3273	0.186	3	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5]H)(C[6]C[6]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<2>,2|N<3>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5]H)(C[6]C[6]CC)(C[5]N[5]O){1|H<1>,2|C<4>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.8880	0.000	1	107.8880	0.000	1	108.3273	0.186	3	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]3){1|H<1>,2|C<3>,2|C<4>}	111.7020	0.000	1	111.7020	0.000	1	110.0825	5.246	2	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.4630	0.000	1	108.4630	0.000	1	110.0825	5.246	2	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CC)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.9380	0.330	2	107.9380	0.109	2	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.4130	0.182	2	108.4130	0.033	2	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]HO)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.9447	0.632	3	107.9447	0.400	3	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.1960	0.000	1	108.1960	0.000	1	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.8070	0.000	1	108.9525	0.042	2	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	109.0980	0.000	1	108.9525	0.042	2	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)2(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.3200	0.000	1	108.3200	0.000	1	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.3200	0.000	1	108.2615	0.007	2	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.2030	0.000	1	108.2615	0.007	2	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.6640	0.000	2	108.6467	0.001	3	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.6120	0.000	1	108.6467	0.001	3	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	109.0530	0.000	1	109.0530	0.000	1	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CH3){1|Br<1>,2|C<3>,2|C<4>}	107.7170	0.000	1	107.7170	0.000	1	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	108.2000	0.000	1	108.2000	0.000	1	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]O[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.5390	0.000	1	108.5390	0.000	1	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]O)(C[6]C[5,6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]O)(C[6]C[5,6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.5530	0.000	1	108.5530	0.000	1	108.3563	0.193	21	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:S-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6a]S[6]H)(C[5]N[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]S)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(S){1|S<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(C[6]C[6a]S[6]H)(C[5]N[5]S){1|C<4>,1|H<1>,8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]S)(CH3){1|H<1>,2|C<3>,2|C<4>}	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	108.4421	0.628	27	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	3:4:4:3:	4:3:1:	C[5,6]-4:N[5]-3:O-1:	N[5]-3:C[6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[6]2N[5])(N[5]C[5,6]H)(O)	C[5,6](N[5]C[5,6]H)(C[6]C[6]HH)2(C[5]N[5]O)	N[5](C[5,6]C[6]2N[5])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[6]2N[5])(N[5]C[5,6]H)(O){4|C<4>,5|H<1>}	C[5,6](N[5]C[5,6]H)(C[6]C[6]HH)2(C[5]N[5]O){3|C<4>,5|H<1>}	N[5](C[5,6]C[6]2N[5])(C[5]C[5,6]O)(H){4|C<4>,5|H<1>}	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:2:3:2:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:O[6]-2:C[5]-3:O-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]O[6]O)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]O[6]O)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]O)(C[6]C[6]H)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)(H)	N[5](C[5]C[5,6]O)2(CC3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6]O)2(CC3){1|C<4>,1|H<1>,2|C<3>}	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	108.0835	0.571	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[5,6]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,4|C<3>}	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]N[5]O)(H){1|C<4>,1|O<1>,7|C<3>}	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,1|H<1>}	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	108.0835	0.571	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,5,6]N[6]H)(N[5]C[5,5]H)(O)	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H)	N[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,5,6]N[6]H)(N[5]C[5,5]H)(O){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	N[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]C[5,6]O)(H){1|H<1>,2|N<3>,3|C<3>}	106.6940	0.057	2	106.6940	0.003	2	106.6940	0.003	2	106.6940	0.003	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]C)(O)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	106.8800	0.000	1	106.8800	0.000	1	106.8800	0.000	1	105.7685	2.471	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]H)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(O){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO){1|Br<1>,2|C<3>,4|H<1>}	104.6570	0.000	1	104.6570	0.000	1	104.6570	0.000	1	105.7685	2.471	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6,6]N[6]H)(N[5]C[5,6]C)(O)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC3)	C[5](C[5,6]C[5,6,6]N[6]H)(N[5]C[5,6]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC3){1|N<3>,3|C<3>,3|H<1>}	108.5220	0.000	1	108.5220	0.000	1	108.5220	0.000	1	108.5220	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:2:	3:4:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[5]-3:C[5]-3:O[6]-2:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[5]C[6]O[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[6]HH)(C[5]C[5]C)(C[5]N[5]O)(O[6]C[6])	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5,6]C[5]C[6]O[6])(N[5]C[5]C)(O){3|C<3>,4|H<1>}	C[5,6](C[6]C[6]HH)(C[5]C[5]C)(C[5]N[5]O)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:2:	4:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,5,6]C[6]O)(N[5]C[5,5]H)(O)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH)	N[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,5,6]C[6]O)(N[5]C[5,5]H)(O){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]O)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	108.9400	0.033	2	108.9400	0.001	2	108.9400	0.001	2	108.9400	0.001	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]H)(O){1|N<3>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1703	0.451	6	108.1703	0.203	6	108.1703	0.203	6	108.1703	0.203	6	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	105.3520	0.165	2	105.3520	0.027	2	105.3520	0.027	2	105.3520	0.027	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6a]C[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(C[5]N[5]O)	N[5](C[5]C[5,6]O)2(COO)	C[5](C[5,6]C[5,6]C[6a]C[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,6|C<3>}	N[5](C[5]C[5,6]O)2(COO){1|C<4>,1|H<1>,2|C<3>}	106.6340	0.000	1	106.6340	0.000	1	106.6340	0.000	1	106.6340	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5,6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|O<1>,1|S<1>,2|C<4>,2|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	108.2313	0.407	10	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O){1|C<4>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.1250	0.000	1	107.1250	0.000	1	107.9325	0.200	6	108.2313	0.407	10	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1690	0.245	3	108.1690	0.060	3	107.9325	0.200	6	108.2313	0.407	10	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5,6]N[5,6])(N[5]C[5,6a]C)(O){1|N<3>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.9815	0.237	2	107.9815	0.056	2	107.9325	0.200	6	108.2313	0.407	10	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6]-3:C[5]-3:C[6]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H)	N[5](C[5]C[5,6]O)2(CC[6]CH)	C[5](C[5,6]C[5,6]C[6,6]C[6])(N[5]C[5]C)(O){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	N[5](C[5]C[5,6]O)2(CC[6]CH){4|C<3>}	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	108.2313	0.407	10	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6,6a]2C[5,6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	N[5](C[5]C[5,6]O)2(CC[6]CH)	C[5](C[5,6]C[6,6a]2C[5,6])(N[5]C[5]C)(O){1|O<1>,6|C<3>}	C[5,6](C[5,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){1|C<2>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	N[5](C[5]C[5,6]O)2(CC[6]CH){4|C<3>}	109.1800	0.000	1	109.1800	0.000	1	109.1140	0.009	2	108.2313	0.407	10	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6,6a]2C[5,6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O)	N[5](C[5]C[5,6]O)2(CC[6a]CH)	C[5](C[5,6]C[6,6a]2C[5,6])(N[5]C[5]C)(O){1|O<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])2(C[5]N[5]O){1|O<1>,2|C<4>,3|H<1>,7|C<3>}	N[5](C[5]C[5,6]O)2(CC[6a]CH){4|C<3>}	109.0480	0.000	1	109.0480	0.000	1	109.1140	0.009	2	108.2313	0.407	10	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:3:	3:4:4:	C[5,6]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC3){2|C<3>,2|H<1>}	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:3:	4:3:1:	C[5,6]-4:N[5]-3:S-1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5,5]H)(S)	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6]S)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5,5]H)(S){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2{1|H<1>,2|C<4>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6]S)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:3:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[5,5]-4:C[5]-3:S-4:	C[5](C[5,6]C[5,5,6]C[6a]C[6])(N[5]C[5,5]S)(O)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(C[6]N[6]O)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]O)(SC[6a]OO)	C[5](C[5,6]C[5,5,6]C[6a]C[6])(N[5]C[5,5]S)(O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(C[6]N[6]O){1|N<3>,1|S<4>,2|C<4>,4|C<3>,5|H<1>}	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]O)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	105.9230	0.000	1	105.9230	0.000	1	105.9230	0.000	1	105.9230	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:4:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO)	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.1615	0.302	2	109.1615	0.091	2	109.1615	0.091	2	109.1615	0.091	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[3,6]-4:C[5]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[3,6]C[5]C[6])(N[5]C[6a]N[5])(O)	C[5,6](C[3,6]C[3,6]C[6a]O[3])(C[5]C[6a]N[5])(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[3,6]C[5]C[6])(N[5]C[6a]N[5])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[3,6]C[3,6]C[6a]O[3])(C[5]C[6a]N[5])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	105.5030	0.000	1	105.5030	0.000	1	105.5030	0.000	1	105.9837	0.315	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5](C[5,6]C[5,5,6]C[5,6a]C[6,6])(N[5]C[5,6a]O)(O)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(OC)	C[5](C[5,6]C[5,5,6]C[5,6a]C[6,6])(N[5]C[5,6a]O)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5]N[5]O){1|N<4>,1|O<2>,3|C<3>,4|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(OC){1|H<1>,2|C<3>,2|C<4>}	106.6000	0.000	1	106.6000	0.000	1	106.6000	0.000	1	105.9837	0.315	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[5]-3:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[6a]N[5])(C[6]N[6]CH)(C[5]N[5]O){2|H<1>,7|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	105.8480	0.000	1	105.8480	0.000	1	105.8480	0.000	1	105.9837	0.315	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	108.0330	0.000	1	108.0330	0.000	1	108.2392	0.403	5	108.1150	0.415	6	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCH)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|O<2>,4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCH){1|H<1>,2|C<3>,2|C<4>}	108.4970	0.000	1	108.4970	0.000	1	108.2392	0.403	5	108.1150	0.415	6	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	108.2220	0.867	3	108.2220	0.751	3	108.2392	0.403	5	108.1150	0.415	6	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,2|H<1>,5|C<3>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|H<1>,2|C<4>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	108.1150	0.415	6	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[3x6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[3x6]C[3x6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[3x6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[3x6]C[3x6]N[3x6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){2|H<1>,3|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	108.5133	0.226	7	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]O[6]CH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[6]O[6]CH)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.9640	0.382	2	108.9640	0.146	2	108.4400	0.226	6	108.5133	0.226	7	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	107.9710	0.000	1	107.9710	0.000	1	108.4400	0.226	6	108.5133	0.226	7	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[5a]H)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.0690	0.000	1	108.0690	0.000	1	108.4400	0.226	6	108.5133	0.226	7	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.3360	0.239	2	108.3360	0.057	2	108.4400	0.226	6	108.5133	0.226	7	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:4:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[6,6a]C[5,6]C[5])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(N[5]C[5]C)(O){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]CH){1|C<3>,1|C<4>,2|H<1>}	109.2950	0.000	1	109.2950	0.000	1	108.4460	1.442	2	108.5220	0.515	4	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:4:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[6,6a]C[5,6]C[5])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(N[5]C[5]C)(O){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	107.5970	0.000	1	107.5970	0.000	1	108.4460	1.442	2	108.5220	0.515	4	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:4:3:	3:4:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	108.5980	0.281	2	108.5980	0.079	2	108.5980	0.079	2	108.5220	0.515	4	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,4|H<1>}	N[5](C[5]C[5,6]O)2(H){2|C<4>,2|H<1>}	109.1425	0.135	2	107.5850	1.811	6	107.6300	1.523	7	107.6300	1.523	7	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|H<1>}	N[5](C[5]C[5,6]O)2(H){2|C<4>,2|H<1>}	106.8063	0.766	4	107.5850	1.811	6	107.6300	1.523	7	107.6300	1.523	7	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6]O)2(H){1|C<3>,1|C<4>,2|H<1>}	107.9000	0.000	1	107.9000	0.000	1	107.6300	1.523	7	107.6300	1.523	7	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:S-2:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(SC)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|S<2>,3|H<1>}	N[5](C[5]C[5,6]O)2(SC){2|C<4>,2|H<1>}	108.4195	2.500	2	108.4195	6.248	2	108.4195	6.248	2	108.4195	6.248	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[3,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[3,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[3,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[3x6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[3x6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[3x6]C[3x6]C[4x6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[3x6]C[5,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[3x6]C[3x6]C[4x6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]2H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5405	0.033	2	108.5405	0.001	2	108.3818	0.398	9	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]2H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.9935	0.125	2	107.9935	0.016	2	108.3818	0.398	9	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]2H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,4|H<1>,6|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.1850	0.000	1	108.1850	0.000	1	108.3818	0.398	9	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]2H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]2H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]2H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5,6]2H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.4750	0.000	1	108.4750	0.000	1	108.3818	0.398	9	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]2H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]2C[6])(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]2H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]2C[6])(C[5]N[5]O)(H){1|B<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	109.8020	0.000	1	109.8020	0.000	1	108.3818	0.398	9	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]2H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]2H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.9530	0.618	2	107.9530	0.382	2	108.3818	0.398	9	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[3x6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[3x6]C[5]H)(C[6,6]C[3x6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.2930	0.000	1	108.2930	0.000	1	108.5650	0.266	3	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	109.1600	0.000	1	109.1600	0.000	1	108.5650	0.266	3	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.2420	0.000	1	108.2420	0.000	1	108.5650	0.266	3	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(COO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]CH)(C[5]N[5]O)(H){2|O<1>,5|C<3>}	N[5](C[5]C[5,6]O)2(COO){1|C<4>,1|H<1>,2|C<3>}	107.0500	0.000	1	107.0500	0.000	1	107.0500	0.000	1	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.8470	0.379	2	108.8470	0.144	2	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5235	0.988	2	108.1020	0.564	4	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.6805	0.073	2	108.1020	0.564	4	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	108.2375	0.251	2	108.2375	0.063	2	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	109.1190	0.000	1	109.1190	0.000	1	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.6160	0.000	1	108.6160	0.000	1	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.6720	0.000	1	108.2728	0.172	6	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.1997	0.219	3	108.2728	0.172	6	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.8460	0.000	1	108.2728	0.172	6	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5200	0.000	1	108.2728	0.172	6	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.2680	0.000	1	108.4317	0.207	6	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.8060	0.000	1	108.4317	0.207	6	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.8120	0.000	1	108.4317	0.207	6	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5680	0.455	3	108.4317	0.207	6	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.0940	0.402	4	108.2908	0.369	31	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.6380	0.417	6	108.2908	0.369	31	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5150	0.000	1	108.2908	0.369	31	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.9400	0.000	1	108.2908	0.369	31	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	108.6570	0.113	2	108.2908	0.369	31	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.6617	0.464	3	108.2908	0.369	31	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.8920	0.192	4	108.2908	0.369	31	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	108.6885	0.170	2	108.2908	0.369	31	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	107.2930	0.284	2	108.2908	0.369	31	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.5878	0.343	6	108.2908	0.369	31	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.3600	0.000	1	108.3600	0.000	1	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.0600	0.000	1	108.0600	0.000	1	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.5105	0.112	2	107.5105	0.013	2	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[5a,6]CH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.7390	0.000	1	108.7390	0.000	1	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5a,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<4>,3|C<3>,3|H<1>}	108.3800	0.000	1	108.3800	0.000	1	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.1060	0.000	1	108.1060	0.000	1	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.6790	0.000	1	108.3431	0.304	7	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.8790	0.000	1	108.3431	0.304	7	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.6720	0.000	1	108.3431	0.304	7	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.7670	0.256	2	108.3431	0.304	7	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.3190	0.470	2	108.3431	0.304	7	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.1840	0.000	1	107.1840	0.000	1	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]B[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|B<3>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]B[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.3600	0.000	1	108.3600	0.000	1	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3x6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3x6]CH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	109.0120	0.000	1	109.0120	0.000	1	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	109.2700	0.000	1	109.2700	0.000	1	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	109.7420	1.781	3	109.2624	2.019	5	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5430	0.079	2	109.2624	2.019	5	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.0630	0.000	1	107.7260	1.310	4	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,1|S<3>,2|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.0620	0.000	1	107.7260	1.310	4	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.3895	1.865	2	107.7260	1.310	4	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.2470	0.000	1	108.2470	0.000	1	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	107.4410	0.000	1	108.0725	0.798	2	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.7040	0.000	1	108.0725	0.798	2	108.3380	0.504	83	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.1560	0.000	1	108.1560	0.000	1	108.3588	0.207	13	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5405	0.011	2	108.5405	0.000	2	108.3588	0.207	13	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[5x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[5x6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.1330	0.000	1	108.1330	0.000	1	108.3588	0.207	13	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.8655	0.648	2	108.3891	0.382	7	108.3588	0.207	13	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|B<3>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	109.3600	0.000	1	108.3891	0.382	7	108.3588	0.207	13	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5570	0.000	1	108.3891	0.382	7	108.3588	0.207	13	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.2865	0.566	2	108.3891	0.382	7	108.3588	0.207	13	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.5030	0.000	1	108.3891	0.382	7	108.3588	0.207	13	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[6,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,5|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	108.2850	0.116	2	108.2850	0.013	2	108.3588	0.207	13	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	106.9110	0.000	1	106.9110	0.000	1	106.9110	0.000	1	108.3205	0.465	112	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[4,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[4,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,6](C[4,6]C[4,6]N[4]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[4,6]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[4,6]C[4,6]N[4]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6,6]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[5]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.9075	0.426	2	108.9075	0.182	2	108.9970	0.081	4	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6,6]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	109.0865	0.172	2	109.0865	0.030	2	108.9970	0.081	4	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]2H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.5520	0.000	1	108.5520	0.000	1	108.5520	0.000	1	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.6040	0.928	2	108.6040	0.861	2	108.6040	0.861	2	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[4,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.9430	0.000	1	108.9430	0.000	1	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.7485	0.005	2	108.7485	0.000	2	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	109.1330	0.000	1	109.1330	0.000	1	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]B[5]C[6]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|B<3>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]B[5]C[6]C)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.6770	0.146	2	108.6770	0.021	2	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CCHH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5]C[5,6]O)2(CCHH){2|C<4>,2|H<1>}	108.8490	0.371	2	108.8490	0.137	2	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.3415	0.149	2	108.5072	0.162	8	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.2040	0.346	3	108.5072	0.162	8	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.9210	0.120	3	108.5072	0.162	8	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.6223	0.363	3	108.6100	0.159	26	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.6718	0.391	10	108.6100	0.159	26	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.5000	0.290	2	108.6100	0.159	26	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.7646	0.293	8	108.6100	0.159	26	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.0527	0.489	3	108.6100	0.159	26	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CC)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.7380	0.242	2	108.7380	0.058	2	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.8025	0.033	2	108.8025	0.001	2	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CCHH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5]C[5,6]O)2(CCHH){2|C<4>,2|H<1>}	108.6660	0.000	1	108.6660	0.000	1	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.9240	0.000	1	109.0820	0.050	2	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	109.2400	0.000	1	109.0820	0.050	2	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CCCH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(CCCH){2|C<4>,2|H<1>}	109.0215	0.240	2	109.0215	0.057	2	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CCHH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(CCHH){2|C<4>,2|H<1>}	109.7120	0.000	1	109.7120	0.000	1	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(CC[6a]HH){2|C<4>,2|H<1>}	108.6205	0.325	2	108.6205	0.105	2	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.5157	0.167	3	108.4304	0.248	9	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	109.0560	0.000	1	108.4304	0.248	9	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.5350	0.000	1	108.4304	0.248	9	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	107.9340	0.505	3	108.4304	0.248	9	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.9340	0.000	1	108.4304	0.248	9	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.2660	0.000	1	108.5970	0.176	3	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.7625	0.433	2	108.5970	0.176	3	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	107.8100	0.000	1	108.0090	0.079	2	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.2080	0.000	1	108.0090	0.079	2	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	107.7780	0.120	2	107.7780	0.014	2	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.6100	0.000	1	108.3287	0.160	6	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|B<3>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.6720	0.081	2	108.3287	0.160	6	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	107.9655	0.395	2	108.3287	0.160	6	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.0870	0.000	1	108.3287	0.160	6	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]N)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]N)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)2(CC[6a]HH){1|H<1>,1|N<3>,2|C<4>}	107.4630	0.000	1	107.4630	0.000	1	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	108.4480	0.000	1	108.4480	0.000	1	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	108.0890	0.000	1	108.5323	0.245	4	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.6800	0.486	3	108.5323	0.245	4	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CC3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(CC3){2|C<4>,2|H<1>}	109.3870	0.000	1	109.3870	0.000	1	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CCHH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(CCHH){2|C<4>,2|H<1>}	108.7870	0.000	1	108.7870	0.000	1	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	109.0280	0.420	2	108.7515	0.079	15	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.6310	0.242	5	108.7515	0.079	15	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.7576	0.259	8	108.7515	0.079	15	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	109.3570	0.139	2	109.3570	0.019	2	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)2(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	108.8490	0.320	2	108.8490	0.102	2	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	108.7410	0.000	1	108.7410	0.000	1	108.6279	0.193	104	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C[6])(O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	107.6680	0.277	2	107.6680	0.077	2	107.6680	0.077	2	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CC3)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)2(CC3){2|C<4>,2|H<1>}	110.0260	0.000	1	110.0260	0.000	1	108.8936	0.177	22	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CCHH)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]O)2(CCHH){2|C<4>,2|H<1>}	109.2940	0.000	1	109.2940	0.000	1	108.8936	0.177	22	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.9665	0.093	2	108.8170	0.113	20	108.8936	0.177	22	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.8861	0.375	12	108.8170	0.113	20	108.8936	0.177	22	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.5860	0.187	2	108.8170	0.113	20	108.8936	0.177	22	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.5400	0.134	2	108.8170	0.113	20	108.8936	0.177	22	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]O)2(CH3)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]O)2(CH3){2|C<4>,2|H<1>}	108.7610	0.420	2	108.8170	0.113	20	108.8936	0.177	22	108.6663	0.211	136	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]H)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]H)(O){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]N[5]O)(H){2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(H){1|O<2>,3|C<4>,3|H<1>}	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	107.2395	0.032	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(O){1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(H){2|C<4>,2|H<1>}	107.1130	0.000	1	107.1130	0.000	1	107.1130	0.000	1	107.2395	0.032	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(O)	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(O){2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO){2|C<4>,2|O<2>,3|H<1>}	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	107.3085	0.379	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C[6a])(O)	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C[6a])(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]OO)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	107.1550	0.000	1	107.1550	0.000	1	107.1550	0.000	1	107.3085	0.379	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H){3|C<3>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	107.4040	0.833	2	107.5723	0.432	3	107.4070	0.397	4	107.3085	0.379	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]CH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.9090	0.000	1	107.5723	0.432	3	107.4070	0.397	4	107.3085	0.379	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	106.9110	0.000	1	106.9110	0.000	1	107.4070	0.397	4	107.3085	0.379	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6]C[5,6]C[6a]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){4|H<1>,5|C<3>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.0250	0.000	1	107.0250	0.000	1	107.5830	0.623	2	107.3085	0.379	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){4|H<1>,5|C<3>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	108.1410	0.000	1	108.1410	0.000	1	107.5830	0.623	2	107.3085	0.379	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]C)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]C[6a]H)(C[5]N[5]O)(H)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]C[6a]H)(C[5]N[5]O)(H){2|H<1>,3|C<4>,4|C<3>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC[6a]HH){3|C<4>,4|H<1>}	106.7920	0.605	3	106.7920	0.366	3	106.9393	0.331	4	107.1905	1.153	22	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]C)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]C)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC[6a]HH){3|C<4>,4|H<1>}	107.3810	0.000	1	107.3810	0.000	1	106.9393	0.331	4	107.1905	1.153	22	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]N[5]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	107.2920	0.252	2	107.2920	0.063	2	107.0580	0.765	9	107.1905	1.153	22	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	106.4930	0.000	1	106.4930	0.000	1	107.0580	0.765	9	107.1905	1.153	22	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	106.3340	0.000	1	106.3340	0.000	1	107.0580	0.765	9	107.1905	1.153	22	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]CC)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]CC)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	107.4830	0.000	1	107.4830	0.000	1	107.0580	0.765	9	107.1905	1.153	22	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]CO)(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]CO)(C[5]C[5,6]O)(CCHH){2|C<4>,2|H<1>}	106.8560	0.915	2	106.8560	0.837	2	107.0580	0.765	9	107.1905	1.153	22	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]N[5]O)(H){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	106.1010	0.000	1	106.1010	0.000	1	107.0580	0.765	9	107.1905	1.153	22	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]CC)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(C[5]N[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]CC){2|C<4>,2|H<1>}	108.8150	0.000	1	108.8150	0.000	1	107.0580	0.765	9	107.1905	1.153	22	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(O){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(H){1|S<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(SC[6a]OO){2|C<4>,2|H<1>}	108.8380	0.000	1	108.8380	0.000	1	106.9882	1.597	4	107.1905	1.153	22	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(O){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(H){1|C<4>,1|S<4>,6|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(SC[6a]OO){2|C<4>,2|H<1>}	106.3717	0.338	3	106.3717	0.114	3	106.9882	1.597	4	107.1905	1.153	22	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[6]C[5a,6]C[5a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]2H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6]C[5a,6]C[5a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]2H){2|C<4>,2|H<1>}	106.3630	0.000	1	106.3630	0.000	1	107.7920	2.481	5	107.1905	1.153	22	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	106.7920	0.013	2	106.7920	0.000	2	107.7920	2.481	5	107.1905	1.153	22	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[5,6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){2|H<1>,3|C<4>,4|C<3>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	109.5065	0.046	2	109.5065	0.002	2	107.7920	2.481	5	107.1905	1.153	22	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:O-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,5,6]C[6]O)(N[5]C[5]H)(O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(OH)	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,5,6]C[6]O)(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]O)(H){1|C<3>,1|O<2>,2|C<4>}	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	113.4643	24.862	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:2:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2S[5])(N[5]C[5]H)(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]O)(S[5]C[5])	N[5](C[5]C[5,6]O)(C[5]S[5]O)(H)	C[5](C[5,6]C[6]2S[5])(N[5]C[5]H)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]O)(S[5]C[5]){1|H<1>,1|O<1>,3|C<2>,5|C<3>}	N[5](C[5]C[5,6]O)(C[5]S[5]O)(H){2|C<4>}	116.3430	0.068	2	116.3430	0.005	2	116.3430	0.005	2	113.4643	24.862	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:2:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6]C[6]2S[5])(N[5]C[6a]C[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5])	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]S[5]S)	C[5](C[5,6]C[6]2S[5])(N[5]C[6a]C[5])(O){1|S<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5]){1|S<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]S[5]S){2|C<3>,2|C<4>,2|H<1>}	112.6810	0.000	1	112.6810	0.000	1	112.6810	0.000	1	112.6810	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(N[5]C[5])	N[5](C[5]C[5,6]O)(C[5]N[5]C)(CH3)	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)(N[5]C[5]){3|C<4>,4|C<3>}	N[5](C[5]C[5,6]O)(C[5]N[5]C)(CH3){2|C<4>}	104.7530	0.000	1	104.7530	0.000	1	104.7530	0.000	1	108.5350	28.607	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:2:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:S[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]2S[5])(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5])	N[5](C[5]C[5,6]O)(C[5]S[5]S)(CCCH)	C[5](C[5,6]C[6]2S[5])(N[5]C[5]C)(O){1|S<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(S[5]C[5]){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)(C[5]S[5]S)(CCCH){2|C<4>}	112.3170	0.000	1	112.3170	0.000	1	112.3170	0.000	1	108.5350	28.607	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:2:	4:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|H<1>,1|O<2>,2|C<4>}	107.8470	0.000	1	108.8032	0.487	5	108.8032	0.487	5	108.8032	0.487	5	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:2:	4:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(OC){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|H<1>,1|O<2>,2|C<4>}	109.0422	0.518	4	108.8032	0.487	5	108.8032	0.487	5	108.8032	0.487	5	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(O)	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	106.6890	0.000	1	106.6890	0.000	1	107.1646	0.180	8	107.0852	0.214	9	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(H)	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(O){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,5|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	107.2326	0.408	7	107.2326	0.167	7	107.1646	0.180	8	107.0852	0.214	9	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6]-4:N[5]-3:S-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(S)	C[5,6](C[6]C[6]HH)2(C[5]N[5]S)(N[5]C[5]H)	N[5](C[5]C[5,6]S)(C[5]N[5]S)(H)	C[5](C[5,6]C[6]2N[5])(N[5]C[5]H)(S){1|S<1>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]N[5]S)(N[5]C[5]H){1|C<4>,1|S<1>,5|H<1>}	N[5](C[5]C[5,6]S)(C[5]N[5]S)(H){1|H<1>,2|C<4>}	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	107.0852	0.214	9	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	105.9287	0.609	3	105.9287	0.370	3	105.7795	0.221	15	105.7795	0.221	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6]C[5]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|Fe<10>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	105.6790	0.000	1	105.6790	0.000	1	105.7795	0.221	15	105.7795	0.221	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(C[5]N[5]C)(C[5]N[5]O){2|H<1>,5|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	105.5824	0.455	5	105.5824	0.207	5	105.7795	0.221	15	105.7795	0.221	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	106.5120	0.000	1	106.5120	0.000	1	105.7795	0.221	15	105.7795	0.221	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	106.2530	0.000	1	106.2530	0.000	1	105.7795	0.221	15	105.7795	0.221	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){2|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){2|H<1>,7|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	105.6745	0.585	2	105.5870	0.194	3	105.7795	0.221	15	105.7795	0.221	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[6]C[6a]C[6]H)2(C[5]N[5]C)(C[5]N[5]O){4|H<1>,6|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	105.4120	0.000	1	105.5870	0.194	3	105.7795	0.221	15	105.7795	0.221	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:2:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(C[5]N[5]C)(C[5]N[5]O){5|C<3>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	105.7890	0.000	1	105.7890	0.000	1	105.7795	0.221	15	105.7795	0.221	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]C[6a]N[5])(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	105.5580	0.000	1	105.5580	0.000	1	105.5580	0.000	1	106.6727	0.454	6	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CC[6a]O)	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CC[6a]O){1|H<1>,2|C<4>}	107.1460	0.010	2	107.1460	0.000	2	107.1460	0.000	2	106.6727	0.454	6	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6]C[6]2N[5])(N[5]C[5]N)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(NHH)	C[5](C[5,6]C[6]2N[5])(N[5]C[5]N)(O){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(NHH){1|H<1>,2|C<4>}	106.7287	0.533	3	106.7287	0.284	3	106.7287	0.284	3	106.6727	0.454	6	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)(COO)	N[5](C[5]C[5,6]O)2(CC3)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5,6]O)2(CC3){1|C<4>,1|H<1>,2|C<3>}	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	107.5343	0.833	9	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(NCH)	N[5](C[5]C[5,6]O)2(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5]C)(O){1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(NCH){1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)2(CC[6a]HH){1|H<1>,1|N<3>,2|C<4>}	107.9270	0.000	1	107.9270	0.000	1	107.9270	0.000	1	107.5343	0.833	9	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CCHH)	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<4>}	107.6060	0.308	2	107.6060	0.095	2	107.5422	0.068	5	107.5343	0.833	9	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5,6]C[6]2N[5])(N[5]C[5]C)(O){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	107.4997	0.285	3	107.4997	0.081	3	107.5422	0.068	5	107.5343	0.833	9	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:S-4:	C[5](C[5,6]C[6]2N[5])(N[5]C[5]S)(O)	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,6]O)(C[5]N[5]O)(SC[6a]OO)	C[5](C[5,6]C[6]2N[5])(N[5]C[5]S)(O){1|O<1>,2|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]N[5]O)(SC[6a]OO){1|H<1>,2|C<4>}	106.3755	0.023	2	106.3755	0.001	2	106.3755	0.001	2	107.5343	0.833	9	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:4:1:	C[5,6]-4:N[5]-3:O-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]N[6]O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(O){1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]N[6]O){3|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	108.8717	0.863	3	108.8717	0.744	3	108.8717	0.744	3	108.8717	0.744	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:4:4:	C[5,6]-4:N[5]-3:O-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:S-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]O)(C[6]N[6]O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]O)(C[6]N[6]O){1|S<4>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	107.5870	0.000	1	107.5870	0.000	1	107.5870	0.000	1	108.5667	0.761	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:4:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(C[6]N[6]O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(C[6]N[6]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	109.2600	0.000	1	109.2600	0.000	1	109.2600	0.000	1	108.5667	0.761	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	3:4:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH)	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH){1|C<4>,1|N<3>,2|H<1>}	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	108.5667	0.761	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	4:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-3:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,5,6]H)(O)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH)	N[5](C[5,5,6]C[5,6,6a]C[5,6,6]C[5])(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,5,6]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]CC)(C[5]N[5]O)(CCH){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5,6]C[5,6,6a]C[5,6,6]C[5])(C[5]C[5,6]O)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	108.2424	0.631	14	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	4:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO){1|O<2>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	108.6353	0.216	3	108.3877	0.276	4	108.5338	0.242	11	108.2424	0.631	14	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	4:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCO){1|O<2>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	107.6450	0.000	1	108.3877	0.276	4	108.5338	0.242	11	108.2424	0.631	14	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	4:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCO){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	108.6173	0.493	7	108.6173	0.243	7	108.5338	0.242	11	108.2424	0.631	14	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	4:3:1:	C[5,6]-4:N[5]-3:S-1:	C[5,6]-4:C[6]-4:C[5]-3:N-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]H)(S)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]S)(NOO)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]S)(H)	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]H)(S){1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]O[6]H)(C[5]N[5]S)(NOO){1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]S)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	106.7005	0.285	2	106.7005	0.081	2	106.7005	0.081	2	108.2424	0.631	14	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:3:	4:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]O)	N[5](C[5]C[6a]C[5]O)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]O)(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	108.1470	0.000	1	108.1470	0.000	1	108.1470	0.000	1	108.1470	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:4:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]O)(C[5]N[5]O)(CCHH)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]O)(C[5]N[5]O)(CCHH){1|O<1>,5|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:4:	4:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO){1|O<2>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|H<1>,3|C<4>}	109.7660	0.000	1	109.7660	0.000	1	109.3430	0.358	2	109.3430	0.358	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:4:	4:3:1:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCHO)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCHO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	108.9200	0.000	1	108.9200	0.000	1	109.3430	0.358	2	109.3430	0.358	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:4:	4:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	108.5840	0.000	1	108.5840	0.000	1	108.5840	0.000	1	108.5840	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:3:4:	4:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:C[6]-4:C[6]-4:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6]2)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]HH)2(C[5]N[5]O)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6]2)(N[5]C[6a]C[5])(O){1|C<3>,1|N<2>,1|O<1>,4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]HH)2(C[5]N[5]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5,6]O)2{1|N<2>,2|C<3>,4|C<4>}	107.1400	0.556	2	107.1400	0.309	2	107.1400	0.309	2	107.6437	0.915	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:4:3:	3:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]N)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[5]C[5]O)(NC[6a]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]N)(O){1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]O)(NC[6a]H){2|C<4>,2|H<1>}	108.6510	0.000	1	108.6510	0.000	1	108.6510	0.000	1	107.6437	0.915	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]H)	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]H){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	114.8050	0.130	2	114.8050	0.017	2	114.8050	0.017	2	112.7002	6.281	4	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:O-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(O){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]O){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	109.8520	0.000	1	109.8520	0.000	1	109.8520	0.000	1	112.7002	6.281	4	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:S-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(S)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]S)	N[5](C[5]C[5,6]S)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(S){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]S){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]S)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	112.7002	6.281	4	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:4:3:	3:4:1:	C[5,6]-4:N[5]-3:O-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(O){1|N<3>,2|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]N[6]HH)(C[5]N[5]O){1|C<4>,1|S<4>,5|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(H){2|C<4>,2|H<1>}	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:4:3:	3:4:3:	C[5,6]-4:N[5]-3:O-1:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(C[5]N[5]O){1|C<3>,1|C<4>,6|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]O){2|C<4>,2|H<1>}	109.6550	0.000	1	109.6550	0.000	1	109.6550	0.000	1	109.6550	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:4:4:3:	3:4:4:	C[5,6]-4:N[5]-3:O-1:	C[6]-4:C[6]-4:C[5]-4:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]HH)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>}	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:2:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:As-2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(AsC)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]As)	N[5](C[5]C[5,6]As)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(AsC){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]As){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]As)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	108.4375	1.105	2	108.4375	1.221	2	108.4375	1.221	2	109.0413	5.085	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:2:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:C-2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	111.7825	1.021	4	111.7825	1.043	4	111.7825	1.043	4	109.0413	5.085	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:2:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:Ge-2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GeC[5])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ge)	N[5](C[5]C[5,6]Ge)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GeC[5]){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ge){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]Ge)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	107.3690	0.281	2	107.3690	0.079	2	107.5053	0.095	3	109.0413	5.085	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:2:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:Ge-2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GeN)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ge)	N[5](C[5]C[5,6]Ge)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GeN){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ge){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]Ge)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	107.7780	0.000	1	107.7780	0.000	1	107.5053	0.095	3	109.0413	5.085	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:2:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:P-2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P)	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	109.9375	3.671	2	109.9375	13.473	2	108.7772	6.631	4	109.0413	5.085	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:2:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:P-2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PN[6])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P)	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PN[6]){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	106.8980	0.000	1	106.8980	0.000	1	108.7772	6.631	4	109.0413	5.085	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:2:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:P-2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PP[4])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P)	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PP[4]){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	108.3360	0.000	1	108.3360	0.000	1	108.7772	6.631	4	109.0413	5.085	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:2:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:Si-2:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiC[5])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si)	N[5](C[5]C[5,6]Si)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiC[5]){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]Si)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	106.9950	0.495	2	106.9950	0.245	2	106.9950	0.245	2	109.0413	5.085	15	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	2:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:N[5]-3:	O[5,6]-2:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5,6]O[5,6]C[6]H)(N[5]C[5,6]C)(N[5]C[5]2)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]N[5]2)(H)	N[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]N[5])(CCHH)	C[5](C[5,6]O[5,6]C[6]H)(N[5]C[5,6]C)(N[5]C[5]2){1|O<2>,4|C<4>,6|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]N[5]2)(H){1|O<2>,2|H<1>,4|C<4>}	N[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]N[5])(CCHH){3|H<1>,4|C<4>}	106.8640	0.170	2	106.8640	0.029	2	106.8640	0.029	2	106.8640	0.029	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	3:4:4:4:	3:3:4:	C[5,6]-4:N[5]-3:B[6]-3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(B[6]C[6]2)	C[5,6](C[5]B[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	N[5](C[5]C[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(B[6]C[6]2){4|C<3>,6|C<4>,6|H<1>}	C[5,6](C[5]B[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{3|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	110.9200	0.000	1	110.9200	0.000	1	110.9200	0.000	1	108.2040	6.010	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	3:4:4:4:	3:3:4:	C[5,6]-4:N[5]-3:C[6]-3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[6]C[6]2)	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)	N[5](C[5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[6]C[6]2){4|C<3>,5|C<4>,7|H<1>}	C[5,6](C[5]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	108.2040	6.010	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	3:4:4:4:	3:3:4:	C[5,6]-4:Si[6]-3:N[5]-3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(Si[6]C[5,6]C[6])(N[5]C[6a]C[5])	C[5,6](C[5]Si[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	N[5](C[5]C[5,6]Si[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(Si[6]C[5,6]C[6])(N[5]C[6a]C[5]){1|N<3>,3|C<3>,7|C<4>,7|H<1>}	C[5,6](C[5]Si[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,4|H<1>,5|C<4>}	N[5](C[5]C[5,6]Si[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,6|C<4>}	106.1550	0.000	1	106.1550	0.000	1	106.1550	0.000	1	108.2040	6.010	3	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H)	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]O){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]CO)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(O){2|C<3>,2|C<4>,2|H<1>}	107.9530	0.000	1	107.9530	0.000	1	107.9530	0.000	1	107.9530	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	4:4:3:1:	3:2:1:	C[5,6]-4:N[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]O)(COO)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H)	N[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]O)(COO){1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6]HO)(C[5]N[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|H<1>}	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	4:4:3:2:	3:3:1:	C[5,6]-4:N[5]-3:C-3:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[6]2O[5])(N[5]C[5]H)(CCH)	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(O[5]C[5])	N[5](C[5]C[5,6]C)(C[5]O[5]O)(H)	C[5](C[5,6]C[6]2O[5])(N[5]C[5]H)(CCH){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>}	N[5](C[5]C[5,6]C)(C[5]O[5]O)(H){2|C<4>}	105.0790	0.000	1	105.0790	0.000	1	105.0790	0.000	1	105.0790	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	4:4:3:3:	3:3:3:	C[5,6]-4:N[5]-3:C-3:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(CC[6a]H)	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]N[5]S)	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(CC[6a]H){1|S<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|H<1>,3|C<4>}	106.6350	0.000	1	106.6350	0.000	1	106.6350	0.000	1	106.6350	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	4:4:3:3:	3:4:4:	C[5,6]-4:N[5]-3:C-3:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5]-3:C[5]-4:S-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)(C[6]C[6]O)	N[5](C[5]C[5,6]C)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H){1|O<1>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)(C[6]C[6]O){1|S<4>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]C)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	108.0750	0.000	1	108.0750	0.000	1	108.0750	0.000	1	108.0750	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:C-3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CCO)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]C)	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CCO){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]C){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	110.0750	0.000	1	110.0750	0.000	1	111.4339	3.341	7	111.3648	2.902	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:C-3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC[6a]O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]C)	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC[6a]O){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]C){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	111.4218	2.011	5	111.4218	4.046	5	111.4339	3.341	7	111.3648	2.902	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:C-3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(COO)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(COO){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	112.8530	0.000	1	112.8530	0.000	1	111.4339	3.341	7	111.3648	2.902	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:P-3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PN[6]H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P)	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PN[6]H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]P){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	111.3648	2.902	8	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:3:	4:4:4:3:	3:4:4:	C[5,6]-4:N[5]-3:C-3:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:S-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CHH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C)	N[5](C[5]C[5,6]C)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CHH){3|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]C){1|C<3>,1|S<4>,6|H<1>}	N[5](C[5]C[5,6]C)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,2|H<1>}	106.8590	0.000	1	106.8590	0.000	1	106.8590	0.000	1	106.8590	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:4:	2:3:4:3:	4:3:1:	C[5,6]-4:N[5]-3:C-4:	O[5,6]-2:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5,6]O[5,6]C[6a]C[6])(N[5]C[5,6]O)(CH3)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C)	N[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]C)(O)	C[5](C[5,6]O[5,6]C[6a]C[6])(N[5]C[5,6]O)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]C)(O){2|C<4>,2|H<1>,3|C<3>}	107.8455	0.105	2	107.8455	0.011	2	107.8455	0.011	2	107.8455	0.011	2	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:4:	4:4:3:3:	3:3:1:	C[5,6]-4:N[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]N[5]H)(CCHH)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O)	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(N[5]N[5]H)(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5,6]C)(H){1|O<1>,2|C<3>,2|C<4>}	112.9470	0.000	1	112.9470	0.000	1	112.9470	0.000	1	112.9470	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:4:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:Ga-4:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ga)	N[5](C[5]C[5,6]Ga)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3){2|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(C[5]N[5]Ga){1|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]Ga)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	109.9620	0.000	1	109.9620	0.000	1	110.2750	0.196	2	110.0228	0.196	4	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:4:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:Ga-4:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ga)	N[5](C[5]C[5,6]Ga)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GaCl3){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Ga){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]Ga)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	110.5880	0.000	1	110.5880	0.000	1	110.2750	0.196	2	110.0228	0.196	4	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:4:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:Si-4:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiCl2P)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si)	N[5](C[5]C[5,6]Si)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiCl2P){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]Si)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	110.0340	0.000	1	110.0340	0.000	1	109.7705	0.139	2	110.0228	0.196	4	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	4:3:4:	4:4:4:3:	3:3:4:	C[5,6]-4:N[5]-3:Si-4:	C[5]-4:C[6]-4:C[6]-4:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiCl2Si)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si)	N[5](C[5]C[5,6]Si)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiCl2Si){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(C[5]N[5]Si){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5,6]Si)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	109.5070	0.000	1	109.5070	0.000	1	109.7705	0.139	2	110.0228	0.196	4	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5,6]	N[5]	6:4:3:	3:4:4:4:	3:3:4:	B[5x3]-6:C[5,6]-4:N[5]-3:	C[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](B[5x3]C[3,3,5]5)(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])	C[5,6](C[5]B[5x3]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2	N[5](C[5]B[5x3]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](B[5x3]C[3,3,5]5)(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5]){2|C<3>,6|H<1>,9|C<4>}	C[5,6](C[5]B[5x3]N[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,4|H<1>,8|C<4>}	N[5](C[5]B[5x3]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,9|C<4>}	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	108.1374	1.532	797	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	3:3:3:2:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:O-2:	C[5]-4:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CO)(O)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)(OH)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CO)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)(OH){1|H<1>,2|C<4>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	108.2760	0.000	1	108.2760	0.000	1	108.2760	0.000	1	108.2760	0.000	1	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	3:3:4:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	106.3510	0.000	1	106.3510	0.000	1	106.3510	0.000	1	106.3510	0.000	1	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	3:3:4:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.3380	0.553	2	108.3380	0.306	2	108.3380	0.306	2	108.3380	0.306	2	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	3:3:4:4:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	106.5210	0.000	1	106.5210	0.000	1	106.5935	0.011	2	106.5935	0.011	2	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	3:3:4:4:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O)	C[5](C[5]N[5,5]O)(N[5]C[5,5]O)(CH3)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]N[5,5]O)(N[5]C[5,5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	106.6660	0.000	1	106.6660	0.000	1	106.5935	0.011	2	106.5935	0.011	2	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]O)	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	105.3220	0.000	1	105.3220	0.000	1	105.3220	0.000	1	105.2250	0.528	9	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5,5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	103.7610	0.000	1	103.7610	0.000	1	103.7610	0.000	1	105.2250	0.528	9	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O){3|C<3>,4|H<1>}	105.4070	0.000	1	105.4070	0.000	1	105.4203	0.301	7	105.2250	0.528	9	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	105.5310	0.000	1	105.5310	0.000	1	105.4203	0.301	7	105.2250	0.528	9	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]N)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]N)(C[5]C[5]O){1|C<2>,1|C<3>,5|H<1>}	106.3430	0.000	1	106.3430	0.000	1	105.4203	0.301	7	105.2250	0.528	9	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	104.4970	0.000	1	105.1653	0.228	4	105.4203	0.301	7	105.2250	0.528	9	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|C<4>,6|H<1>}	105.4850	0.175	2	105.1653	0.228	4	105.4203	0.301	7	105.2250	0.528	9	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|O<2>,6|H<1>}	105.1940	0.000	1	105.1653	0.228	4	105.4203	0.301	7	105.2250	0.528	9	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5](N[5,5]C[5,6a]C[3x5])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]C[5,5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,5|H<1>}	107.4710	0.000	1	107.4710	0.000	1	107.4710	0.000	1	106.5412	0.481	13	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	106.4430	0.000	1	106.4430	0.000	1	106.4430	0.000	1	106.5412	0.481	13	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){1|O<1>,2|C<4>,4|H<1>}	106.0335	0.375	2	106.0335	0.141	2	106.4656	0.483	11	106.5412	0.481	13	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){2|H<1>,4|C<4>}	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	107.4880	0.380	2	107.4880	0.145	2	106.4656	0.483	11	106.5412	0.481	13	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|O<1>,5|H<1>}	106.8135	0.066	2	106.8135	0.004	2	106.4656	0.483	11	106.5412	0.481	13	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|O<1>,5|H<1>}	106.9910	0.000	1	106.9910	0.000	1	106.4656	0.483	11	106.5412	0.481	13	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){2|H<1>,4|C<4>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<3>,7|H<1>}	106.0020	0.000	1	106.0345	0.002	2	106.4656	0.483	11	106.5412	0.481	13	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){2|H<1>,4|C<4>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<4>,7|H<1>}	106.0670	0.000	1	106.0345	0.002	2	106.4656	0.483	11	106.5412	0.481	13	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){3|C<4>,3|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	105.6960	0.037	2	105.6960	0.001	2	106.4656	0.483	11	106.5412	0.481	13	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2C)(C[5]C[5]O)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<4>,2|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5]O)2{8|H<1>}	106.5095	0.278	2	106.5095	0.077	2	106.5095	0.077	2	106.8700	0.577	11	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(O){3|C<4>,3|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,2|C<3>,8|H<1>}	107.3350	0.000	1	107.3350	0.000	1	107.3350	0.000	1	106.8700	0.577	11	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	106.4640	0.000	1	106.4640	0.000	1	106.9020	0.744	8	106.8700	0.577	11	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	105.8460	0.000	1	106.7410	1.602	2	106.9020	0.744	8	106.8700	0.577	11	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){3|C<4>,3|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	107.6360	0.000	1	106.7410	1.602	2	106.9020	0.744	8	106.8700	0.577	11	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]O){5|C<3>,5|H<1>}	107.1755	0.992	4	107.1755	0.985	4	106.9020	0.744	8	106.8700	0.577	11	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,7|H<1>}	106.5680	0.000	1	106.5680	0.000	1	106.9020	0.744	8	106.8700	0.577	11	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]HH)(O)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]O)(H)2	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]O)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	107.4620	0.000	1	107.4620	0.000	1	107.4620	0.000	1	107.1187	0.425	17	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O){1|C<4>,5|H<1>}	105.7580	0.000	1	105.7580	0.000	1	107.1726	0.459	14	107.1187	0.425	17	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O){1|C<4>,5|H<1>}	107.4835	0.121	2	107.4835	0.015	2	107.1726	0.459	14	107.1187	0.425	17	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|C<4>,3|H<1>}	107.6280	0.000	1	107.6280	0.000	1	107.1726	0.459	14	107.1187	0.425	17	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{2|C<4>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	107.0650	0.000	1	107.0650	0.000	1	107.1726	0.459	14	107.1187	0.425	17	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,7|H<1>}	107.7160	0.000	1	107.7160	0.000	1	107.1726	0.459	14	107.1187	0.425	17	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,4|H<1>}	106.5700	0.000	1	106.5700	0.000	1	107.1726	0.459	14	107.1187	0.425	17	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	108.0050	0.000	1	108.0050	0.000	1	107.1726	0.459	14	107.1187	0.425	17	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O){1|N<2>,3|C<3>,6|H<1>}	106.7285	0.456	2	106.8385	0.337	4	107.1726	0.459	14	107.1187	0.425	17	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O){4|C<3>,6|H<1>}	106.9485	0.869	2	106.8385	0.337	4	107.1726	0.459	14	107.1187	0.425	17	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){3|O<2>,5|H<1>}	107.6770	0.477	2	107.6770	0.227	2	107.1726	0.459	14	107.1187	0.425	17	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:S[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(S[5]C[5,6a]OO)(C[5]C[5]O)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]HH)(O){1|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|S<4>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(S[5]C[5,6a]OO)(C[5]C[5]O){3|H<1>,5|C<3>}	106.3800	0.000	1	106.3800	0.000	1	106.3800	0.000	1	107.1187	0.425	17	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(O){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	N[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2H)(C[5]C[5]O){3|C<4>,9|H<1>}	106.7590	0.000	1	106.7590	0.000	1	106.7590	0.000	1	107.1187	0.425	17	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:2:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:O-2:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HO)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(OC)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HO)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(OC)(H){1|C<4>,3|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|O<2>,6|H<1>}	104.1010	0.000	1	104.1010	0.000	1	104.1010	0.000	1	104.1010	0.000	1	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:2:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(O)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(OH)(H)	N[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]C[5,6]CC)(C[5]C[5]O)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(O){3|O<2>,4|C<4>}	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(OH)(H){1|O<2>,3|C<4>}	N[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]C[5,6]CC)(C[5]C[5]O){2|C<4>,3|H<1>,3|O<2>}	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	107.3375	1.784	2	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:2:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(OH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|O<2>,6|H<1>}	106.3930	0.000	1	106.3930	0.000	1	106.3930	0.000	1	107.3375	1.784	2	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	105.8850	0.000	1	105.8850	0.000	1	105.8850	0.000	1	105.9435	0.007	2	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H){1|C<4>,3|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	106.0020	0.000	1	106.0020	0.000	1	106.0020	0.000	1	105.9435	0.007	2	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]C[6a]H)(O)	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]C[6a]H)(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,5,6]C[6]O)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,3|C<3>,6|H<1>}	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	106.6686	0.359	7	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(COO)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CC)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(COO)(H){1|C<3>,2|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CC)(C[5]C[5]O){2|C<3>,4|H<1>}	106.5480	0.000	1	106.5480	0.000	1	106.6550	0.023	2	106.6686	0.359	7	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(COO)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CC)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(COO)(H){1|C<3>,2|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CC)(C[5]C[5]O){1|C<3>,5|H<1>}	106.7620	0.000	1	106.7620	0.000	1	106.6550	0.023	2	106.6686	0.359	7	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(COO)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(COO)(H){2|C<4>,3|C<3>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]O){4|C<3>,6|H<1>}	105.9050	0.191	2	105.9050	0.036	2	105.9050	0.036	2	106.6686	0.359	7	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(NCH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(NCH)(H){1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O){1|N<3>,7|H<1>}	107.4210	0.000	1	107.4210	0.000	1	107.1715	0.125	2	106.6686	0.359	7	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(NCH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(NCH)(H){1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|N<3>,7|H<1>}	106.9220	0.000	1	106.9220	0.000	1	107.1715	0.125	2	106.6686	0.359	7	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:2:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-3:O-2:	C[3x5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CO)(O)	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(OH)	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CO)(O){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(OH){1|C<3>,1|O<2>,2|C<4>}	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|O<2>,4|H<1>}	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:3:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(COO)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]O){4|C<3>,4|H<1>}	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:4:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]C)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]C)(O){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O){1|C<4>,3|C<3>,5|H<1>}	107.7770	0.000	1	107.7770	0.000	1	107.7770	0.000	1	107.7770	0.000	1	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:4:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|C<4>,6|H<1>}	106.6810	0.000	1	106.6810	0.000	1	106.1865	0.489	2	106.1865	0.489	2	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:4:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CH3)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CH3)(H){1|C<4>,3|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|C<4>,6|H<1>}	105.6920	0.000	1	105.6920	0.000	1	106.1865	0.489	2	106.1865	0.489	2	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:4:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H){1|C<3>,2|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>}	107.2870	0.000	1	107.2870	0.000	1	107.1800	0.023	2	108.0357	2.208	3	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:4:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|O<2>,5|H<1>}	107.0730	0.000	1	107.0730	0.000	1	107.1800	0.023	2	108.0357	2.208	3	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:4:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HN)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HN)(H){1|H<1>,2|C<4>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	108.0357	2.208	3	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:4:3:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:N-3:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CN)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(NCH)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CN)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(NCH){1|C<4>,3|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	105.2460	0.000	1	105.2460	0.000	1	105.2460	0.000	1	105.2460	0.000	1	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:4:3:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[5a]CH)(COO)	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[5a]CH)(COO){1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	108.8918	0.350	4	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:4:3:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CCHH)(COO)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CCHH)(COO){1|H<1>,2|C<4>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	109.5380	0.000	1	109.5380	0.000	1	108.9075	0.795	2	108.8918	0.350	4	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:4:3:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]CH)(COO)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]CH)(COO){1|H<1>,2|C<4>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	108.2770	0.000	1	108.2770	0.000	1	108.9075	0.795	2	108.8918	0.350	4	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:4:3:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:N-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CN)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HH)(NCH)	N[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CN)(O){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HH)(NCH){1|C<4>,1|H<1>,1|S<2>}	N[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|N<3>,4|H<1>}	109.2320	0.000	1	109.2320	0.000	1	109.2320	0.000	1	108.8918	0.350	4	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:2:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:N-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS)	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]N[5,5]N)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6,6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	107.9975	0.658	2	107.9975	0.433	2	108.1600	0.128	8	108.1600	0.128	8	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:2:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:N-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.4250	0.000	1	108.4120	0.001	3	108.1600	0.128	8	108.1600	0.128	8	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:2:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:N-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.4055	0.036	2	108.4120	0.001	3	108.1600	0.128	8	108.1600	0.128	8	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:2:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:N-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.3420	0.000	1	108.3420	0.000	1	108.1600	0.128	8	108.1600	0.128	8	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:2:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:N-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5]N)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5]N){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	107.8430	0.000	1	107.8535	0.000	2	108.1600	0.128	8	108.1600	0.128	8	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	3:4:2:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:N-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5]N)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5]N){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	107.8640	0.000	1	107.8535	0.000	2	108.1600	0.128	8	108.1600	0.128	8	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,5]	4:3:1:	3:3:2:1:	4:3:3:	C[5]-4:N[5,5]-3:O-1:	C[5]-3:C[6a]-3:S[5]-2:H-1:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5](C[5]C[6a]S[5]H)(N[5,5]C[5,5]2)(O)	C[5](C[5]N[5,5]O)(C[6a]C[6a]2)(S[5]C[5,5])(H)	N[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]S[5])(C[5]C[5]O)	C[5](C[5]C[6a]S[5]H)(N[5,5]C[5,5]2)(O){2|C<4>,4|C<3>}	C[5](C[5]N[5,5]O)(C[6a]C[6a]2)(S[5]C[5,5])(H){1|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]S[5])(C[5]C[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	110.4890	0.000	1	110.4890	0.000	1	110.4890	0.000	1	110.4890	0.000	1	106.9675	1.468	90	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	2:3:3:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	O[5]-2:C[5]-3:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]O[5]CH)(O)	C[5](O[5]C[5,6,6])(C[5]N[5,6]O)(CC[6a]O)(H)	N[5,6](C[5,6,6]C[6,6]N[6]O[5])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]O[5]CH)(O){1|N<3>,2|C<4>,2|H<1>}	C[5](O[5]C[5,6,6])(C[5]N[5,6]O)(CC[6a]O)(H){1|N<3>,2|C<4>}	N[5,6](C[5,6,6]C[6,6]N[6]O[5])(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	105.0580	0.000	1	105.0580	0.000	1	105.0580	0.000	1	105.0580	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:2:1:1:	3:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5,6]-3:N[6]-3:C[5]-3:	C[5](N[5,6]C[5,6]N[6])(C[5]S[5]HH)(O)	C[5](C[5]N[5,6]O)(S[5]C[5,6])(H)2	N[5,6](C[5,6]N[6]S[5])(N[6]C[5,6]H)(C[5]C[5]O)	C[5](N[5,6]C[5,6]N[6])(C[5]S[5]HH)(O){1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]N[5,6]O)(S[5]C[5,6])(H)2{1|N<2>,1|N<3>}	N[5,6](C[5,6]N[6]S[5])(N[6]C[5,6]H)(C[5]C[5]O){1|C<4>,1|N<3>,3|H<1>}	110.5000	0.000	1	110.5000	0.000	1	110.5000	0.000	1	110.5000	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:2:1:1:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5](N[5,6]C[5,6]2)(C[5]S[5]HH)(O)	C[5](C[5]N[5,6]O)(S[5]C[5,6])(H)2	N[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]N[6]S[5])(C[5]C[5]O)	C[5](N[5,6]C[5,6]2)(C[5]S[5]HH)(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]N[5,6]O)(S[5]C[5,6])(H)2{1|C<4>,1|N<2>}	N[5,6](C[5,6]C[5,6]N[5]H)(C[5,6]N[6]S[5])(C[5]C[5]O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	112.1910	0.000	1	112.1910	0.000	1	112.1910	0.000	1	112.1910	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:2:4:3:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:N-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CN)(O)	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH)	N[5,6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CN)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH){1|O<2>,2|C<4>}	N[5,6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|N<3>}	107.7660	0.414	2	107.7660	0.172	2	107.7660	0.172	2	107.7660	0.172	2	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:2:4:4:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-3:N[5]-2:C-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]CC)(O)	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CH3)2	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]CC)(O){1|C<3>,3|C<4>}	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CH3)2{2|C<4>}	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<4>}	105.4090	0.000	1	105.4090	0.000	1	105.4090	0.000	1	105.4090	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	107.6520	0.000	1	107.6520	0.000	1	107.6520	0.000	1	107.6520	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:3:1:1:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]HH)(O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(H)2	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]HH)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<4>,3|C<3>,4|H<1>}	107.5665	0.101	2	107.5665	0.010	2	107.5665	0.010	2	107.5665	0.010	2	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-3:S[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(O)	C[5](C[5]N[5,6]O)(S[5]C[5,6]O)(H)2	N[5,6](C[5,6]C[6,6a]S[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]N[5,6]O)(S[5]C[5,6]O)(H)2{1|C<3>,2|C<4>}	N[5,6](C[5,6]C[6,6a]S[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	110.8260	0.000	1	110.8260	0.000	1	110.7747	0.002	3	110.7747	0.002	3	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-3:S[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(O)	C[5](C[5]N[5,6]O)(S[5]C[5,6]O)(H)2	N[5,6](C[5,6]C[6,6a]S[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]N[5,6]O)(S[5]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[6,6a]S[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	110.7490	0.000	2	110.7490	0.000	2	110.7747	0.002	3	110.7747	0.002	3	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:3:2:2:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CO)(O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CC)(OH)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CO)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CC)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:3:3:1:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	N[5,5]-3:C[5]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]C[6a]H)(O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(C[6a]C[6a]2)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]C[6a]H)(O){1|C<4>,1|H<1>,5|C<3>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	108.6135	0.233	2	108.6135	0.054	2	108.6135	0.054	2	108.6135	0.054	2	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:3:4:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H)	N[5,6](C[5,6]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H){1|C<4>,1|N<3>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	108.4580	0.000	1	108.4580	0.000	1	108.4580	0.000	1	108.4580	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:3:4:1:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	109.0620	0.000	1	109.0620	0.000	1	108.3857	0.570	7	108.3857	0.570	7	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:3:4:1:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	108.2390	0.000	1	108.2390	0.000	1	108.3857	0.570	7	108.3857	0.570	7	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:3:4:1:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	108.1233	0.717	3	107.9925	0.411	4	108.3857	0.570	7	108.3857	0.570	7	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:3:4:1:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	107.6000	0.000	1	107.9925	0.411	4	108.3857	0.570	7	108.3857	0.570	7	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:3:4:1:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CH3)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	109.4290	0.000	1	109.4290	0.000	1	108.3857	0.570	7	108.3857	0.570	7	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	3:3:4:3:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CN)(O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CHHN)(NCH)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CN)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CHHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.3080	0.000	1	107.3080	0.000	1	107.3080	0.000	1	107.3080	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{1|C<4>,3|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	105.9470	0.000	1	106.1350	0.027	3	106.2438	0.065	4	106.3902	0.121	6	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{1|C<4>,3|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	106.2290	0.013	2	106.1350	0.027	3	106.2438	0.065	4	106.3902	0.121	6	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]N[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]N[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	106.5700	0.000	1	106.5700	0.000	1	106.2438	0.065	4	106.3902	0.121	6	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-3:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]N[5,6]CC)(C[5]N[5,6]O)(H)2	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){2|C<3>,3|C<4>}	C[5](C[5]N[5,6]CC)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	106.9570	0.000	1	106.6830	0.150	2	106.6830	0.150	2	106.3902	0.121	6	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-3:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]N[5,6]CC)(C[5]N[5,6]O)(H)2	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){2|C<3>,3|C<4>}	C[5](C[5]N[5,6]CC)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O){2|C<3>,3|C<4>,3|H<1>}	106.4090	0.000	1	106.6830	0.150	2	106.6830	0.150	2	106.3902	0.121	6	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	109.1280	0.000	1	108.5783	0.566	3	108.5783	0.566	3	107.7811	0.527	15	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){3|C<3>,4|H<1>}	108.3035	0.824	2	108.5783	0.566	3	108.5783	0.566	3	107.7811	0.527	15	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	108.1025	0.373	2	108.1025	0.139	2	107.7967	0.149	9	107.7811	0.527	15	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	107.5410	0.000	1	107.4800	0.057	4	107.7967	0.149	9	107.7811	0.527	15	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|O<2>,3|C<3>,6|H<1>}	107.7890	0.000	1	107.4800	0.057	4	107.7967	0.149	9	107.7811	0.527	15	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O){3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){4|C<3>,5|H<1>}	107.2950	0.058	2	107.4800	0.057	4	107.7967	0.149	9	107.7811	0.527	15	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O){3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O){1|N<3>,3|C<3>,5|H<1>}	107.9840	0.000	1	108.1455	0.052	2	107.7967	0.149	9	107.7811	0.527	15	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O){3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O){4|C<3>,5|H<1>}	108.3070	0.000	1	108.1455	0.052	2	107.7967	0.149	9	107.7811	0.527	15	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5a,6]C[5]C)(C[5]C[5]O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5a,6]C[5]C)(C[5]C[5]O){4|C<3>,5|H<1>}	107.7540	0.000	1	107.7540	0.000	1	107.7967	0.149	9	107.7811	0.527	15	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2{2|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	106.6690	0.000	1	106.6690	0.000	1	106.9373	0.500	3	107.7811	0.527	15	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{2|C<3>,2|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	106.4040	0.000	1	106.4040	0.000	1	106.9373	0.500	3	107.7811	0.527	15	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{2|C<3>,2|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|S<2>,2|C<3>,6|H<1>}	107.7390	0.000	1	107.7390	0.000	1	106.9373	0.500	3	107.7811	0.527	15	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]O)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]C[5,5]HH)(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]N[5,6]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<2>,3|H<1>,5|C<3>}	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	107.6436	0.084	5	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	107.6010	0.000	1	107.6010	0.000	1	107.5940	0.095	4	107.6436	0.084	5	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	107.5917	0.378	3	107.5917	0.143	3	107.5940	0.095	4	107.6436	0.084	5	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[3x5,6]-4:C[5]-3:H-1:H-1:	C[3x5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(O)	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]O)(H)2	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5,6a])(C[5]N[5,6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|H<1>,5|C<4>}	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,5,6]-4:C[5]-3:Cl-1:Cl-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]Cl2)(O)	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]O)(Cl)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]Cl2)(O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,6,6]C[5,6a]C[5,6])(C[5]N[5,6]O)(Cl)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	104.7690	0.000	1	104.7690	0.000	1	104.7690	0.000	1	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]O)(H)2	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5]N[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|C<4>,4|H<1>}	109.3145	0.028	2	109.3145	0.001	2	109.3145	0.001	2	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5,6,6]C[5,6a]Cl)(C[5]N[5,6]O)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(O){1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]Cl)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|Cl<1>,3|C<3>,3|C<4>,4|H<1>}	108.6000	0.000	1	108.6000	0.000	1	109.1753	0.168	11	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,3|C<4>,5|H<1>}	108.9360	0.440	3	108.9360	0.194	3	109.1753	0.168	11	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]O)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	109.3600	0.304	7	109.3600	0.092	7	109.1753	0.168	11	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	109.5260	0.000	1	109.5260	0.000	1	109.7580	0.108	2	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2	N[5,6](C[5,5,6]C[5a,6]C[5,5]C[5])(C[6]C[6]CH)(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6]C[5a,6]C[5,5]C[5])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	109.9900	0.000	1	109.9900	0.000	1	109.7580	0.108	2	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[5]-3:	C[5](N[5,6]C[5,5,6]C[5,6,6])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5]O[6])(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[5,6,6])(C[5]C[5,5]HH)(O){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5]O[6])(C[5]C[5]O){1|C<3>,5|C<4>,7|H<1>}	108.8445	0.211	2	108.8445	0.045	2	108.8445	0.045	2	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]N[5])(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,3|C<3>,4|H<1>}	107.9350	0.000	1	107.9350	0.000	1	107.9350	0.000	1	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[3,5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[3,5,6,6]C[6])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[3,5,6,6]C[6]C)(C[5]N[5,6]O)(H)2	N[5,6](C[3,5,6,6]C[3,6,6]C[5,6]C[3])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[3,5,6,6]C[6])(C[5]C[5,6]HH)(O){2|H<1>,5|C<4>}	C[5](C[5,6]C[3,5,6,6]C[6]C)(C[5]N[5,6]O)(H)2{2|H<1>,4|C<4>}	N[5,6](C[3,5,6,6]C[3,6,6]C[5,6]C[3])(C[6]C[6]HH)(C[5]C[5]O){1|Cl<1>,4|C<4>,5|H<1>}	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,7|H<1>}	108.1730	0.000	1	108.1730	0.000	1	108.1322	0.051	4	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,7|H<1>}	107.9700	0.132	2	108.1187	0.075	3	108.1322	0.051	4	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,7|H<1>}	108.4160	0.000	1	108.1187	0.075	3	108.1322	0.051	4	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6,6]C[6a]H)(C[5]N[5,6]O)(H)2{2|C<4>,3|C<3>}	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O){1|C<4>,4|H<1>,5|C<3>}	107.2980	0.000	1	107.2980	0.000	1	107.6145	0.200	2	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]O)(H)2{3|C<4>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){3|C<4>,9|H<1>}	107.9310	0.000	1	107.9310	0.000	1	107.6145	0.200	2	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	107.8285	0.062	2	107.8285	0.004	2	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,5|H<1>}	106.8550	0.000	1	106.8550	0.000	1	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]CO)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]CO)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	107.9897	0.258	3	107.9897	0.067	3	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	106.6870	0.000	1	106.6870	0.000	1	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	108.4110	0.000	1	108.4110	0.000	1	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{3|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O){2|C<4>,7|H<1>}	108.2560	0.730	2	108.2560	0.533	2	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<3>,1|O<2>,7|H<1>}	107.7940	0.000	1	107.9498	0.236	6	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<4>,1|O<2>,7|H<1>}	107.4395	0.008	2	107.9498	0.236	6	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<4>,2|O<2>,6|H<1>}	108.5750	0.000	1	107.9498	0.236	6	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|O<2>,2|C<4>,6|H<1>}	108.2255	0.306	2	107.9498	0.236	6	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|C<3>,1|O<2>,1|S<2>,5|H<1>}	108.0090	0.000	1	108.3625	0.303	11	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	108.8150	0.461	4	108.3625	0.303	11	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	107.9677	0.660	3	108.3625	0.303	11	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	108.2720	0.209	3	108.3625	0.303	11	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HO)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HO)(C[5]C[5]O){2|C<3>,6|H<1>}	108.1630	0.000	1	108.1630	0.000	1	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	107.9613	0.657	3	107.9613	0.431	3	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	108.2235	0.112	2	108.2235	0.013	2	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,8|H<1>}	107.8930	0.000	1	108.2870	0.310	2	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,8|H<1>}	108.6810	0.000	1	108.2870	0.310	2	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<2>,7|H<1>}	108.2810	0.050	3	108.1934	0.119	5	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<4>,6|H<1>}	108.5170	0.000	1	108.1934	0.119	5	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,7|H<1>}	107.6070	0.000	1	108.1934	0.119	5	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<4>}	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	108.7580	0.000	1	108.5600	0.078	2	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<4>}	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	108.3620	0.000	1	108.5600	0.078	2	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[5,5,6]HO)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[5,5,6]HO)(C[5]C[5]O){3|C<4>,4|H<1>}	108.1980	0.701	2	108.1980	0.492	2	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	108.8030	0.102	2	108.8030	0.010	2	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	108.0890	0.000	1	108.0890	0.000	1	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	108.0543	0.730	11	108.0543	0.532	11	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<4>,7|H<1>}	108.1303	0.663	4	108.1303	0.439	4	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,2|C<4>}	N[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	108.5117	0.125	3	108.5117	0.016	3	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6,6a]C[6a]H)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6,6a]C[6a]H)(C[5]C[5]O){4|H<1>,5|C<3>}	107.7690	0.000	1	107.7690	0.000	1	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	108.1800	0.000	1	108.1800	0.000	1	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[6a]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>}	N[5,6](C[5,6]C[6a]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	107.7080	0.000	1	107.7080	0.000	1	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(H)2{1|C<4>,2|C<3>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	109.1150	0.000	1	109.1150	0.000	1	108.1514	0.321	69	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:S[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[6,6a]C[5]C)(S[6]O[6]OO)(C[5]C[5]O)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]C)(S[6]O[6]OO)(C[5]C[5]O){3|C<3>,3|H<1>}	106.8410	0.000	1	106.8410	0.000	1	106.8410	0.000	1	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|O<1>,4|C<3>,4|H<1>}	107.2070	0.000	1	107.2070	0.000	1	107.2070	0.000	1	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:S-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(S)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]S)(H)2	N[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]S)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(S){3|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]S)(H)2{3|C<4>}	N[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]S){10|H<1>,2|C<4>}	107.7805	0.378	2	107.7805	0.143	2	107.7805	0.143	2	108.2464	0.597	100	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:2:1:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]HO)(O)	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]N[5,6]O)(OC)(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]HO)(O){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]N[5,6]O)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:2:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HO)(O)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(OH)(H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HO)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(OH)(H){1|N<3>,2|C<3>,2|C<4>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	109.4472	0.565	5	109.4472	0.320	5	109.4472	0.320	5	109.2885	0.407	6	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:2:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HO)(O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(OH)(H)	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HO)(O){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(OH)(H){2|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<4>,8|H<1>}	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	109.2885	0.407	6	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:3:1:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]C[5]N[5]H)(O)	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H)	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]C[5]N[5]H)(O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5]O){1|N<2>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	107.2680	0.000	1	107.2680	0.000	1	107.2680	0.000	1	107.2680	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:3:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(CCH)(H)	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	107.7890	0.710	3	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:3:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HN)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(NCS)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HN)(O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(NCS)(H){1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	106.8720	0.000	1	106.8720	0.000	1	106.8720	0.000	1	107.7890	0.710	3	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:3:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(O){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(N[5]C[5]2)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	107.7890	0.710	3	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:3:2:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a]O)(O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH)	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a]O)(O){3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:4:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CCHH)(H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|C<4>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:4:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(O){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){4|H<1>,5|C<4>}	107.7190	0.000	1	107.7190	0.000	1	107.5505	0.057	2	107.9554	0.566	8	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:4:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(O){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){4|H<1>,5|C<4>}	107.3820	0.000	1	107.3820	0.000	1	107.5505	0.057	2	107.9554	0.566	8	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:4:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6a]C[5]O[6])(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5]CH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6a]C[5]O[6])(C[5]C[5]O){3|C<3>,4|C<4>,5|H<1>}	108.4700	0.045	2	108.4700	0.002	2	108.4700	0.002	2	107.9554	0.566	8	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:4:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H)	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]CH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]O){2|C<3>,4|C<4>,6|H<1>}	107.0780	0.000	1	107.0780	0.000	1	107.0780	0.000	1	107.9554	0.566	8	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:4:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CCHH)(H)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CCHH)(H){1|C<4>,2|C<3>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	107.9920	0.000	1	107.9920	0.000	1	108.6395	0.839	2	107.9554	0.566	8	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:4:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H)	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,5|H<1>}	109.2870	0.000	1	109.2870	0.000	1	108.6395	0.839	2	107.9554	0.566	8	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:4:1:	4:4:3:	N[5,6]-3:C[5]-4:S-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(S)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]S)(CCHH)(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]S)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(S){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]S)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]S){4|H<1>,5|C<4>}	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	107.9554	0.566	8	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:4:3:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(CHHS)(COO)	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]O)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(O){1|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(CHHS)(COO){1|C<2>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:4:3:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(COO)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,1|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|H<1>,5|C<4>}	107.9125	0.896	2	107.9125	0.803	2	107.9428	0.205	5	107.9428	0.205	5	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:4:3:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6,6]C[6,6]C)(C[5]N[5,6]O)(CCHH)(COO)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,1|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	107.9340	0.000	1	107.9340	0.000	1	107.9428	0.205	5	107.9428	0.205	5	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:4:3:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(COO)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|H<1>,4|C<4>}	108.0560	0.000	1	107.9775	0.012	2	107.9428	0.205	5	107.9428	0.205	5	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:4:3:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(COO)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O){3|H<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|H<1>,5|C<4>}	107.8990	0.000	1	107.9775	0.012	2	107.9428	0.205	5	107.9428	0.205	5	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:4:4:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	C[4,5]-4:C[5]-3:C-4:C-4:	C[4,5,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[4,5,6]C[6,6a])(C[5]C[4,5]CC)(O)	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]N[5,6]O)(CH3)2	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6]C[4,5,6]C[6,6a])(C[5]C[4,5]CC)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]N[5,6]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<3>,2|H<1>,5|C<4>}	108.2560	0.049	2	108.2560	0.002	2	108.2560	0.002	2	108.2560	0.002	2	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:3:	3:3:3:3:	3:3:3:	N[5,6]-3:C[5]-4:C-3:	C[5]-3:C[5]-3:C-3:C-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(CCC)	C[5](C[5]C[5,6]C)(C[5]N[5,6]C)(CCC)(COO)	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]C)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(CCC){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6]C)(C[5]N[5,6]C)(CCC)(COO){1|C<3>,1|N<3>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]C)(C[6]C[6]O){2|C<4>,5|C<3>}	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:3:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CC[6a]H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5,6]C)(H)2	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CC[6a]H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[5,6]C)(H)2{2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,4|H<1>}	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:4:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C)	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]HH)(CH3){1|C<3>,1|N<3>,4|C<4>}	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2{1|B<4>,1|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	112.7640	0.000	1	112.7640	0.000	1	112.7640	0.000	1	112.7640	0.000	1	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:4:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:B[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2	N[5,6](C[5,6]C[5]C[6]H)(B[6]N[5a,6]CC)(C[5]C[5]C)	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,5|C<4>}	C[5](C[5]C[5,6]CC)(C[5]N[5,6]C)(H)2{1|B<4>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(B[6]N[5a,6]CC)(C[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	113.1555	0.005	2	113.1555	0.000	2	113.1555	0.000	2	113.1555	0.000	2	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:4:	4:3:4:4:	3:4:3:	N[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6]-3:B[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C)	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2{1|B<4>,1|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]CC)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	113.0600	0.000	1	113.0600	0.000	1	112.5590	0.502	2	112.5590	0.502	2	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5,6]	3:4:4:	4:3:4:4:	3:4:3:	N[5,6]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5,6]-3:B[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C)	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2{1|B<4>,1|C<3>}	N[5,6](C[5,6]C[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5]C){2|C<3>,2|C<4>,3|H<1>}	112.0580	0.000	1	112.0580	0.000	1	112.5590	0.502	2	112.5590	0.502	2	108.2964	1.550	186	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:3:4:	3:4:3:1:	4:3:1:	C[6a]-3:N[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5,6]O)(C[5]C[5]CH)	C[5](C[5]C[6a]N[5])(C[5]C[5,6]HH)(COO)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(N[5]C[5,6]O)(C[5]C[5]CH){4|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5,6]HH)(COO)(H){1|O<1>,4|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(O){5|C<3>,5|H<1>}	110.3210	0.000	1	110.3210	0.000	1	110.3210	0.000	1	110.3210	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:3:4:	3:4:4:4:	3:3:4:	Si[6]-3:N[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](Si[6]C[5,6]C[6])(N[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]Si[6]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]Si[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](Si[6]C[5,6]C[6])(N[5]C[6a]C[5])(C[5]C[5]CC){1|N<3>,3|C<3>,3|H<1>,5|C<4>}	C[5](C[5]Si[6]N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,4|C<4>}	N[5](C[5]Si[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,6|C<4>}	106.2770	0.000	1	106.2770	0.000	1	106.2770	0.000	1	106.2770	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	2:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	O[5]-2:C[5]-3:H-1:H-1:	C[5,6]-4:C[5a]-3:C[5]-3:	C[5](N[5]C[5,6]C[5a])(C[5]O[5]HH)(O)	C[5](O[5]C[5,6])(C[5]N[5]O)(H)2	N[5](C[5,6]C[6]2O[5])(C[5a]N[5a]2)(C[5]C[5]O)	C[5](N[5]C[5,6]C[5a])(C[5]O[5]HH)(O){1|N<2>,1|N<3>,2|C<3>}	C[5](O[5]C[5,6])(C[5]N[5]O)(H)2{3|C<3>}	N[5](C[5,6]C[6]2O[5])(C[5a]N[5a]2)(C[5]C[5]O){1|N<2>,4|C<3>,4|H<1>}	106.0470	0.000	1	106.0470	0.000	1	106.0470	0.000	1	110.5383	4.356	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	2:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	S[5]-2:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:N-3:	C[5](N[5]C[5,5]N)(C[5]S[5]HH)(O)	C[5](S[5]C[5,5])(C[5]N[5]O)(H)2	N[5](C[5,5]C[5]2S[5])(C[5]C[5]O)(NCH)	C[5](N[5]C[5,5]N)(C[5]S[5]HH)(O){2|C<4>}	C[5](S[5]C[5,5])(C[5]N[5]O)(H)2{1|N<3>,2|C<4>}	N[5](C[5,5]C[5]2S[5])(C[5]C[5]O)(NCH){2|C<4>,6|H<1>}	110.9990	0.000	1	110.9990	0.000	1	110.9990	0.000	1	110.5383	4.356	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	2:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	S[5]-2:C[5]-3:H-1:H-1:	C[5,5]-4:C[5a]-3:C[5]-3:	C[5](N[5]C[5,5]C[5a])(C[5]S[5]HH)(O)	C[5](S[5]C[5,5])(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5a]C[5a]2)(C[5]C[5]O)	C[5](N[5]C[5,5]C[5a])(C[5]S[5]HH)(O){4|C<3>}	C[5](S[5]C[5,5])(C[5]N[5]O)(H)2{3|C<3>}	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5a]C[5a]2)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|N<3>}	111.7640	0.000	1	111.7640	0.000	1	111.7640	0.000	1	110.5383	4.356	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	2:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	S[5]-2:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:N-3:	C[5](N[5]C[5,6]N)(C[5]S[5]HH)(O)	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(NCH)	C[5](N[5]C[5,6]N)(C[5]S[5]HH)(O){2|C<4>}	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2{1|N<3>,2|C<4>}	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(NCH){2|C<4>,6|H<1>}	110.9287	0.749	3	110.9287	0.561	3	110.9287	0.561	3	110.5383	4.356	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	2:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	S[5]-2:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]C[6a])(C[5]S[5]HH)(O)	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2	N[5](C[5,6]C[6]2S[5])(C[6a]N[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6]C[6a])(C[5]S[5]HH)(O){2|C<4>,2|N<2>}	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	N[5](C[5,6]C[6]2S[5])(C[6a]N[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	112.1720	0.000	1	112.1720	0.000	1	112.1720	0.000	1	110.5383	4.356	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	2:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	S[5]-2:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)(C[5]S[5]HH)(O)	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH)	C[5](N[5]C[5,6]C)(C[5]S[5]HH)(O){2|C<4>}	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2{3|C<4>}	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	112.3440	0.000	1	112.3440	0.000	1	111.9625	0.291	2	111.9625	0.291	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	2:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	S[5]-2:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)(C[5]S[5]HH)(O)	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CC[6a]HH)	C[5](N[5]C[5,6]C)(C[5]S[5]HH)(O){2|C<4>}	C[5](S[5]C[5,6])(C[5]N[5]O)(H)2{3|C<4>}	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CC[6a]HH){2|C<4>,6|H<1>}	111.5810	0.000	1	111.5810	0.000	1	111.9625	0.291	2	111.9625	0.291	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	2:3:4:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	S[5]-2:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:N-3:	C[5](N[5]C[5,6]N)(C[5]S[5]CH)(O)	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(H)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(NCH)	C[5](N[5]C[5,6]N)(C[5]S[5]CH)(O){2|C<4>}	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(H){1|N<3>,2|C<4>}	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(NCH){3|C<4>,5|H<1>}	110.5170	0.000	1	110.5170	0.000	1	110.5170	0.000	1	110.5170	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	2:3:4:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	O[5]-2:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(O)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H)	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(O){1|C<4>,1|O<2>}	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H){1|O<2>,2|C<4>}	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	106.4100	0.000	1	106.4100	0.000	1	106.4100	0.000	1	106.4100	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	2:3:4:2:	4:3:4:	N[5]-3:C[5]-4:O-1:	S[5]-2:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)(C[5]S[5]CO)(O)	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(OH)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH)	C[5](N[5]C[5,6]C)(C[5]S[5]CO)(O){2|C<4>}	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(OH){3|C<4>}	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH){1|O<2>,3|C<4>,4|H<1>}	113.8055	0.182	2	113.8055	0.033	2	113.8055	0.033	2	113.8055	0.033	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	2:3:4:4:	4:3:2:	N[5]-3:C[5]-4:O-1:	O[5]-2:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:O-2:	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]O)(OC)	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O){1|C<3>,1|C<4>}	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]O)(OC){2|C<3>,2|O<2>,3|C<4>}	105.6145	0.074	2	105.6145	0.006	2	105.8697	0.127	4	105.8697	0.127	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	2:3:4:4:	4:3:2:	N[5]-3:C[5]-4:O-1:	O[5]-2:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:O-2:	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OC)	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O){2|C<3>}	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|O<2>,2|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OC){1|O<2>,2|C<4>,3|C<3>}	105.8840	0.000	1	105.8840	0.000	1	105.8697	0.127	4	105.8697	0.127	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	2:3:4:4:	4:3:2:	N[5]-3:C[5]-4:O-1:	O[5]-2:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:O-2:	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OH)	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O){1|C<3>,1|C<4>}	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	106.3660	0.000	1	106.3660	0.000	1	105.8697	0.127	4	105.8697	0.127	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(O)	C[5](C[5]N[5]O)(N[5]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(O){1|N<3>,2|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(H)2{1|C<3>,1|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N){2|C<3>,4|H<1>}	104.8388	0.475	4	104.8388	0.225	4	104.8388	0.225	4	109.9455	7.669	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]C)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){3|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]C){2|C<3>,4|H<1>}	110.6008	0.734	4	110.6008	0.539	4	111.3073	0.373	15	109.9455	7.669	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|N<2>,2|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|N<2>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N){1|Cl<1>,2|C<3>,3|H<1>}	111.6320	0.000	1	111.6270	0.098	8	111.3073	0.373	15	109.9455	7.669	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|N<2>,2|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|N<2>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N){1|N<3>,2|C<3>,3|H<1>}	111.7440	0.000	1	111.6270	0.098	8	111.3073	0.373	15	109.9455	7.669	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|N<2>,2|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|N<2>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N){2|C<3>,4|H<1>}	111.6067	0.367	6	111.6270	0.098	8	111.3073	0.373	15	109.9455	7.669	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|S<1>,2|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){1|C<4>,2|C<3>,3|H<1>}	111.6190	0.000	1	111.3970	0.040	3	111.3073	0.373	15	109.9455	7.669	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|S<1>,2|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|S<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){2|C<3>,4|H<1>}	111.2860	0.083	2	111.3970	0.040	3	111.3073	0.373	15	109.9455	7.669	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[5a]C[5])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]S[5]H)(C[5]C[5]O)	C[5](N[5]C[5a]C[5])(C[5]S[5]HH)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]S[5]H)(C[5]C[5]O){1|N<2>,2|H<1>,3|C<3>}	111.7218	0.564	8	111.7218	0.318	8	111.7218	0.318	8	112.0010	0.528	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]O){2|C<3>,4|H<1>}	112.3880	0.037	2	112.3880	0.001	2	112.7457	0.384	3	112.0010	0.528	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]S[5]H)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]S[5]H)(C[5]C[5]O){3|H<1>,4|C<3>}	113.4610	0.000	1	113.4610	0.000	1	112.7457	0.384	3	112.0010	0.528	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-2:H-1:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(O)	C[5](C[5]N[5]O)(N[5]C[5])(H)2	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(O){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]N[5]O)(N[5]C[5])(H)2{1|C<4>,1|N<3>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N){2|C<4>,6|H<1>}	104.5900	0.000	1	104.5900	0.000	1	104.5900	0.000	1	111.4405	3.638	16	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5a]-3:C[5]-3:	C[5](N[5]C[5a]C[5])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[6a]S[5]H)(C[5a]C[5a]2)(C[5]C[5]O)	C[5](N[5]C[5a]C[5])(C[5]S[5]HH)(O){1|H<1>,3|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]S[5]H)(C[5a]C[5a]2)(C[5]C[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	111.3295	0.233	2	111.3295	0.054	2	111.3295	0.054	2	111.4405	3.638	16	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|H<1>,3|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	111.2353	0.496	3	112.0201	0.320	12	112.0201	0.320	12	111.4405	3.638	16	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|H<1>,3|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,4|H<1>}	112.2817	0.266	9	112.0201	0.320	12	112.0201	0.320	12	111.4405	3.638	16	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]S[5]S)	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O){1|H<1>,1|S<1>,2|C<4>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<4>,1|S<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]S[5]S){2|C<4>,6|H<1>}	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	111.4405	3.638	16	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:1:1:	4:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O)	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	112.4600	0.837	2	112.4600	0.701	2	112.4600	0.701	2	112.4600	0.701	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:3:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]C[6a])(C[5]C[6a]O[5]H)(O)	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]N[5]O)(H)	N[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6]C[6a])(C[5]C[6a]O[5]H)(O){2|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]N[5]O)(H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,3|C<4>,6|H<1>}	106.4930	0.218	2	106.4930	0.047	2	106.4930	0.047	2	106.4930	0.047	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-2:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O){1|S<2>,2|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(H){1|C<3>,1|S<2>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S){1|C<4>,2|C<3>,3|H<1>}	104.8630	0.000	1	104.8630	0.000	1	104.8630	0.000	1	107.6072	13.258	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CCHN)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(O){1|O<1>,2|C<3>}	C[5](C[5]N[5]O)(O[5]C[5])(CCHN)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	105.4320	0.000	1	105.4320	0.000	1	105.4027	0.119	3	107.6072	13.258	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CC[5]HH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(O){1|O<1>,2|C<3>}	C[5](C[5]N[5]O)(O[5]C[5])(CC[5]HH)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	105.3880	0.486	2	105.3880	0.237	2	105.4027	0.119	3	107.6072	13.258	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N)	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O){1|N<2>,2|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<3>,1|N<2>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N){1|C<4>,2|C<3>,3|H<1>}	112.5670	0.000	1	112.5670	0.000	1	112.2860	0.158	2	107.6072	13.258	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-2:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(CH3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O){1|S<1>,2|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(CH3)(H){1|C<3>,1|S<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){1|C<4>,2|C<3>,3|H<1>}	112.0050	0.000	1	112.0050	0.000	1	112.2860	0.158	2	107.6072	13.258	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:4:3:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(O){1|O<1>,2|C<3>}	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	105.2020	0.000	1	105.2020	0.000	1	105.2020	0.000	1	105.2020	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-2:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|N<3>,2|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2{1|C<3>,1|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N){2|C<3>,2|C<4>,2|H<1>}	105.8150	0.000	1	105.8150	0.000	1	105.8150	0.000	1	105.7343	1.011	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:2:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(O){1|O<1>,2|C<3>}	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	105.6940	1.418	2	105.6940	2.012	2	105.6940	2.012	2	105.7343	1.011	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(O){3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(H)2{3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){3|C<3>,4|H<1>}	104.9985	0.126	4	104.9985	0.016	4	104.9985	0.016	4	104.9985	0.016	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:Cl-1:	N[5]-3:C[5]-3:H-1:H-1:	B[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(Cl)	C[5](N[5]C[6a]B[5])(C[5]N[5]Cl)(H)2	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Cl)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(Cl){4|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]Cl)(H)2{4|C<3>}	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Cl){2|C<4>,2|H<1>,5|C<3>}	112.2250	0.089	2	112.2250	0.008	2	112.2250	0.008	2	107.9527	2.684	20	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:B[5]-3:C[5]-3:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)	C[5](N[5]C[6a]B[5])(C[5]N[5]H)(H)2	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]H)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H){1|Br<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]H)(H)2{1|Br<1>,3|C<3>}	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	107.9527	2.684	20	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]Cl2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]Cl2)(O){2|C<3>,2|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]O){2|Cl<1>,1|H<1>,4|C<3>}	106.3520	0.000	1	106.3520	0.000	1	106.3520	0.000	1	107.9527	2.684	20	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|Cl<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	107.7660	0.151	2	107.4734	0.081	12	107.4734	0.081	12	107.9527	2.684	20	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|Cl<1>,3|H<1>,4|C<3>}	106.8320	0.000	1	107.4734	0.081	12	107.4734	0.081	12	107.9527	2.684	20	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	107.4797	0.189	9	107.4734	0.081	12	107.4734	0.081	12	107.9527	2.684	20	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]2)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,3|C<3>}	C[5](C[5]C[5]2)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,4|H<1>}	107.9380	0.000	1	107.9380	0.000	1	107.6933	0.740	3	107.9527	2.684	20	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|N<3>,3|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<3>,1|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O){3|C<3>,4|H<1>}	106.7370	0.000	1	106.7370	0.000	1	107.6933	0.740	3	107.9527	2.684	20	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,4|H<1>}	108.4050	0.000	1	108.4050	0.000	1	107.6933	0.740	3	107.9527	2.684	20	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	105.9420	0.000	1	105.9420	0.000	1	105.9420	0.000	1	107.9527	2.684	20	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]C[5]O)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(O){1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	107.8860	0.465	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,5|H<1>}	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	107.8860	0.465	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:S[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O)	C[5](C[5]N[5]O)(S[5]C[5]O)(H)2	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(O){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]N[5]O)(S[5]C[5]O)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,4|C<3>,4|H<1>}	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	110.8190	0.161	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	S[5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[5,5]C)(C[5]S[5]HH)(O)	C[5](S[5]C[5,5]O)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5]C[5]O)(COO)	C[5](N[5]C[5,5]C)(C[5]S[5]HH)(O){1|O<1>,2|C<3>}	C[5](S[5]C[5,5]O)(C[5]N[5]O)(H)2{3|C<3>}	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5]C[5]O)(COO){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	110.5350	0.000	1	110.5350	0.000	1	110.5350	0.000	1	110.8190	0.161	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:2:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:N-2:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HN)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HN)(O){1|O<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(NC)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<2>,3|C<3>,3|H<1>}	108.1060	0.000	1	108.1060	0.000	1	108.1060	0.000	1	108.1060	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:2:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:O-2:H-1:	P[4,5]-4:C[5]-3:C-4:	C[5](N[5]P[4,5]C)(C[5]C[5]HO)(O)	C[5](C[5]P[4,5]C)(C[5]N[5]O)(OC)(H)	N[5](P[4,5]C[5]N[4]2)(C[5]C[5]O)(CC3)	C[5](N[5]P[4,5]C)(C[5]C[5]HO)(O){1|C<3>,2|N<3>}	C[5](C[5]P[4,5]C)(C[5]N[5]O)(OC)(H){1|C<4>,2|N<3>}	N[5](P[4,5]C[5]N[4]2)(C[5]C[5]O)(CC3){1|C<3>,1|H<1>,1|O<2>,1|P<3>,2|C<4>}	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:2:2:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-2:O-2:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O){1|C<4>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH){1|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.4620	0.000	1	105.4620	0.000	1	105.4620	0.000	1	105.4620	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:2:2:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OO)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OO){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<2>,1|O<2>,3|H<1>,4|C<3>}	106.8610	0.014	2	106.8610	0.000	2	106.8610	0.000	2	106.8610	0.000	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:2:4:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:O-2:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O){1|C<4>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3){1|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	105.8815	0.265	2	105.8815	0.070	2	105.8815	0.070	2	105.8815	0.070	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:3:2:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:N-3:C-2:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)(CN)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)(CN){1|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	105.1580	0.000	1	105.1580	0.000	1	105.1580	0.000	1	105.1580	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:3:3:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:N-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	105.1920	0.000	1	105.1920	0.000	1	105.5125	0.205	2	105.5125	0.205	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:3:3:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-3:N-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NHO)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NHO){1|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	105.8330	0.000	1	105.8330	0.000	1	105.5125	0.205	2	105.5125	0.205	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:3:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:N-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CN)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CN)(O){2|C<3>,2|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3){1|C<3>,1|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	106.4730	0.000	1	106.4730	0.000	1	106.4730	0.000	1	106.4730	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:1:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:Cl-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]ClC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]ClC)(O){3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	104.6080	0.000	1	104.6080	0.000	1	104.6080	0.000	1	104.6080	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC3)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<4>,2|H<1>,3|C<3>}	108.5730	0.027	2	108.5730	0.001	2	108.7607	0.106	3	108.0328	1.086	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,3|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,3|C<3>,3|H<1>}	109.1360	0.000	1	109.1360	0.000	1	108.7607	0.106	3	108.0328	1.086	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	106.1530	0.000	1	106.1530	0.000	1	106.1530	0.000	1	108.0328	1.086	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	N[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]CH)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]CH)(O){1|N<2>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|N<2>,1|O<1>,2|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	107.7240	0.000	1	107.7240	0.000	1	107.8810	0.049	2	108.0328	1.086	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	N[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]CH)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H)	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]CH)(O){1|N<2>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	108.0380	0.000	1	108.0380	0.000	1	107.8810	0.049	2	108.0328	1.086	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[4]-4:C[5]-3:C[5]-3:	C[5](N[5]C[4]C[5])(C[5]N[5]CH)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H)	N[5](C[4]C[4]2C)(C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[4]C[5])(C[5]N[5]CH)(O){1|C<3>,1|O<1>,3|C<4>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	N[5](C[4]C[4]2C)(C[5]C[5]O)(C[5]N[5]O){3|C<4>,5|H<1>}	106.4930	0.000	1	106.4930	0.000	1	106.4930	0.000	1	109.4400	12.020	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	N[5,5,6]-3:C[5]-3:C-4:H-1:	C[3x5,6]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[3x5,6]C[6a])(C[5]N[5,5,6]CH)(O)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]N[5]O)(CCHH)(H)	N[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[3x5,6]C[6a])(C[5]N[5,5,6]CH)(O){1|C<4>,1|S<2>,3|C<3>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]N[5]O)(CCHH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	N[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[6a]C[6a]2)(C[5]C[5]O){3|C<4>,4|C<3>,4|H<1>}	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	109.4400	12.020	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	S[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O)	C[5](S[5]C[5]Pd)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]C[6]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O){1|Pd<4>,1|H<1>,3|C<3>}	C[5](S[5]C[5]Pd)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,2|C<3>}	N[5](C[5]C[6]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|Pd<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.2600	0.000	1	113.2600	0.000	1	113.2600	0.000	1	109.4400	12.020	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:2:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:O-2:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O){1|C<4>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH){1|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	106.3280	0.000	1	106.3280	0.000	1	106.3280	0.000	1	105.5555	0.337	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:2:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:S-2:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CS)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(SC[6a])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CS)(O){3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(SC[6a]){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	105.4710	0.190	2	105.4710	0.036	2	105.2980	0.108	3	105.5555	0.337	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:2:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:S-2:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CS)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CS)(O){1|C<4>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a]){1|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	104.9520	0.000	1	104.9520	0.000	1	105.2980	0.108	3	105.5555	0.337	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:3:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(CC[6a]C)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(CC[6a]C){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	106.2760	0.000	1	106.2760	0.000	1	106.2760	0.000	1	105.5563	0.258	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:3:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:N-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	105.0920	0.000	1	105.0920	0.000	1	105.3163	0.041	3	105.5563	0.258	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:3:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:N-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO){1|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	105.4285	0.084	2	105.4285	0.007	2	105.3163	0.041	3	105.5563	0.258	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:3:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]CH)(COO)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]CH)(COO){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:3:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<4>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	109.1060	0.000	1	109.1060	0.000	1	108.9535	0.047	2	108.9535	0.047	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:3:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<3>,1|C<4>,1|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	108.8010	0.000	1	108.8010	0.000	1	108.9535	0.047	2	108.9535	0.047	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3){3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	105.9970	0.048	3	105.9970	0.002	3	105.7961	0.496	23	105.7961	0.496	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CH3)2{3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	106.7220	0.000	1	106.7220	0.000	1	105.7961	0.496	23	105.7961	0.496	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3){1|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	104.8477	1.148	4	104.8477	1.318	4	105.7961	0.496	23	105.7961	0.496	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH){1|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	106.0290	0.000	1	106.0290	0.000	1	105.7961	0.496	23	105.7961	0.496	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	106.0074	0.372	10	106.0074	0.139	10	105.7961	0.496	23	105.7961	0.496	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	105.7760	0.455	4	105.7760	0.207	4	105.7961	0.496	23	105.7961	0.496	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O){1|N<3>,3|C<3>}	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2{1|P<3>,3|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,1|P<3>,2|C<3>,5|C<4>}	109.8520	0.000	1	109.8520	0.000	1	109.0437	0.491	3	108.2040	1.051	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-3:C[5]-3:C-4:C-4:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O){1|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2{1|C<4>,3|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,5|C<3>}	108.6395	0.035	2	108.6395	0.001	2	109.0437	0.491	3	108.2040	1.051	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	109.3550	0.000	1	108.8148	0.274	4	108.8148	0.274	4	108.2040	1.051	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,5|C<3>}	109.1650	0.000	1	108.8148	0.274	4	108.8148	0.274	4	108.2040	1.051	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	108.4390	0.000	1	108.8148	0.274	4	108.8148	0.274	4	108.2040	1.051	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|O<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	108.3000	0.000	1	108.8148	0.274	4	108.8148	0.274	4	108.2040	1.051	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	108.2040	1.051	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2	N[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2{1|N<2>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	107.8540	0.000	1	107.8540	0.000	1	107.8540	0.000	1	108.2040	1.051	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){4|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)2{2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	107.8640	0.000	1	107.8640	0.000	1	108.9270	2.260	2	108.2040	1.051	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|N<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<3>,1|N<2>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O){1|O<1>,2|C<3>,4|C<4>}	109.9900	0.000	1	109.9900	0.000	1	108.9270	2.260	2	108.2040	1.051	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]O)2(CCCH)(CCHH)	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,3|C<3>}	C[5](C[5]N[5]O)2(CCCH)(CCHH){2|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	107.4360	0.160	2	107.4360	0.026	2	107.4360	0.026	2	108.2040	1.051	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	107.0180	0.000	1	107.0180	0.000	1	106.9338	0.004	4	108.2040	1.051	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	106.9057	0.045	3	106.9057	0.002	3	106.9338	0.004	4	108.2040	1.051	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	106.6940	0.000	1	106.6940	0.000	1	106.6910	0.000	2	106.6910	0.000	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	106.6880	0.000	1	106.6880	0.000	1	106.6910	0.000	2	106.6910	0.000	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)2{1|C<3>,2|C<4>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	110.7520	0.594	2	110.7520	0.353	2	110.7520	0.353	2	109.6890	3.566	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[6]-4:C[5]-3:N[5]-3:	C[5](N[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]O)2(CH3)2	N[5](C[6]C[6]O[6]H)(C[5]C[5]O)(N[5]C[5]H)	C[5](N[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]N[5]O)2(CH3)2{1|C<4>,1|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,4|C<4>}	107.5630	0.000	1	107.5630	0.000	1	107.5630	0.000	1	109.6890	3.566	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CC[6a]HH)	C[5](N[5]C[5,5]C)(C[5]C[5]CC)(O){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2{1|O<2>,2|C<4>}	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	109.7805	0.572	2	109.7805	0.327	2	109.7805	0.327	2	109.7805	0.327	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:4:2:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C-4:N[5]-2:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O){1|S<2>,2|C<3>}	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<3>,1|S<2>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S){1|C<4>,2|C<3>,3|H<1>}	104.4220	0.000	1	104.4220	0.000	1	104.4220	0.000	1	104.4220	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:4:2:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C-4:S[5]-2:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]S[5]CC)(O)	C[5](C[5]N[5]O)(CC[6a]CH)(S[5]C[5])(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	C[5](N[5]C[6a]C[5])(C[5]S[5]CC)(O){1|S<1>,2|C<3>}	C[5](C[5]N[5]O)(CC[6a]CH)(S[5]C[5])(CH3){1|C<3>,1|S<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){2|C<3>,2|C<4>,2|H<1>}	112.7380	0.000	1	112.7380	0.000	1	112.7380	0.000	1	112.7380	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:4:3:4:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]2C)(O)	C[5](C[5]C[6a]N[5])(C[5]C[5]2C)(C[5]N[5]O)(CC[6a]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]2C)(O){1|C<4>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]2C)(C[5]N[5]O)(CC[6a]HH){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	106.7045	0.347	2	106.7045	0.121	2	106.7045	0.121	2	106.7045	0.121	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	3:4:4:2:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:C-4:C-4:N[5]-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(CC[6a]HH)2(N[5]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|N<3>,2|C<3>}	C[5](C[5]N[5]O)(CC[6a]HH)2(N[5]C[5]){1|C<3>,1|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N){2|C<3>,2|C<4>,2|H<1>}	106.8560	0.000	1	106.8560	0.000	1	106.8560	0.000	1	106.8560	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(O){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	107.7092	0.553	5	107.5347	0.427	6	107.7601	0.358	12	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(O){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	106.6620	0.000	1	107.5347	0.427	6	107.7601	0.358	12	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(O){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	108.6440	0.000	1	108.6440	0.000	1	107.7601	0.358	12	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5]2N[5])(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5]2N[5])(C[5]N[5]O)(H)2{1|O<1>,1|S<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.3690	0.000	1	108.3690	0.000	1	107.7601	0.358	12	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(O){1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[5]N[5]O)(H)2{2|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	107.6740	0.457	2	107.6740	0.209	2	107.7601	0.358	12	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(O){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	108.0250	0.000	1	107.7760	0.124	2	107.7601	0.358	12	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(O){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2{1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	107.5270	0.000	1	107.7760	0.124	2	107.7601	0.358	12	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N[3]-3:	C[5](N[5]C[5]N[3])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(N[3]C[3]2)	C[5](N[5]C[5]N[3])(C[5]C[5]HH)(O){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>}	N[5](C[5]C[5]O)2(N[3]C[3]2){2|C<4>,6|H<1>}	107.2470	0.336	5	107.2470	0.113	5	107.2470	0.113	5	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	107.7055	0.325	2	107.7055	0.105	2	108.3448	0.545	5	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5a]C[5a]S[5a])(C[5]C[5]O)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[5a]C[5a]S[5a])(C[5]C[5]O)2{2|C<3>,5|H<1>}	108.7295	0.838	2	108.7295	0.702	2	108.3448	0.545	5	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2	N[5](C[5a]N[5a]S[5a])(C[5]C[5]O)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O){1|H<1>,1|N<2>,1|O<1>,2|S<2>}	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]O)2{1|S<2>,2|C<3>,3|H<1>}	108.8540	0.000	1	108.8540	0.000	1	108.3448	0.545	5	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]C[5]H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	107.7980	0.000	1	107.7980	0.000	1	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	108.7340	0.000	1	107.8587	0.429	7	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	107.6830	0.000	1	107.8587	0.429	7	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,1|S<2>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	108.1630	0.000	1	107.8587	0.429	7	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,4|H<1>}	106.6060	0.000	1	107.8587	0.429	7	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	107.8645	0.237	2	107.8587	0.429	7	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	108.0960	0.000	1	107.8587	0.429	7	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	107.5210	0.006	2	107.5210	0.000	2	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	108.5138	0.780	5	108.3507	0.488	7	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,4|H<1>}	107.9430	0.167	2	108.3507	0.488	7	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	108.0950	0.000	1	107.1700	1.711	2	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	106.2450	0.000	1	107.1700	1.711	2	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]O)2{1|N<3>,2|C<3>,5|H<1>}	107.7375	0.155	2	107.7375	0.024	2	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2{1|N<2>,2|C<3>,5|H<1>}	108.1350	0.191	2	108.0390	0.055	6	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2{3|C<3>,5|H<1>}	107.9910	0.266	4	108.0390	0.055	6	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]O)2{3|C<3>,4|H<1>}	108.0645	1.937	2	108.0645	3.751	2	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<3>,1|N<2>,1|O<2>,5|H<1>}	108.1180	0.243	2	107.9541	0.171	30	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<3>,1|N<2>,6|H<1>}	108.5745	0.317	2	107.9541	0.171	30	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	107.8282	0.420	4	107.9541	0.171	30	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|Cl<1>,2|C<3>,5|H<1>}	107.8410	0.124	2	107.9541	0.171	30	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|F<1>,2|C<3>,5|H<1>}	107.7505	0.172	2	107.9541	0.171	30	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,2|C<3>,5|H<1>}	107.6575	0.210	2	107.9541	0.171	30	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,4|H<1>}	108.1100	0.000	1	107.9541	0.171	30	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,6|H<1>}	107.9545	0.462	15	107.9541	0.171	30	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,2|C<3>,5|H<1>}	108.6050	0.000	1	108.6050	0.000	1	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	108.1280	0.000	1	108.1280	0.000	1	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[6,6]C[5]H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[6,6]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	108.4270	0.000	1	108.4270	0.000	1	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|O<1>,4|C<3>}	C[5](C[5]C[6a]2C[5])(C[5]N[5]O)(H)2{1|O<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	107.3200	0.755	3	107.3200	0.570	3	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	108.1815	0.084	2	108.1815	0.007	2	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|O<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]O)2{1|C<4>,3|C<3>,3|H<1>}	107.1340	0.000	1	107.1340	0.000	1	107.9371	0.343	68	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	106.9570	0.000	1	106.9570	0.000	1	107.2810	0.210	2	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	107.6050	0.000	1	107.6050	0.000	1	107.2810	0.210	2	107.8844	0.373	92	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:F-1:F-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(F)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(F)2{1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	106.8250	0.000	1	106.8250	0.000	1	106.8250	0.000	1	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O){1|C<3>,1|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,4|H<1>}	107.9270	0.000	1	107.9270	0.000	1	107.3050	0.305	3	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(O){1|N<2>,1|S<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,4|H<1>}	106.9940	0.174	2	106.9940	0.030	2	107.3050	0.305	3	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5,5]-4:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(O){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>}	N[5](C[6a]C[6,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]O){2|C<4>,3|C<3>,6|H<1>}	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){2|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,5|H<1>}	108.5930	0.000	1	108.5930	0.000	1	108.0324	0.169	17	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){3|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|F<1>,3|C<3>,3|H<1>}	107.9290	0.836	2	107.9290	0.699	2	108.0324	0.169	17	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O){3|C<3>,5|H<1>}	108.4720	0.000	1	108.4720	0.000	1	108.0324	0.169	17	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){2|C<3>,2|F<1>,4|H<1>}	107.3390	0.000	1	107.3390	0.000	1	108.0324	0.169	17	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	107.6603	0.234	3	107.8858	0.164	5	108.0324	0.169	17	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	108.2240	0.407	2	107.8858	0.164	5	108.0324	0.169	17	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|F<1>,4|H<1>}	108.0700	0.000	1	108.0700	0.000	1	108.0324	0.169	17	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|P<4>,2|C<3>,5|H<1>}	108.4280	0.000	1	108.4280	0.000	1	108.0324	0.169	17	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|H<1>,5|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|O<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){3|C<3>,5|H<1>}	108.0920	0.209	2	108.1180	0.024	3	108.0324	0.169	17	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|H<1>,5|C<3>}	C[5](C[5]C[5a]C[5]H)(C[5]N[5]O)(H)2{1|S<2>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){3|C<3>,5|H<1>}	108.1700	0.000	1	108.1180	0.024	3	108.0324	0.169	17	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){3|C<3>,5|H<1>}	107.9340	0.000	1	107.9340	0.000	1	108.0324	0.169	17	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,5|H<1>}	108.0740	0.000	1	108.0740	0.000	1	108.0324	0.169	17	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:S-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(S)	C[5](C[5]C[5]HH)(C[5]N[5]S)(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]S)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(S){1|C<3>,1|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]S)(H)2{1|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]S){2|C<3>,5|H<1>}	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	107.8829	0.279	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:1:	N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](N[5]C[5,5]O)(C[5]C[5]HH)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5]H)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]H)(O)	C[5](N[5]C[5,5]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5,5]C[5]3)(C[5]C[5]H)(O){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	112.7160	0.000	1	112.7160	0.000	1	112.7160	0.000	1	108.6064	1.385	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(H)	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(H){1|Fe<10>,3|C<4>,6|H<1>}	108.3120	0.000	1	108.3120	0.000	1	108.3977	0.366	9	108.6064	1.385	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	108.5051	0.631	7	108.5051	0.399	7	108.3977	0.366	9	108.6064	1.385	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]O)(H)	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5,5]C[5]3)(C[5]C[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	107.7310	0.000	1	107.7310	0.000	1	108.3977	0.366	9	108.6064	1.385	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H){3|C<4>,7|H<1>}	108.4510	0.132	2	108.4927	0.014	3	108.2877	0.207	7	108.6064	1.385	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H){4|C<4>,6|H<1>}	108.5760	0.000	1	108.4927	0.014	3	108.2877	0.207	7	108.6064	1.385	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)(H)	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(O){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	107.3250	0.000	1	108.1340	0.332	4	108.2877	0.207	7	108.6064	1.385	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)(H)	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(O){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	N[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]O)(H){1|O<2>,2|C<4>,5|H<1>}	108.4037	0.249	3	108.1340	0.332	4	108.2877	0.207	7	108.6064	1.385	17	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5](N[5]C[5,6]O)(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(OC)	C[5](N[5]C[5,6]O)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(OC){1|C<3>,2|C<4>,7|H<1>}	106.7150	0.000	1	106.7150	0.000	1	106.7150	0.000	1	106.7150	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<2>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,3|C<3>,5|H<1>}	108.7680	0.000	1	108.7755	0.000	2	108.7755	0.000	2	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<2>,3|C<3>}	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	108.7830	0.000	1	108.7755	0.000	2	108.7755	0.000	2	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[4]-4:C[5]-3:C[5]-3:	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[4]C[4]2H)(C[5]C[5]O)2	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[4]C[4]2H)(C[5]C[5]O)2{1|C<3>,1|N<3>,1|O<1>,5|H<1>}	107.8020	0.403	2	107.8020	0.162	2	107.8020	0.162	2	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CHO)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2{5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CHO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	107.3090	0.000	1	107.3090	0.000	1	107.5630	0.113	3	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]C)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]C){1|Fe<10>,3|C<4>,6|H<1>}	107.6900	0.361	2	107.6900	0.130	2	107.5630	0.113	3	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,1|O<2>,4|C<3>,7|H<1>}	108.1500	0.000	1	108.1500	0.000	1	108.2267	0.059	6	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(O){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	108.1070	0.000	1	108.2277	0.012	3	108.2267	0.059	6	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(O){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|C<3>,6|H<1>}	108.2880	0.038	2	108.2277	0.012	3	108.2267	0.059	6	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|N<2>,1|O<2>}	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	107.9010	0.000	1	108.2635	0.263	2	108.2267	0.059	6	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|N<3>,1|O<2>}	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,4|C<3>,5|H<1>}	108.6260	0.000	1	108.2635	0.263	2	108.2267	0.059	6	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]C[6a])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6]C[6a])(C[5]C[5]HH)(O){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>}	N[5](C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,6|H<1>}	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){2|O<2>,3|H<1>,5|C<3>}	108.0710	0.000	2	108.0710	0.000	2	107.9883	0.202	6	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	N[5](C[5]C[5a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,4|C<3>,5|H<1>}	107.2070	0.000	1	107.2070	0.000	1	107.9883	0.202	6	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<2>,2|C<3>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,6|H<1>}	108.6080	0.000	1	108.2990	0.191	2	107.9883	0.202	6	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){2|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,6|H<1>}	107.9900	0.000	1	108.2990	0.191	2	107.9883	0.202	6	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(O){3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,6|H<1>}	107.9830	0.000	1	107.9830	0.000	1	107.9883	0.202	6	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6]C[6]2H)(C[5]C[5]O)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)2{2|C<4>,8|H<1>}	108.2970	0.345	2	108.2970	0.119	2	108.2970	0.119	2	108.0952	0.195	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O){1|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	109.3680	0.000	1	109.4267	0.145	4	109.4267	0.145	4	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O){1|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){1|C<3>,4|H<1>,5|C<4>}	109.7760	0.000	1	109.4267	0.145	4	109.4267	0.145	4	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O){1|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	109.6470	0.000	1	109.4267	0.145	4	109.4267	0.145	4	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O)	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,5,6]HH)(O){1|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){2|C<3>,4|C<4>,4|H<1>}	108.9160	0.000	1	109.4267	0.145	4	109.4267	0.145	4	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5]O)(H)2	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HH)(O){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5]O)(H)2{4|C<4>}	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|C<4>,7|H<1>}	108.3930	0.000	1	108.3930	0.000	1	108.3930	0.000	1	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6,6]C)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5]O)(H)2	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH)	C[5](N[5]C[5,6,6]C)(C[5]C[5,6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH){2|C<4>,3|C<3>,4|H<1>}	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CCHH)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(H)2{1|C<4>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CCHH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	108.1130	0.298	2	108.1130	0.089	2	108.3939	0.148	9	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]CH)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{3|C<4>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]CH){1|Fe<10>,3|C<4>,6|H<1>}	108.3263	0.479	3	108.3263	0.229	3	108.3939	0.148	9	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]HH)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{3|C<4>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]HH){1|Fe<10>,3|C<4>,6|H<1>}	108.3290	0.000	1	108.3290	0.000	1	108.3939	0.148	9	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]CH)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]CH){1|C<4>,2|C<3>,6|H<1>}	108.6860	0.000	1	108.6860	0.000	1	108.3939	0.148	9	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]O)(CCHH)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(H)2{3|C<4>}	N[5](C[5,5]C[5]3)(C[5]C[5]O)(CCHH){1|C<2>,1|C<3>,1|O<2>,2|C<4>,5|H<1>}	109.0020	0.000	1	109.0020	0.000	1	108.3939	0.148	9	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HO)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5a]C[5]2)(C[5]C[5]O)(CC[6a]HH)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5,5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	N[5](C[5,5]C[5,5a]C[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	108.3230	0.000	1	108.3230	0.000	1	108.3939	0.148	9	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(H)2	N[5](C[5,6]C[6,6a]2C[5])(C[5]C[5]O)(CH3)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(H)2{1|C<4>,4|C<3>}	N[5](C[5,6]C[6,6a]2C[5])(C[5]C[5]O)(CH3){3|H<1>,5|C<3>}	108.0760	0.000	1	108.0760	0.000	1	108.6409	0.484	7	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(H)2{3|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){2|C<4>,8|H<1>}	109.3417	0.297	3	109.3417	0.088	3	108.6409	0.484	7	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{3|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	108.0260	0.287	2	108.1283	0.073	3	108.6409	0.484	7	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(O){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(H)2{3|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|C<4>,7|H<1>}	108.3330	0.000	1	108.1283	0.073	3	108.6409	0.484	7	108.6720	0.361	22	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:4:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6]-4:C[5]-3:	C[5](N[5]C[5,5]C[6])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2H)(C[5]C[5]O)	C[5](N[5]C[5,5]C[6])(C[5]C[5,5]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,7|H<1>}	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	108.8944	1.938	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[4]-4:C[5]-4:C[5]-3:	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[4]C[4]2H)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	N[5](C[4]C[4]2H)(C[5]C[5]CH)(C[5]C[5]O){2|C<4>,7|H<1>}	108.8230	0.000	1	108.8230	0.000	1	108.8230	0.000	1	108.8944	1.938	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){1|N<3>,2|C<4>,7|H<1>}	111.9230	0.000	1	111.9230	0.000	1	111.9230	0.000	1	108.8944	1.938	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6]-4:C[5]-4:C[5]-3:	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	108.5407	0.462	3	108.5407	0.213	3	108.5407	0.213	3	108.8944	1.938	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	108.0734	0.272	5	108.0734	0.074	5	108.0734	0.074	5	108.8944	1.938	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	4:4:3:	N[5]-3:C[5]-4:O-1:	S[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O)	C[5](S[5]C[5]OO)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O)	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](S[5]C[5]OO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,2|O<1>,6|H<1>}	111.6160	0.000	1	111.6160	0.000	1	111.6160	0.000	1	108.8944	1.938	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:1:1:	6:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:C[5]-4:C[5]-3:	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5]C[5]HH)(O){1|C<6>,4|B<6>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|B<6>,2|H<1>}	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]HH)(C[5]C[5]O){1|C<6>,4|B<6>,9|H<1>}	108.7255	0.121	2	108.7255	0.015	2	108.7255	0.015	2	108.7255	0.015	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:2:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|O<2>,4|H<1>}	107.3450	0.556	2	107.3450	0.309	2	107.3450	0.309	2	107.1050	0.327	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:2:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:S-2:H-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[5a]C[5])(C[5]C[5]HS)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(SH)(H)	N[5](C[5a]N[5a]S[5a])(C[5]C[5]O)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HS)(O){1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(SH)(H){1|C<3>,1|O<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5]O)2{1|S<2>,2|C<3>,3|H<1>}	106.6250	0.000	1	106.6250	0.000	1	106.6250	0.000	1	107.1050	0.327	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:2:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(O)	C[5](C[5]C[5]CC)(C[5]N[5]O)(OC)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]O)(OC)(H){1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	105.4060	0.000	1	105.4060	0.000	1	108.0965	14.478	2	108.0065	5.410	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:2:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H){1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	110.7870	0.000	1	110.7870	0.000	1	108.0965	14.478	2	108.0065	5.410	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:2:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:S-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HS)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(SC)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HS)(O){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(SC)(H){1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|S<2>,2|C<3>,5|H<1>}	107.9165	1.312	2	107.9165	1.721	2	107.9165	1.721	2	108.0065	5.410	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:2:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HO)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(OSi)(H)	N[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HO)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(OSi)(H){1|C<3>,2|C<4>,6|H<1>}	N[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	106.5540	0.000	1	106.5540	0.000	1	106.5540	0.000	1	106.5540	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:2:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HO)(O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5]O)(OH)(H)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HO)(O){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5]O)(OH)(H){2|H<1>,4|C<4>}	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|O<2>,4|C<4>,5|H<1>}	108.2780	0.000	1	108.2780	0.000	1	108.4095	0.035	2	108.4095	0.035	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:2:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:O-2:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HO)(O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5]O)(OH)(H)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HO)(O){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5]O)(OH)(H){2|H<1>,4|C<4>}	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3){1|O<2>,4|C<4>,5|H<1>}	108.5410	0.000	1	108.5410	0.000	1	108.4095	0.035	2	108.4095	0.035	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:2:1:	4:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){2|C<4>,2|O<2>,6|H<1>}	108.9970	0.000	1	108.9970	0.000	1	108.9970	0.000	1	108.9970	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:1:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:F-1:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]2F)(O)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[6a]N[5])(C[5]N[5]O)(F)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]2F)(O){1|N<3>,5|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]C[6a]N[5])(C[5]N[5]O)(F){1|N<3>,1|O<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	105.0610	0.000	1	105.0610	0.000	1	105.0610	0.000	1	105.0610	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O)	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]N[5]O)(H){1|C<3>,1|C<4>,2|O<1>,2|O<2>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	108.2255	0.291	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HN)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HN)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,2|C<3>,5|H<1>}	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	108.2255	0.291	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:S-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HS)(O)	C[5](C[5]C[5]HS)(C[5]N[5]O)(SFe2)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HS)(O){1|H<1>,1|O<1>,1|S<3>,2|C<3>}	C[5](C[5]C[5]HS)(C[5]N[5]O)(SFe2)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|S<3>,4|H<1>}	107.7615	0.093	2	107.7615	0.009	2	107.7615	0.009	2	108.2255	0.291	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){4|C<3>,4|H<1>}	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	107.7520	0.223	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HN)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(NCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HN)(O){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(NCH)(H){1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	107.3520	0.000	1	107.3520	0.000	1	107.3520	0.000	1	107.7520	0.223	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5,6]-4:C[5]-3:	C[5](N[5]C[5,6]C[6a])(C[5]C[5]N[5]H)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(N[5]C[5]2)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5](N[5]C[5,6]C[6a])(C[5]C[5]N[5]H)(O){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(N[5]C[5]2)(H){2|C<4>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,3|C<3>,8|H<1>}	108.0785	0.480	2	108.0785	0.231	2	108.0785	0.231	2	107.7520	0.223	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:1:	4:3:1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6]H)(C[5]C[5]HN)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(NCH)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)	C[5](N[5]C[5,6]H)(C[5]C[5]HN)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5]O)(NCH)(H){1|H<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H){1|N<3>,2|C<4>,7|H<1>}	108.9810	0.000	1	108.9810	0.000	1	108.9810	0.000	1	108.4450	0.575	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:1:	4:3:1:	N[5]-3:C[5]-4:S-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)(C[5]C[5]CH)(S)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(CC[6a]O)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H)	C[5](N[5]C[5,5]H)(C[5]C[5]CH)(S){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(CC[6a]O)(H){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	108.4450	0.575	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H)	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H){1|O<2>,4|C<3>}	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,6|C<3>}	109.8350	0.000	1	109.8350	0.000	1	108.7540	2.337	2	108.1662	2.826	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(COO)(H){5|C<3>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,6|C<3>}	107.6730	0.000	1	107.6730	0.000	1	108.7540	2.337	2	108.1662	2.826	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[5,5]C)(C[5]C[5]HN)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(NCH)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CHO)	C[5](N[5]C[5,5]C)(C[5]C[5]HN)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]O)(NCH)(H){5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CHO){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	106.0360	0.000	1	106.0360	0.000	1	106.0360	0.000	1	108.1662	2.826	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:1:	4:3:3:	N[5]-3:C[5]-4:S-1:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(S)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]O)(H)	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]S)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(S){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]O)(H){1|O<2>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]S){4|H<1>,7|C<3>}	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	108.1662	2.826	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:2:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:O-2:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]2O)(O)	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]2O)(O){1|C<4>,1|O<2>,4|C<3>}	C[5](C[5]C[5]2O)(C[5]N[5]C)(C[5]N[5]O)(OC[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	104.6790	0.346	2	104.6790	0.120	2	104.6790	0.120	2	104.6790	0.120	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:3:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:N-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]2N)(O)	C[5](C[5]C[5,6a]C[5]F)(C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]2N)(O){1|C<4>,1|F<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]F)(C[5]N[5]C)(C[5]N[5]O)(NC[6a]H){1|N<3>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	105.2100	0.000	1	105.2100	0.000	1	105.2100	0.000	1	105.2100	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:3:	4:3:1:	N[5]-3:C[5]-4:S-1:	C[5]-4:C[5]-3:C-3:C-3:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)(C[5]C[5]CC)(S)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(COO)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H)	C[5](N[5]C[5,5]H)(C[5]C[5]CC)(S){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(COO)2{1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	107.8360	0.000	1	107.8360	0.000	1	107.8360	0.000	1	107.8360	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:3:4:	3:3:2:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](N[5]C[6a]N[5])(C[5]C[5]2C)(O)	C[5](C[5]C[5]2C)(C[5]N[5]C)(C[5]N[5]O)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]2C)(O){2|C<4>,4|C<3>}	C[5](C[5]C[5]2C)(C[5]N[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	105.5170	0.000	1	105.5170	0.000	1	105.5170	0.000	1	105.5170	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	108.0400	0.000	1	108.0400	0.000	1	108.6111	0.383	10	108.5067	0.464	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCH)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	109.4270	0.000	1	109.4270	0.000	1	108.6111	0.383	10	108.5067	0.464	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	108.4660	0.000	1	108.4660	0.000	1	108.6111	0.383	10	108.5067	0.464	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6]CH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6]CH)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,4|H<1>}	109.1420	0.283	2	109.1420	0.080	2	108.6111	0.383	10	108.5067	0.464	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CC)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CC)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	108.1490	0.000	1	108.1490	0.000	1	108.6111	0.383	10	108.5067	0.464	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CN)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CN)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	108.4090	0.000	1	108.4090	0.000	1	108.6111	0.383	10	108.5067	0.464	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]RuH)(C[5]N[5]O)(CCCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|Ru<10>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]RuH)(C[5]N[5]O)(CCCH)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|Ru<10>,1|C<4>,2|C<3>,4|H<1>}	108.6980	0.000	1	108.4453	0.725	3	108.6111	0.383	10	108.5067	0.464	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]RuH)(C[5]N[5]O)(CCCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|Ru<8>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]RuH)(C[5]N[5]O)(CCCH)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|Ru<8>,1|C<4>,2|C<3>,4|H<1>}	108.3190	1.164	2	108.4453	0.725	3	108.6111	0.383	10	108.5067	0.464	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:N[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]CH)(O)	C[5](C[5]N[5]CH)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){2|C<3>,2|C<4>,4|H<1>}	107.4630	0.000	1	107.4630	0.000	1	107.4630	0.000	1	108.5067	0.464	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:Cl-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]ClC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(Cl)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]ClC)(O){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(Cl){1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	107.7610	0.000	1	107.7610	0.000	1	107.7610	0.000	1	108.4255	0.883	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	109.0900	0.000	1	109.0900	0.000	1	109.0900	0.000	1	108.4255	0.883	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	4:3:1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CH3)(H)	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)	C[5](N[5]C[5,5]H)(C[5]C[5]CH)(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H){3|C<4>,5|H<1>}	108.7062	0.405	4	108.7062	0.164	4	108.7062	0.164	4	108.7062	0.164	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,1|S<2>,3|C<3>,4|H<1>}	108.9570	0.000	1	108.9570	0.000	1	108.8547	0.547	3	108.8547	0.547	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	109.5380	0.000	1	109.5380	0.000	1	108.8547	0.547	3	108.8547	0.547	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,4|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	108.0690	0.000	1	108.0690	0.000	1	108.8547	0.547	3	108.8547	0.547	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]CH)(C[5]N[5]O)(CF3)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCCH)	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,6]CH)(C[5]N[5]O)(CF3)(H){1|C<4>,2|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCCH){1|C<4>,3|C<3>,4|H<1>}	109.0030	0.000	1	109.0030	0.000	1	108.6130	0.304	2	108.6130	0.304	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	4:3:4:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(CF3)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(O){1|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(CF3)(H){1|C<4>,4|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|C<4>,3|C<3>,4|H<1>}	108.2230	0.000	1	108.2230	0.000	1	108.6130	0.304	2	108.6130	0.304	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	4:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[3x6]-4:C[5]-4:C[5]-3:	C[5](N[5]C[3x6]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[3x6]C[5])(C[5]C[5]CH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H){1|C<4>,2|H<1>}	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,4|C<4>,8|H<1>}	107.9930	0.000	1	107.9930	0.000	1	107.9930	0.000	1	107.9930	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:2:	4:3:1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,6]-4:C[5]-3:H-1:	C[5](N[5]C[5,6]H)(C[5]C[5]CO)(O)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)	C[5](N[5]C[5,6]H)(C[5]C[5]CO)(O){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH){1|H<1>,2|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H){2|C<4>,4|H<1>,4|O<2>}	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:2:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(OH)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(O){3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(OH){1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:3:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(CCO)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(CCO){1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:3:	4:3:1:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5,5]-4:C[5]-3:H-1:	C[5](N[5]C[5,5]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CCHH)(COO)	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H)	C[5](N[5]C[5,5]H)(C[5]C[5]CC)(O){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CCHH)(COO){1|C<3>,1|H<1>,1|O<2>}	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	107.6800	0.054	2	107.6800	0.003	2	107.6800	0.003	2	107.6800	0.003	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O){1|N<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2{1|N<2>,4|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	107.0650	0.000	1	107.3395	0.151	2	107.4490	0.111	3	107.8972	0.371	9	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O){1|N<2>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2{2|N<2>,3|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	107.6140	0.000	1	107.3395	0.151	2	107.4490	0.111	3	107.8972	0.371	9	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)2	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)2{4|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,5|C<3>}	107.6680	0.000	1	107.6680	0.000	1	107.4490	0.111	3	107.8972	0.371	9	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]O)(CH3)2	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CC)(O){1|S<1>,2|C<3>,2|N<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]O)(CH3)2{1|S<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	107.8972	0.371	9	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)2	N[5](C[6a]C[5,6a]N[6a])(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)2{1|C<3>,1|O<1>}	N[5](C[6a]C[5,6a]N[6a])(C[5]C[5]O)2{1|N<3>,2|C<3>,4|C<4>}	107.8350	0.573	2	107.8350	0.328	2	108.1134	0.460	5	107.8972	0.371	9	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{2|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	107.3930	0.000	1	107.3930	0.000	1	108.1134	0.460	5	107.8972	0.371	9	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	108.7520	0.150	2	108.7520	0.022	2	108.1134	0.460	5	107.8972	0.371	9	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,2|H<1>,4|C<4>}	115.1155	0.136	4	115.1155	0.019	4	115.1155	0.019	4	111.6884	7.904	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2{1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,3|C<4>,3|H<1>}	109.9010	1.000	2	109.9010	1.000	2	109.3820	0.525	5	111.6884	7.904	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)2{1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	109.3460	0.000	1	109.3460	0.000	1	109.3820	0.525	5	111.6884	7.904	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3){1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	108.7130	0.000	1	108.7130	0.000	1	109.3820	0.525	5	111.6884	7.904	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){2|C<3>,2|H<1>,4|C<4>}	109.0490	0.000	1	109.0490	0.000	1	109.3820	0.525	5	111.6884	7.904	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Se-1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(Se)	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CCHH)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Se)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(Se){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CCHH)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Se){2|C<3>,2|H<1>,4|C<4>}	109.9130	0.000	1	109.9130	0.000	1	110.6000	0.944	2	111.6884	7.904	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Se-1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(Se)	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Se)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(Se){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Se){2|C<3>,2|H<1>,4|C<4>}	111.2870	0.000	1	111.2870	0.000	1	110.6000	0.944	2	111.6884	7.904	11	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[4,5]-4:C[5]-3:C-4:C-4:	C[4,5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]CC)(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(CH3)2	N[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]CC)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	N[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|H<1>,6|C<4>}	108.8380	0.092	2	108.8380	0.008	2	108.8380	0.008	2	109.2512	0.253	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,4|C<4>,5|H<1>}	109.4820	0.000	1	109.6645	0.067	2	109.6645	0.067	2	109.2512	0.253	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	4:3:3:	N[5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,4|C<4>,5|H<1>}	109.8470	0.000	1	109.6645	0.067	2	109.6645	0.067	2	109.2512	0.253	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:3:4:4:	4:4:3:	N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[6]-4:C[5]-3:	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	N[5](C[5]C[5]CC)(C[6]C[6]2H)(C[5]C[5]H)	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(H){3|H<1>,4|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{3|C<4>}	N[5](C[5]C[5]CC)(C[6]C[6]2H)(C[5]C[5]H){1|N<3>,4|C<4>,5|H<1>}	114.5780	0.034	2	114.5780	0.001	2	114.5780	0.001	2	114.5780	0.001	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:4:3:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<3>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,4|H<1>}	107.8540	0.000	1	107.8540	0.000	1	108.2237	0.293	6	108.2237	0.293	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:4:3:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<3>,2|O<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	109.1850	0.000	1	108.7980	0.300	2	108.2237	0.293	6	108.2237	0.293	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:4:3:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<2>,2|O<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	108.4110	0.000	1	108.7980	0.300	2	108.2237	0.293	6	108.2237	0.293	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:4:3:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<2>,2|C<3>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	107.8130	0.000	1	107.8130	0.000	1	108.2237	0.293	6	108.2237	0.293	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:4:3:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O)	C[5](C[5]C[5]S[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]S[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|N<2>,2|C<3>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	107.7830	0.000	1	107.7830	0.000	1	108.2237	0.293	6	108.2237	0.293	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:1:	4:4:3:1:	3:3:3:	N[5]-3:C[5]-4:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O)	C[5](C[5]N[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]2H)(O){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]O[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	108.2960	0.000	1	108.2960	0.000	1	108.2237	0.293	6	108.2237	0.293	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:2:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(NS)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(NS){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){2|C<3>,6|H<1>}	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:2:	4:3:1:1:	4:4:3:	N[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(OH)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(OH){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){1|N<3>,2|C<4>,7|H<1>}	111.7080	0.000	1	111.7080	0.000	1	111.4625	0.121	2	111.4625	0.121	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:2:	4:3:1:1:	4:4:3:	N[5]-3:C[5]-4:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(OPd)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(OPd){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){2|C<4>,8|H<1>}	111.2170	0.000	1	111.2170	0.000	1	111.4625	0.121	2	111.4625	0.121	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:2:	4:3:3:2:	4:3:3:	N[5]-3:C[5]-4:N-2:	C[5]-4:C[5]-3:C-3:C-2:	C[6]-4:C[5]-3:C[5]-3:	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(NH)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CNS)(CN)	N[5](C[6]C[6]2H)(C[5]C[5]N)(C[5]C[5]S)	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(NH){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CNS)(CN){1|C<4>,1|S<1>,2|C<3>}	N[5](C[6]C[6]2H)(C[5]C[5]N)(C[5]C[5]S){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	107.2210	0.000	1	107.2210	0.000	1	107.2210	0.000	1	107.2210	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:2:	4:3:4:3:	3:3:3:	N[5]-3:C[5]-4:N-2:	C[5,5]-4:C[5]-3:C-4:C-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CC)(NC[6a])	C[5](C[5,5]C[5]N[5]S[5])(C[5]N[5]N)(CH3)(COO)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]N)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CC)(NC[6a]){1|N<3>,1|S<2>,3|C<3>}	C[5](C[5,5]C[5]N[5]S[5])(C[5]N[5]N)(CH3)(COO){1|C<4>,4|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]N){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	107.4440	0.284	2	107.4440	0.081	2	107.4440	0.081	2	107.4440	0.081	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:2:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:As-2:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(AsC)	C[5](C[5]C[5]HH)(C[5]N[5]As)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]As)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(AsC){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]As)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]As){2|C<3>,2|H<1>,4|C<4>}	108.8183	0.761	3	108.8183	0.579	3	108.8183	0.579	3	109.9096	3.975	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:2:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-2:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BB)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BB){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	109.9096	3.975	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:2:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:C-2:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	111.9643	1.473	7	111.9643	2.169	7	111.6835	2.490	8	109.9096	3.975	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:2:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:C-2:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CP)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CP){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	109.7180	0.000	1	109.7180	0.000	1	111.6835	2.490	8	109.9096	3.975	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:2:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Ge-2:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GeN)	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ge)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GeN){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ge){2|C<3>,2|H<1>,4|C<4>}	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	109.9096	3.975	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:2:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:P-2:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC)	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	108.0205	1.059	2	108.0205	1.121	2	108.4634	0.723	5	109.9096	3.975	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:2:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:P-2:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PGe)	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PGe){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	109.5950	0.000	1	109.5950	0.000	1	108.4634	0.723	5	109.9096	3.975	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:2:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:P-2:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PSi)	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PSi){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	108.3405	0.264	2	108.3405	0.070	2	108.4634	0.723	5	109.9096	3.975	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	2:3:4:3:	4:3:4:	N[5]-3:C[5]-4:C-3:	S[5]-2:C[5]-3:C-4:C-3:	C[5,5]-4:C[5]-3:C-4:	C[5](N[5]C[5,5]C)(C[5]S[5]CC)(CHH)	C[5](S[5]C[5,5])(C[5]N[5]C)(CH3)(CCC)	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH)	C[5](N[5]C[5,5]C)(C[5]S[5]CC)(CHH){1|C<3>,1|C<4>}	C[5](S[5]C[5,5])(C[5]N[5]C)(CH3)(CCC){1|C<3>,2|C<4>}	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH){1|O<2>,2|C<4>,4|C<3>}	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:2:1:1:	3:3:3:	N[5]-3:C[5]-4:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CHH)	C[5](C[5]N[5]C)(O[5]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]S)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CHH){1|S<1>,2|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(H)2{1|C<3>,1|S<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]S){2|C<3>,4|H<1>}	103.8520	0.000	1	103.8520	0.000	1	103.6120	0.115	2	103.6120	0.115	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:2:1:1:	3:3:3:	N[5]-3:C[5]-4:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CHH)	C[5](C[5]N[5]C)(O[5]C[5])(H)2	N[5](C[6a]C[6a]2)(C[5]O[5]Mn)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CHH){1|Mn<6>,2|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(H)2{1|Mn<6>,1|C<3>}	N[5](C[6a]C[6a]2)(C[5]O[5]Mn)(C[5]C[5]C){2|C<3>,4|H<1>}	103.3720	0.000	1	103.3720	0.000	1	103.6120	0.115	2	103.6120	0.115	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:2:4:4:	3:3:3:	N[5]-3:C[5]-4:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C[6]-3:	C[5](N[5]C[5]C[6])(C[5]O[5]CC)(CHH)	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3)	N[5](C[5]C[5]C)(C[5]O[5]O)(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]O[5]CC)(CHH){1|O<1>,2|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|O<1>}	N[5](C[5]C[5]C)(C[5]O[5]O)(C[6]C[6]2){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	106.0820	0.000	1	106.0820	0.000	1	106.0820	0.000	1	105.3757	0.433	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:2:4:4:	3:3:3:	N[5]-3:C[5]-4:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH){1|O<1>,2|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	104.7790	0.000	1	104.7790	0.000	1	105.0225	0.119	2	105.3757	0.433	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:2:4:4:	3:3:3:	N[5]-3:C[5]-4:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH)	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH){1|O<1>,2|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	105.2660	0.000	1	105.2660	0.000	1	105.0225	0.119	2	105.3757	0.433	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CHH)	C[5](C[5]N[5]C)(N[5]C[5]H)(H)2	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CHH){1|Mn<6>,1|H<1>,2|C<3>}	C[5](C[5]N[5]C)(N[5]C[5]H)(H)2{1|Mn<6>,1|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]C){2|C<3>,2|F<1>,3|H<1>}	104.6050	0.000	1	104.6050	0.000	1	104.6050	0.000	1	104.6050	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:3:4:2:	3:3:1:	N[5a]-3:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5])(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH){2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	115.2080	0.000	1	115.2080	0.000	1	115.2080	0.000	1	115.2080	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H){2|C<3>,2|C<4>,2|H<1>}	113.6570	0.000	1	113.6570	0.000	1	110.6025	18.660	2	110.3755	6.290	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H){1|N<2>,1|O<1>,2|N<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	107.5480	0.000	1	107.5480	0.000	1	110.6025	18.660	2	110.3755	6.290	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	110.1010	0.000	1	110.1010	0.000	1	110.1485	0.005	2	110.3755	6.290	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(O){2|C<3>,4|H<1>}	110.1960	0.000	1	110.1960	0.000	1	110.1485	0.005	2	110.3755	6.290	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:1:1:	4:3:4:	C[5]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH){2|C<3>,4|H<1>}	108.9540	0.214	2	108.9540	0.046	2	108.9540	0.046	2	108.9540	0.046	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:3:3:	4:3:1:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:C-3:C-3:	C[5]-4:C[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(COO)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(COO)2{1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(O){2|H<1>,6|C<3>}	110.1230	0.301	2	110.1230	0.091	2	110.1230	0.091	2	110.1230	0.091	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:4:4:	3:3:4:	N[5]-3:C[5]-4:C[4]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[4]P[4]2)	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2	N[5](C[5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[4]P[4]2){1|P<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<2>,1|P<3>,2|C<4>}	N[5](C[5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|P<2>,1|P<3>,2|C<3>,2|H<1>,4|C<4>}	108.5960	1.235	2	109.2350	1.987	3	109.2350	1.987	3	108.7963	1.082	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:4:4:	3:3:4:	N[5]-3:C[5]-4:C[4]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[4]P[4]2)	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2	N[5](C[5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[4]P[4]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<2>,1|P<4>,2|C<4>}	N[5](C[5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|P<2>,1|P<4>,2|C<3>,2|H<1>,4|C<4>}	110.5130	0.000	1	109.2350	1.987	3	109.2350	1.987	3	108.7963	1.082	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:4:4:	3:3:4:	N[5]-3:C[5]-4:C[6]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2{2|C<4>,3|C<3>}	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	108.3577	0.377	3	108.3577	0.142	3	108.3577	0.142	3	108.7963	1.082	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:4:4:	3:4:1:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O){2|C<3>,2|C<4>,2|H<1>}	112.5010	0.000	1	110.7396	1.045	5	110.6612	0.873	6	110.6612	0.873	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:4:4:	3:4:1:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){3|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O){2|C<3>,2|C<4>,2|H<1>}	110.2993	0.316	4	110.7396	1.045	5	110.6612	0.873	6	110.6612	0.873	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:4:4:	3:4:1:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|O<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(O){2|C<3>,2|C<4>,2|H<1>}	110.2690	0.000	1	110.2690	0.000	1	110.6612	0.873	6	110.6612	0.873	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:4:4:	3:4:4:	C[6a]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-4:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCCH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	113.0440	0.263	3	113.0440	0.069	3	113.0440	0.069	3	113.0440	0.069	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	3:4:4:4:	4:3:4:	C[5]-3:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCHH)	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(N[5]C[5]C){2|H<1>,7|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{1|N<3>,4|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCHH){1|N<3>,2|H<1>,3|C<4>}	107.2863	1.606	6	107.2863	2.579	6	107.2863	2.579	6	107.2863	2.579	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:B[5]-3:C[5]-3:	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BC[3]Br)	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BC[3]Br){2|Si<4>,1|O<2>,2|C<3>}	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2{1|C<3>,1|O<2>}	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	105.8680	0.000	1	105.8680	0.000	1	105.8680	0.000	1	105.5610	0.188	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	105.2540	0.000	1	105.2540	0.000	1	105.2540	0.000	1	105.5610	0.188	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCH)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCH){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|C<3>,6|H<1>}	107.5075	0.062	2	107.5075	0.004	2	107.3623	0.029	4	107.3623	0.029	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:1:1:	3:4:3:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(H)2{1|H<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	107.2170	0.000	2	107.2170	0.000	2	107.3623	0.029	4	107.3623	0.029	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CHH)	C[5](C[5]C[5,5]CC)(C[5]N[5]C)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(COO)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CHH){2|C<2>,2|C<3>}	C[5](C[5]C[5,5]CC)(C[5]N[5]C)(H)2{3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(COO){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|H<1>}	106.0995	0.298	2	106.0995	0.089	2	106.0995	0.089	2	106.0995	0.089	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:1:1:	4:4:3:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(CC[5a]C)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[3]C[3]2H)(C[5]C[5]HH)(C[5]C[5]C)	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(CC[5a]C){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	N[5](C[3]C[3]2H)(C[5]C[5]HH)(C[5]C[5]C){8|H<1>}	109.2120	0.550	2	109.2120	0.303	2	109.2120	0.303	2	109.2120	0.303	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:3:1:	3:3:3:	N[5]-3:C[5]-4:C-3:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)(H)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH){2|N<3>,3|C<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)(H){1|N<2>,5|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|H<1>}	106.7880	0.000	1	106.7880	0.000	1	106.1290	0.369	4	106.7060	1.031	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:3:1:	3:3:3:	N[5]-3:C[5]-4:C-3:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)(H)	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH){1|S<1>,2|C<3>,2|N<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)(H){1|C<3>,1|S<1>,4|C<4>}	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|H<1>}	105.7080	0.000	1	105.9093	0.264	3	106.1290	0.369	4	106.7060	1.031	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:3:1:	3:3:3:	N[5]-3:C[5]-4:C-3:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)(H)	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH){1|S<1>,2|C<3>,2|N<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(COO)(H){1|N<2>,1|S<1>,4|C<3>}	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|H<1>}	106.0100	0.683	2	105.9093	0.264	3	106.1290	0.369	4	106.7060	1.031	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:3:1:	3:3:3:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]C)(CCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH){1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]C)(CCH)(H){1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){3|H<1>,5|C<3>}	108.0210	0.000	1	108.0210	0.000	1	107.8600	0.052	2	106.7060	1.031	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:3:1:	3:3:3:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]N)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CCH)(H){1|N<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]N){4|C<3>,4|H<1>}	107.6990	0.000	1	107.6990	0.000	1	107.8600	0.052	2	106.7060	1.031	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:3:3:	4:3:3:	N[5]-3:C[5]-4:C-3:	C[5,6]-4:C[5]-3:C-3:C-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(CC[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(COO)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(CC[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(COO)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	108.2440	0.034	2	108.2440	0.001	2	108.2440	0.001	2	107.6393	1.097	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:3:3:	4:3:3:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[6a]2)	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[6a]2){3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(COO)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,6|C<3>}	106.4300	0.000	1	106.4300	0.000	1	106.4300	0.000	1	107.6393	1.097	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:1:	3:3:3:	N[5]-3:C[5]-4:C-3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(CCHH)(H)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH){2|N<3>,3|C<3>}	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(CCHH)(H){2|C<4>,4|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	105.1190	0.000	1	105.1190	0.000	1	105.1190	0.000	1	105.1190	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBC)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBC){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	107.9940	0.000	1	107.9940	0.000	1	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBrN)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBrN){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	110.3350	0.000	1	110.3350	0.000	1	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[3]H)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[3]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	105.8430	0.000	1	105.8430	0.000	1	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	106.3950	0.061	2	106.3950	0.004	2	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]Cl)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]Cl){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	104.8620	0.861	4	104.8620	0.742	4	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]F)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]F){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	107.1232	0.317	4	107.1232	0.101	4	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	106.3620	0.000	1	106.3620	0.000	1	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	105.1960	0.000	1	105.1960	0.000	1	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	108.2980	0.006	2	108.2980	0.000	2	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C[5])	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	104.3470	0.000	1	104.3470	0.000	1	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]N[6])	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]N[6]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	105.4860	0.000	1	105.4860	0.000	1	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	109.1900	0.000	1	109.1900	0.000	1	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClN)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClN){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	107.4800	0.000	1	107.4800	0.000	1	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClP)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClP){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	106.5615	1.633	2	106.5615	2.666	2	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]B)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]B){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	105.1590	0.000	1	105.1590	0.000	1	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BSeB)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BSeB){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	107.7010	0.035	2	107.7010	0.001	2	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BTeB)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BTeB){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	107.4795	0.124	2	107.4795	0.015	2	106.7215	2.303	28	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CCO){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	112.2565	3.286	2	112.2565	10.797	2	112.2988	3.550	5	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(COO){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	111.9670	1.618	2	111.9670	2.617	2	112.2988	3.550	5	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(COO){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	113.0470	0.000	1	113.0470	0.000	1	112.2988	3.550	5	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Ge-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GeCl2)	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ge)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GeCl2){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ge){2|C<3>,2|H<1>,4|C<4>}	109.8760	0.033	2	109.8760	0.001	2	109.8760	0.001	2	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Si-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCC)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCC){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	108.3620	0.000	1	108.3620	0.000	1	108.1985	0.951	6	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Si-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiII)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiII){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	109.3205	0.332	2	109.3205	0.110	2	108.1985	0.951	6	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Si-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiC)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiC){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	107.2665	0.261	2	107.2665	0.068	2	108.1985	0.951	6	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Si-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiH)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	107.6550	0.000	1	107.6550	0.000	1	108.1985	0.951	6	107.7717	5.611	41	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:B-4:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:B[5]-3:C[5]-3:	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(BI3)	C[5](N[5]C[6a]B[5])(C[5]N[5]B)(H)2	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]B)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(BI3){1|Br<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]B)(H)2{1|Br<1>,3|C<3>}	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]B){2|C<4>,2|H<1>,3|C<3>}	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	3:3:4:1:	4:3:3:	N[5]-3:C[5]-4:C-4:	N[5]-3:C[5]-3:C-4:H-1:	B[5,5a]-4:C[6a]-3:C[5]-3:	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]CH)(CH3)	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H)	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]CH)(CH3){2|O<2>,3|C<3>}	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H){2|O<2>,3|C<3>}	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,5|C<3>}	111.8720	0.195	2	111.8720	0.038	2	111.8720	0.038	2	111.8720	0.038	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	3:3:4:4:	4:3:3:	N[5]-3:C[5]-4:C-4:	N[5]-3:C[5]-3:C-4:C-4:	Ga[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]CC)(CH3)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)2	N[5](Ga[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]CC)(CH3){2|C<4>,3|C<3>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)2{2|C<4>,3|C<3>}	N[5](Ga[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){3|C<3>,4|C<4>}	117.2400	0.000	1	117.2400	0.000	1	117.2400	0.000	1	117.2400	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	3:4:4:4:	3:3:4:	N[5]-3:B[4]-4:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])(B[4]S[4]2C)(C[5]C[5]CC)	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(B[4]S[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2{1|C<2>,1|C<3>,2|C<4>,2|S<2>}	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<2>,2|C<3>,2|H<1>,2|S<2>,4|C<4>}	109.2810	0.000	1	109.2810	0.000	1	108.8433	0.195	3	108.8417	0.084	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	3:4:4:4:	3:3:4:	N[5]-3:B[4]-4:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC)	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2{2|Se<2>,1|C<2>,1|C<3>,2|C<4>}	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|Se<2>,1|C<2>,2|C<3>,2|H<1>,4|C<4>}	108.6245	0.322	2	108.6245	0.104	2	108.8433	0.195	3	108.8417	0.084	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	3:4:4:4:	3:3:4:	N[5]-3:B[5]-4:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])(B[5]Se[5]2C)(C[5]C[5]CC)	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(B[5]Se[5]2C)(C[5]C[5]CC){1|Se<2>,1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2{2|Se<2>,1|C<2>,1|C<3>,2|C<4>}	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|Se<2>,1|C<2>,2|C<3>,2|H<1>,4|C<4>}	108.7090	0.000	1	108.7090	0.000	1	108.7090	0.000	1	108.8417	0.084	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	3:4:4:4:	3:3:4:	N[5]-3:B[6]-4:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])(B[6]C[6]2Cr)(C[5]C[5]CC)	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]B[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(B[6]C[6]2Cr)(C[5]C[5]CC){2|C<3>,4|C<4>,4|H<1>}	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2{1|Cr<9>,1|C<3>,4|C<4>}	N[5](C[5]B[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|Cr<9>,2|C<3>,2|H<1>,6|C<4>}	108.9055	0.050	2	108.9055	0.003	2	108.9055	0.003	2	108.8417	0.084	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:B[5]-3:C[5]-3:	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BBr2B)	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BBr2B){2|Si<4>,1|O<2>,2|C<3>}	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2{1|C<3>,1|O<2>}	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	109.7760	0.000	1	109.7760	0.000	1	109.7275	0.005	2	109.7275	0.005	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:1:1:	3:3:3:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:B[5]-3:C[5]-3:	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BCl3)	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	C[5](N[5]C[6a]B[5])(C[5]C[5]HH)(BCl3){2|Si<4>,1|O<2>,2|C<3>}	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2{1|C<3>,1|O<2>}	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	109.6790	0.000	1	109.6790	0.000	1	109.7275	0.005	2	109.7275	0.005	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBr2H)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBr2H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	109.8340	0.000	1	109.8340	0.000	1	109.4167	0.599	9	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCHH)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCHH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	108.5040	0.000	1	108.5040	0.000	1	109.4167	0.599	9	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]HO)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]HO){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	109.8720	0.000	1	109.8720	0.000	1	109.4167	0.599	9	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]Br2)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]Br2){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	108.4670	0.000	1	108.4670	0.000	1	109.4167	0.599	9	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]CH)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]CH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	109.6300	0.000	1	109.6300	0.000	1	109.4167	0.599	9	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2N)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2N){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	108.8470	0.000	1	108.8470	0.000	1	109.4167	0.599	9	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl3)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl3){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	109.6750	0.000	1	109.6750	0.000	1	109.4167	0.599	9	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BH3)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BH3){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	109.0530	0.000	1	109.0530	0.000	1	109.4167	0.599	9	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BHHO)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BHHO){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	110.8680	0.000	1	110.8680	0.000	1	109.4167	0.599	9	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Ga-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl2H)	C[5](C[5]C[5]HH)(C[5]N[5]Ga)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ga)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl2H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Ga)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ga){2|C<3>,2|H<1>,4|C<4>}	110.4110	0.000	1	110.4110	0.000	1	110.6375	0.103	2	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Ga-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl3)	C[5](C[5]C[5]HH)(C[5]N[5]Ga)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ga)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl3){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Ga)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ga){2|C<3>,2|H<1>,4|C<4>}	110.8640	0.000	1	110.8640	0.000	1	110.6375	0.103	2	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:P-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2O)	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	111.4175	0.059	2	111.4175	0.003	2	111.2578	0.029	5	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:P-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3)	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	111.1513	0.121	3	111.1513	0.015	3	111.2578	0.029	5	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Si-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2P)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2P){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	110.1060	0.000	1	110.1060	0.000	1	109.5414	0.354	7	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Si-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2S)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2S){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	109.6060	0.000	3	109.6060	0.000	3	109.5414	0.354	7	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Si-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiClCC)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiClCC){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	109.1260	0.000	1	109.1260	0.000	1	109.5414	0.354	7	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Si-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiClSiC)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiClSiC){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	108.4870	0.000	1	108.4870	0.000	1	109.5414	0.354	7	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Si-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiIIN)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiIIN){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	110.2530	0.000	1	110.2530	0.000	1	109.5414	0.354	7	109.9610	0.925	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	3:5:4:	3:4:4:4:	3:3:4:	N[5]-3:B[6]-5:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5]C[6a]C[5])(B[6]C[6]2Li2)(C[5]C[5]CC)	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]B[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(B[6]C[6]2Li2)(C[5]C[5]CC){2|C<3>,2|C<4>,2|C<5>,4|H<1>}	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2{2|Li<7>,1|C<3>,2|C<4>,2|C<5>}	N[5](C[5]B[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|Li<7>,2|C<3>,2|C<5>,2|H<1>,4|C<4>}	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:1:	C[5]-4:N[5]-3:H-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)	C[5](C[5]N[5]H)(S[5]C[5])(H)2	N[5](C[5]C[5]H)(C[5]S[5]S)(H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H){1|S<2>}	C[5](C[5]N[5]H)(S[5]C[5])(H)2{1|H<1>,1|S<2>}	N[5](C[5]C[5]H)(C[5]S[5]S)(H){2|H<1>}	105.5880	0.000	1	105.5880	0.000	1	105.5880	0.000	1	110.7733	3.616	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]S[5]HH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]C)(H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(O){1|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]O)(C[5]S[5]C)(H){2|H<1>}	111.0265	0.161	2	111.0265	0.026	2	111.3494	0.334	9	110.7733	3.616	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]S[5]HH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(O){1|N<2>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,1|N<2>}	N[5](C[5]C[5]O)(C[5]S[5]N)(H){2|H<1>}	111.4932	0.743	5	111.4220	0.472	6	111.3494	0.334	9	110.7733	3.616	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]S[5]HH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(O){1|N<3>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,1|N<3>}	N[5](C[5]C[5]O)(C[5]S[5]N)(H){2|H<1>}	111.0660	0.000	1	111.4220	0.472	6	111.3494	0.334	9	110.7733	3.616	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]S[5]HH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]S)(H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(O){1|S<1>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,1|S<1>}	N[5](C[5]C[5]O)(C[5]S[5]S)(H){2|H<1>}	111.5600	0.000	1	111.5600	0.000	1	111.3494	0.334	9	110.7733	3.616	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:N-2:	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]S)(NC)	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){1|S<1>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<2>,1|S<1>}	N[5](C[5]C[5]O)(C[5]S[5]S)(NC){2|H<1>}	110.5723	0.515	3	110.5723	0.265	3	110.5723	0.265	3	110.5723	0.265	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(NCC)	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){1|N<2>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<2>,1|N<3>}	N[5](C[5]C[5]O)(C[5]S[5]N)(NCC){2|H<1>}	111.4370	0.000	1	111.4370	0.000	1	110.8512	0.121	5	110.8512	0.121	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(NHP)	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){1|N<2>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<2>,1|N<3>}	N[5](C[5]C[5]O)(C[5]S[5]N)(NHP){2|H<1>}	110.8640	0.000	1	110.8640	0.000	1	110.8512	0.121	5	110.8512	0.121	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(NCH)	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){1|O<1>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<3>,1|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]O)(NCH){2|H<1>}	110.7250	0.000	1	110.7250	0.000	1	110.8512	0.121	5	110.8512	0.121	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]S)(NHH)	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){1|S<1>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<3>,1|S<1>}	N[5](C[5]C[5]O)(C[5]S[5]S)(NHH){2|H<1>}	110.6150	0.113	2	110.6150	0.013	2	110.8512	0.121	5	110.8512	0.121	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(O[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]O[5]S)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(O){1|S<1>}	C[5](C[5]N[5]O)(O[5]C[5])(H)2{1|C<4>,1|S<1>}	N[5](C[5]C[5]O)(C[5]O[5]S)(CCHH){2|H<1>}	96.9086	0.000	1	96.9086	0.000	1	96.9086	0.000	1	110.0024	21.358	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|N<2>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){2|H<1>}	111.1427	0.232	3	111.1427	0.054	3	111.4572	0.216	9	110.0024	21.358	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CC[6a]HH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|N<2>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]O)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	111.4620	0.000	1	111.4620	0.000	1	111.4572	0.216	9	110.0024	21.358	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]N)(CH3)	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|N<2>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]O)(C[5]S[5]N)(CH3){2|H<1>}	111.0780	0.000	1	111.0780	0.000	1	111.4572	0.216	9	110.0024	21.358	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|O<1>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){2|H<1>}	111.7195	0.407	2	111.7195	0.165	2	111.4572	0.216	9	110.0024	21.358	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|O<1>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]O)(CC[6a]HH){2|H<1>}	112.3820	0.000	1	112.3820	0.000	1	111.4572	0.216	9	110.0024	21.358	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]HH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|S<1>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<4>,1|S<1>}	N[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]HH){2|H<1>}	111.3260	0.000	1	111.3260	0.000	1	111.4572	0.216	9	110.0024	21.358	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	4:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(NC)	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(NC){2|C<3>,2|H<1>}	111.2440	0.000	1	111.2440	0.000	1	111.2440	0.000	1	111.2440	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCC)	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCC){2|C<3>,2|H<1>}	111.4050	0.000	1	111.4050	0.000	1	111.0900	0.198	2	111.1270	0.103	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]S[5]CH)(C[5]C[5]O)(COO)	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|C<2>,1|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<2>,1|C<3>,1|H<1>}	N[5](C[5]S[5]CH)(C[5]C[5]O)(COO){2|H<1>}	110.7750	0.000	1	110.7750	0.000	1	111.0900	0.198	2	111.1270	0.103	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]S[5]CC)(C[5]C[5]O)(NCH)	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){2|C<4>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|N<3>,2|C<4>}	N[5](C[5]S[5]CC)(C[5]C[5]O)(NCH){2|H<1>}	111.2010	0.000	1	111.2010	0.000	1	111.2010	0.000	1	111.1270	0.103	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(O[5]C[5])(H)2	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC3)	C[5](C[5]O[5]HH)(N[5]C[5]C)(O){1|C<4>,1|H<1>}	C[5](C[5]N[5]O)(O[5]C[5])(H)2{1|H<1>,2|C<4>}	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC3){2|H<1>}	106.8217	0.126	3	106.8217	0.016	3	106.7935	0.014	4	110.7198	7.610	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]O[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(O[5]C[5])(H)2	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(O){1|C<4>,1|H<1>}	C[5](C[5]N[5]O)(O[5]C[5])(H)2{1|H<1>,2|C<4>}	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	106.7090	0.000	1	106.7090	0.000	1	106.7935	0.014	4	110.7198	7.610	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	112.6064	0.511	7	112.6064	0.261	7	112.4648	0.276	9	110.7198	7.610	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]S[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|C<4>,1|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<4>}	N[5](C[5]S[5]CH)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	111.9690	0.081	2	111.9690	0.006	2	112.4648	0.276	9	110.7198	7.610	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	4:4:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]S[5]HH)(N[5]C[5]2)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[5]S[5]H)(C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]S[5]HH)(N[5]C[5]2)(O){2|H<1>,3|C<4>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[5]S[5]H)(C[5]C[5]2H)(C[5]C[5]O){2|O<2>,3|C<4>,6|H<1>}	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5]C)(O)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H)	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5]C)(O){1|C<4>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.4620	0.296	2	106.3570	0.077	3	106.3570	0.077	3	106.3570	0.077	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5]C)(O)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H)	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5]C)(O){1|C<4>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|C<3>,3|H<1>}	106.1470	0.000	1	106.3570	0.077	3	106.3570	0.077	3	106.3570	0.077	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|N<2>}	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<4>,1|N<2>}	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){1|C<4>,1|H<1>}	112.8480	0.000	1	112.8480	0.000	1	112.4900	0.256	2	112.4900	0.256	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	N[5](C[5]C[5]O)(C[5]S[5]S)(CCHH)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|S<1>}	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]O)(C[5]S[5]S)(CCHH){1|C<4>,1|H<1>}	112.1320	0.000	1	112.1320	0.000	1	112.4900	0.256	2	112.4900	0.256	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|H<1>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){2|C<4>}	106.8990	0.000	1	106.8990	0.000	1	105.8660	0.344	5	105.8567	0.275	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H){1|C<3>,1|N<2>,2|C<4>}	105.5690	0.106	3	105.5690	0.011	3	105.8660	0.344	5	105.8567	0.275	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3)	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H){2|C<3>,2|C<4>}	105.7240	0.000	1	105.7240	0.000	1	105.8660	0.344	5	105.8567	0.275	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]O[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3)	N[5](C[5]C[5]O)(C[5]O[5]O)(H)	C[5](C[5]O[5]CC)(N[5]C[5]H)(O){1|O<1>}	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]O[5]O)(H){2|C<4>}	105.8100	0.000	1	105.8100	0.000	1	105.8100	0.000	1	105.8567	0.275	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){2|C<4>}	107.2970	0.024	4	107.2970	0.001	4	107.2970	0.001	4	107.0902	0.214	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]O[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3)	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH)	C[5](C[5]O[5]CC)(N[5]C[5]C)(O){1|O<1>}	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH){2|C<4>}	106.2630	0.000	1	106.2630	0.000	1	106.2630	0.000	1	107.0902	0.214	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:4:4:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]S[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	N[5](C[5]C[5a]S[5]C)(C[5]C[5]O)(H)	C[5](C[5]S[5]CC)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5a]S[5]C)(C[5]C[5]O)(H){1|N<2>,1|S<2>,2|C<4>}	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	114.4540	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:F-1:F-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(F)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(F)2{2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|F<1>}	106.2698	0.192	4	106.2698	0.037	4	106.3088	0.035	5	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:F-1:F-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]O)(F)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]O)(F)2{1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|F<1>}	106.4650	0.000	1	106.4650	0.000	1	106.3088	0.035	5	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,3|H<1>}	107.7261	0.278	18	107.7261	0.077	18	107.7261	0.077	18	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,2|H<1>}	106.3435	0.257	2	106.3435	0.066	2	106.9233	1.042	3	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]O)2(H){1|C<3>,2|H<1>}	108.0830	0.000	1	108.0830	0.000	1	106.9233	1.042	3	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]O)(C[5]N[5]N)(H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(O){1|C<4>,1|N<2>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	N[5](C[5]C[5]O)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	105.9979	0.394	7	106.0710	0.224	29	106.4801	0.511	62	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]O)(C[5]N[5]N)(H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(O){1|C<4>,1|N<3>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>}	N[5](C[5]C[5]O)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	106.0943	0.502	22	106.0710	0.224	29	106.4801	0.511	62	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(O){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	106.0973	0.352	9	106.0973	0.124	9	106.4801	0.511	62	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(O){1|C<3>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|C<3>,2|H<1>}	105.8190	0.000	1	105.8190	0.000	1	106.4801	0.511	62	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){3|H<1>}	106.7337	0.057	3	106.7337	0.003	3	106.4801	0.511	62	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(O){1|H<1>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|H<1>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){3|H<1>}	106.1450	0.000	1	106.1450	0.000	1	106.4801	0.511	62	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(O){1|N<2>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|N<2>,2|H<1>}	107.2983	0.485	19	107.2983	0.235	19	106.4801	0.511	62	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(O)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]O)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(O){2|C<3>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	106.5730	0.000	2	106.5730	0.000	2	106.3774	0.128	5	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(O){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){2|C<3>,3|H<1>}	105.7420	0.000	1	105.7420	0.000	1	106.3774	0.128	5	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(O){2|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(H)2{1|H<1>,1|S<2>,2|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	106.4660	0.000	1	106.4995	0.002	2	106.3774	0.128	5	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(O){2|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(H)2{1|H<1>,1|S<2>,2|C<3>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	106.5330	0.000	1	106.4995	0.002	2	106.3774	0.128	5	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]HH)(N[5]C[5]H)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(O){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	106.7160	0.000	1	106.7160	0.000	1	106.7160	0.000	1	106.7208	0.629	94	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[5]HH)(N[5]C[5]N)(O)	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]H)(C[5]C[5]O)(NW)	C[5](C[5]C[5]HH)(N[5]C[5]N)(O){2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,1|N<2>}	N[5](C[5]C[5]H)(C[5]C[5]O)(NW){3|H<1>}	105.9600	0.000	1	105.9600	0.000	1	105.9600	0.000	1	105.9600	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){2|C<3>,3|H<1>}	107.8790	0.000	1	107.8790	0.000	1	107.8790	0.000	1	106.5475	3.029	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(CCH){1|C<3>,2|H<1>}	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	106.5475	3.029	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O)	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O){3|H<1>}	106.0610	0.000	1	106.0610	0.000	1	106.0610	0.000	1	106.5475	3.029	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]N[5]HH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(NCH)	C[5](C[5]N[5]HH)(N[5]C[5]N)(O){1|H<1>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|N<3>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(NCH){3|H<1>}	104.2920	0.000	1	104.2920	0.000	1	104.2920	0.000	1	106.5475	3.029	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:B-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]B)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]3)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]B)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)2{1|B<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]3){2|C<3>,3|H<1>}	113.3830	0.000	1	113.3830	0.000	1	113.3830	0.000	1	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H){1|C<4>,1|S<2>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|S<2>}	N[5](C[5]C[5]H)(C[5]N[5]S)(CN[5]HH){1|C<4>,2|H<1>}	108.8160	0.000	1	108.8160	0.000	1	108.8160	0.000	1	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H){1|B<4>,1|H<1>}	C[5](N[5]B[6,6]C[5])(C[5]N[5]H)(H)2{1|H<1>,1|N<3>,3|C<4>}	N[5](C[5]C[5]H)(C[5]N[5]H)(CH3){1|B<4>,2|H<1>}	106.9240	0.000	1	106.9240	0.000	1	106.9240	0.000	1	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:Br-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Br)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Br)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Br<1>,2|C<3>,2|H<1>}	107.1405	0.081	2	107.1405	0.007	2	107.1405	0.007	2	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|Cl<1>,1|H<1>,2|C<3>}	106.2380	0.000	1	106.2380	0.000	1	106.1860	0.005	2	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CClHH)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CClHH){2|Cl<1>,1|H<1>,2|C<3>}	106.1340	0.000	1	106.1340	0.000	1	106.1860	0.005	2	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|C<3>,3|H<1>}	107.4715	0.299	2	107.4715	0.089	2	107.5155	0.052	4	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|C<3>,3|H<1>}	107.7300	0.000	1	107.7300	0.000	1	107.5155	0.052	4	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<3>,3|H<1>}	107.3890	0.000	1	107.3890	0.000	1	107.5155	0.052	4	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{2|C<4>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){1|C<3>,2|H<1>}	106.4830	0.000	1	106.4830	0.000	1	108.5258	1.241	6	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CC3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CC3){1|C<3>,2|H<1>}	109.4025	0.595	2	109.4025	0.354	2	108.5258	1.241	6	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,2|H<1>}	108.8560	0.000	1	108.8560	0.000	1	108.5258	1.241	6	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CH3){1|C<3>,2|H<1>}	108.5055	0.175	2	108.5055	0.031	2	108.5258	1.241	6	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	106.8110	0.375	2	106.8110	0.140	2	106.6425	0.170	6	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<4>,2|H<1>}	106.3780	0.000	1	106.3780	0.000	1	106.6425	0.170	6	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|C<4>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){3|H<1>}	106.0830	0.000	1	106.0830	0.000	1	106.6425	0.170	6	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|C<4>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){3|H<1>}	106.6100	0.000	1	106.6100	0.000	1	106.6425	0.170	6	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|N<2>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]N)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|N<2>,2|H<1>}	107.1620	0.000	1	107.1620	0.000	1	106.6425	0.170	6	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CHHO)	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CHHO){1|C<3>,2|H<1>}	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	107.6698	2.509	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]N)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]N)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|N<2>,2|H<1>}	108.9140	0.000	1	108.9140	0.000	1	109.0225	0.024	2	109.0225	0.024	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|O<1>,2|H<1>}	109.1310	0.000	1	109.1310	0.000	1	109.0225	0.024	2	109.0225	0.024	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	4:3:3:	C[5]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[5]H)(C[5]N[5]H)(H)2	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]H)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	104.6490	0.000	1	104.6490	0.000	1	104.6490	0.000	1	104.6490	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]O)(H)2	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(O){1|O<2>,2|C<4>}	C[5](C[5]N[5]O)(N[5]C[5]O)(H)2{3|C<4>}	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|O<2>,2|H<1>}	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	109.7107	3.610	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]S[5]HH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5]O)(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCHH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(S[5]C[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCHH){1|O<1>,2|C<3>,2|H<1>}	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	109.7107	3.610	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2	N[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O)(CH3)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(O){1|C<4>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	N[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	110.3920	0.000	1	110.3920	0.000	1	110.3920	0.000	1	109.7107	3.610	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|O<2>,2|C<3>,2|H<1>}	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:S[5]-2:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]S[5]H)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]C)	C[5](C[5]C[6a]S[5]H)(N[5]C[6a]C[5])(O){5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(H){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]C){3|C<3>,3|H<1>}	112.3680	0.000	1	112.3680	0.000	1	112.3680	0.000	1	112.3680	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|O<2>,2|C<3>,2|H<1>}	107.4205	0.170	2	107.4205	0.029	2	107.8973	0.697	3	107.3255	2.280	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,2|H<1>}	108.8510	0.000	1	108.8510	0.000	1	107.8973	0.697	3	107.3255	2.280	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)(H)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CH3){1|C<3>,1|H<1>,1|O<2>}	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	107.3255	2.280	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H)	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(O){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]O[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	105.6000	0.243	2	105.6000	0.059	2	105.6000	0.059	2	107.3255	2.280	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:1:	3:4:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H)	N[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]C[5])(O){2|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	106.8230	0.000	1	106.8230	0.000	1	106.8230	0.000	1	106.8230	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:O-2:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]OO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]OO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OC)2{2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|O<2>}	107.6195	0.064	2	107.6195	0.004	2	107.6195	0.004	2	107.3377	0.240	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:S-2:S-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]SS)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]SS)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])2{2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|S<2>}	106.7740	0.000	1	106.7740	0.000	1	106.7740	0.000	1	107.3377	0.240	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	107.8510	0.000	1	107.8510	0.000	1	107.1475	0.990	2	107.1475	0.990	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-2:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN)(OC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	106.4440	0.000	1	106.4440	0.000	1	107.1475	0.990	2	107.1475	0.990	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:S-2:N-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]NS)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(NCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]NS)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(NCN){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	106.7950	0.000	2	106.7950	0.000	2	106.7950	0.000	2	106.7950	0.000	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3)	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3){3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]O)(H){1|C<4>,3|C<3>}	104.2250	0.000	1	104.2250	0.000	1	104.2250	0.000	1	104.2250	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]2)	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(O){1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH){1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]2){3|C<3>,5|C<4>}	105.6030	0.366	2	105.6030	0.134	2	105.6030	0.134	2	107.6603	12.765	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:S[5]-2:S-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]S[5]S)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(SCOO)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]O)	C[5](C[5]C[6a]S[5]S)(N[5]C[6a]C[5])(O){1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(SCOO){1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]O){1|S<4>,2|H<1>,3|C<3>}	111.7750	0.000	1	111.7750	0.000	1	111.7750	0.000	1	107.6603	12.765	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:S-2:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	107.6545	0.158	2	107.6545	0.025	2	107.6545	0.025	2	106.5975	1.498	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:S-4:	C[5](C[5]C[6a]O[5]C)(N[5]C[5]S)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH)	N[5](C[5]C[5]O)(C[5]O[5]O)(SC[6a]OO)	C[5](C[5]C[6a]O[5]C)(N[5]C[5]S)(O){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]O[5]O)(SC[6a]OO){1|C<3>,1|C<4>}	105.5550	0.000	1	105.5550	0.000	1	105.5405	0.000	2	106.5975	1.498	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:S-4:	C[5](C[5]C[6a]O[5]C)(N[5]C[5]S)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	N[5](C[5]C[5]O)(C[5]O[5]O)(SC[6a]OO)	C[5](C[5]C[6a]O[5]C)(N[5]C[5]S)(O){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]O[5]O)(SC[6a]OO){1|C<3>,1|C<4>}	105.5260	0.000	1	105.5260	0.000	1	105.5405	0.000	2	106.5975	1.498	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|Cl<1>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	108.0590	0.000	1	107.0885	0.443	4	107.0885	0.443	4	107.4878	0.482	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(H){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	106.7650	0.191	3	107.0885	0.443	4	107.0885	0.443	4	107.4878	0.482	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	108.5980	0.000	1	108.2170	0.290	2	107.9833	0.131	6	107.4878	0.482	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H){1|O<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	107.8360	0.000	1	108.2170	0.290	2	107.9833	0.131	6	107.4878	0.482	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	107.8665	0.259	4	107.8665	0.067	4	107.9833	0.131	6	107.4878	0.482	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(O){1|S<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|S<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|H<1>,2|C<3>}	106.4390	0.000	1	106.4390	0.000	1	106.8000	0.261	2	107.4878	0.482	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,2|H<1>}	107.1610	0.000	1	107.1610	0.000	1	106.8000	0.261	2	107.4878	0.482	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|P<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){2|H<1>,3|C<3>}	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6]C[5a])(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6]C[5a])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){2|H<1>,3|C<3>}	108.3150	0.000	1	108.3150	0.000	1	108.0645	0.126	2	107.8231	0.190	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5a]H)(N[5]C[5,6a]C)(O){1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]N[5]O)(H){1|Cl<1>,1|C<4>,1|F<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	107.8140	0.000	1	107.8140	0.000	1	108.0645	0.126	2	107.8231	0.190	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(F){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|F<1>,1|H<1>,3|C<3>}	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	107.8231	0.190	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|H<1>,3|C<3>}	108.0545	0.631	2	107.9593	0.087	6	108.0247	0.102	7	107.8231	0.190	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){2|H<1>,3|C<3>}	107.9117	0.053	4	107.9593	0.087	6	108.0247	0.102	7	107.8231	0.190	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.4170	0.000	1	108.4170	0.000	1	108.0247	0.102	7	107.8231	0.190	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	107.3993	0.480	3	107.4920	0.188	4	107.4920	0.188	4	107.8231	0.190	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|H<1>,2|C<3>}	107.7700	0.000	1	107.4920	0.188	4	107.4920	0.188	4	107.8231	0.190	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	3:4:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,2|H<1>,4|C<3>}	105.2700	0.000	1	105.2700	0.000	1	105.2700	0.000	1	105.2700	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	N[5,6]-3:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]C[6a])(O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]C[6a])(O){1|C<4>,6|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,7|C<3>}	107.6510	0.000	1	107.6510	0.000	1	107.5170	0.036	2	107.5170	0.036	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	N[5,6]-3:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]C[6a])(O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,4|C<3>,5|H<1>}	N[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,5|C<3>}	107.3830	0.000	1	107.3830	0.000	1	107.5170	0.036	2	107.5170	0.036	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CCH)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	109.0510	0.000	1	109.0510	0.000	1	110.4575	3.956	2	108.0536	3.715	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6]O)(H){1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	111.8640	0.000	1	111.8640	0.000	1	110.4575	3.956	2	108.0536	3.715	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]2)(COO)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CCHH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]2)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	106.2310	0.000	1	106.2310	0.000	1	106.2310	0.000	1	108.0536	3.715	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>}	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	108.0536	3.715	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	106.5690	0.000	1	106.5690	0.000	1	106.5690	0.000	1	108.0536	3.715	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(O){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(SC[6a]OO){1|H<1>,4|C<3>}	107.2700	0.133	2	107.2700	0.018	2	107.2700	0.018	2	108.0536	3.715	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(OH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	107.8156	0.534	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]S)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(SC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5]S)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(SC){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|S<2>,3|C<3>}	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	107.8156	0.534	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	108.2750	0.000	1	108.2750	0.000	1	107.9725	0.183	2	107.8156	0.534	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]H)(O){1|N<2>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(OH){2|C<3>,2|N<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	107.6700	0.000	1	107.6700	0.000	1	107.9725	0.183	2	107.8156	0.534	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	107.4900	0.000	1	107.6345	0.042	2	107.6345	0.042	2	107.8156	0.534	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	107.7790	0.000	1	107.6345	0.042	2	107.6345	0.042	2	107.8156	0.534	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]2N[5])(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5])	N[5](C[5]C[5]O)(C[5]N[5]N)(H)	C[5](C[5]C[6a]2N[5])(N[5]C[5]H)(O){1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]){1|N<3>,4|C<3>,5|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]N)(H){2|C<3>}	106.5060	0.000	1	106.5060	0.000	1	106.5060	0.000	1	107.8156	0.534	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|O<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,1|O<2>,3|C<3>}	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	107.4203	0.321	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C[6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C[6a])(O){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,3|H<1>,5|C<3>}	107.7310	0.000	1	107.7310	0.000	1	107.7310	0.000	1	107.4203	0.321	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC){3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,1|N<2>,3|C<3>}	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	107.4203	0.321	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]C[6a]O)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6]C[6a]O)(N[5]C[5,6]C)(O){2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH){2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.0160	0.000	1	108.0160	0.000	1	108.0160	0.000	1	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	108.8720	0.255	2	108.8720	0.065	2	108.2421	0.655	7	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCO)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCO)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|H<1>,1|O<2>,3|C<3>}	108.9790	0.000	1	108.9790	0.000	1	108.2421	0.655	7	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)(OC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	106.9890	0.000	1	106.9890	0.000	1	108.2421	0.655	7	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFN)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFN)(OC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	107.3770	0.000	1	107.3770	0.000	1	108.2421	0.655	7	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(COO)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	108.3030	0.448	2	108.3030	0.201	2	108.2421	0.655	7	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5a]HH){1|H<1>,1|O<2>,3|C<3>}	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	107.8630	0.000	1	108.5175	0.857	2	108.5175	0.857	2	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	109.1720	0.000	1	108.5175	0.857	2	108.5175	0.857	2	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N-3:C-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(CC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	106.8420	0.000	1	106.8420	0.000	1	106.8420	0.000	1	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]NO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(OO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]NO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)(OO){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.8580	0.000	1	107.8580	0.000	1	107.8580	0.000	1	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	108.3770	0.283	2	108.3770	0.080	2	108.4450	0.056	6	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	108.3680	0.000	1	108.3680	0.000	1	108.4450	0.056	6	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	108.5680	0.000	1	108.5680	0.000	1	108.4450	0.056	6	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	108.7790	0.000	1	108.7790	0.000	1	108.4450	0.056	6	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5a]O)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(OH){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	108.2010	0.000	1	108.2010	0.000	1	108.4450	0.056	6	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]S)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(SC[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5a]S)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(SC[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OC[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	107.6240	0.000	1	107.6240	0.000	1	108.4172	0.348	4	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|H<1>,1|O<2>,3|C<3>}	108.4060	0.000	1	108.4060	0.000	1	108.4172	0.348	4	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	108.8195	0.301	2	108.8195	0.090	2	108.4172	0.348	4	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]S)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]S)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	106.8420	0.000	1	106.8420	0.000	1	106.3770	0.432	2	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]S)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]S)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(SC[6]){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	105.9120	0.000	1	105.9120	0.000	1	106.3770	0.432	2	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5a]-3:C[5]-3:S-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]N[5a]S)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(SC[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]N[5a]S)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(SC[6a]){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	107.4780	0.160	2	107.4780	0.026	2	107.4780	0.026	2	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]O)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)(OC){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	107.5960	0.106	2	107.5960	0.011	2	107.5960	0.011	2	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5])	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O){1|S<2>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){2|C<3>}	105.0130	0.000	1	105.0130	0.000	1	105.0130	0.000	1	107.9103	0.857	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:2:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:N-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[5]CN)(N[5]N[5]C)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO)	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C[5](C[5]C[5]CN)(N[5]N[5]C)(O){1|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCN)(NCO){1|C<4>}	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>}	104.6845	0.849	2	104.6845	0.721	2	104.6845	0.721	2	104.6845	0.721	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)2{2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	107.6180	0.000	1	107.6180	0.000	1	107.9595	0.233	2	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSiC)(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSiC)(COO){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	108.3010	0.000	1	108.3010	0.000	1	107.9595	0.233	2	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,3|C<3>}	106.2520	0.000	1	106.2520	0.000	1	106.2520	0.000	1	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(NC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]H)(O){1|N<2>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(NC[6a]H){2|C<3>,2|N<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,3|C<3>}	106.9910	0.000	1	106.9910	0.000	1	106.9910	0.000	1	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]H)(O){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]O){2|N<3>,4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	107.6900	0.000	1	107.6900	0.000	1	107.6900	0.000	1	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCC){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	107.1470	0.000	1	107.1470	0.000	1	107.1562	0.555	6	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CNO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CNO){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,4|C<3>}	108.0760	0.000	1	108.0760	0.000	1	107.1562	0.555	6	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,4|C<3>}	106.4735	0.880	2	106.9285	0.574	4	107.1562	0.555	6	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,4|C<3>}	107.6280	0.000	1	106.9285	0.574	4	107.1562	0.555	6	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CN[5]O){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|F<1>,4|C<3>}	107.1390	0.000	1	106.9285	0.574	4	107.1562	0.555	6	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,3|C<3>}	108.4600	0.000	1	108.4600	0.000	1	108.4600	0.000	1	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,5|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,4|C<3>}	108.8665	0.104	2	108.8297	0.008	7	108.8297	0.008	7	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|O<2>,5|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	108.8032	0.103	4	108.8297	0.008	7	108.8297	0.008	7	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]H)(O){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){6|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	108.8620	0.000	1	108.8297	0.008	7	108.8297	0.008	7	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]N[5a]C[6])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]N[5a]C[6])(N[5]C[5,6a]H)(O){1|N<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2){1|C<2>,1|N<2>,4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,3|C<3>}	106.5130	0.000	1	106.5130	0.000	1	106.5130	0.000	1	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]N)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NCH)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]N)(N[5]C[5]H)(O){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NCH){3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|N<3>,4|C<3>}	106.6540	0.000	1	106.6540	0.000	1	106.6540	0.000	1	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(COO)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(COO){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	106.0250	0.000	1	106.0250	0.000	1	106.0250	0.000	1	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]2N[5])(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]C[6a]2N[5])(N[5]C[5]H)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|O<1>,4|C<3>,5|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|H<1>,2|C<3>}	106.1590	0.000	1	106.1590	0.000	1	106.4065	0.123	2	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]2N[5])(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](C[5]C[6a]2N[5])(N[5]C[5]H)(O){1|H<1>,1|S<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|S<1>,4|C<3>,5|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|H<1>,2|C<3>}	106.6540	0.000	1	106.6540	0.000	1	106.4065	0.123	2	107.5859	1.111	24	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5a]-3:C[5]-3:C[5]-3:N-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]C[5]N)(N[5]C[6a]N[5])(O)	C[5](C[5a]C[5a]2)(C[5]N[5]C)(C[5]N[5]O)(NCH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5a]C[5]N)(N[5]C[6a]N[5])(O){1|C<4>,4|C<3>}	C[5](C[5a]C[5a]2)(C[5]N[5]C)(C[5]N[5]O)(NCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	104.9175	0.357	2	104.9175	0.128	2	104.9175	0.128	2	105.9742	1.096	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[6a]2N[5])(N[5]C[5]N)(O)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NC)	C[5](C[5]C[6a]2N[5])(N[5]C[5]N)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|N<2>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(NC){1|H<1>,2|C<3>}	106.6787	0.516	3	106.6787	0.267	3	106.6787	0.267	3	105.9742	1.096	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO){1|O<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,4|C<3>}	107.2830	0.000	1	107.2830	0.000	1	107.2830	0.000	1	107.7241	1.224	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCN){3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,1|N<3>,3|C<3>}	106.4280	0.000	1	106.4280	0.000	1	107.0037	2.149	3	107.7241	1.224	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H){3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	107.2915	1.949	2	107.2915	3.801	2	107.0037	2.149	3	107.7241	1.224	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){5|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,4|C<3>}	108.7830	0.175	2	108.7830	0.031	2	108.7830	0.031	2	107.7241	1.224	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[6a]2N[5])(N[5]C[5]N)(O)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(NHH)	C[5](C[5]C[6a]2N[5])(N[5]C[5]N)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(NHH){1|H<1>,2|C<3>}	107.9665	0.353	2	107.9665	0.125	2	107.9665	0.125	2	107.7241	1.224	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	108.1880	0.000	1	108.1880	0.000	1	108.0650	0.216	3	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	108.4560	0.000	1	108.4560	0.000	1	108.0650	0.216	3	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	107.5510	0.000	1	107.5510	0.000	1	108.0650	0.216	3	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(NCH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	107.8490	0.000	1	107.8490	0.000	1	107.8490	0.000	1	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O){1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,4|C<3>}	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]NN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	108.1080	0.034	2	108.1080	0.001	2	108.1080	0.001	2	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N[4]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]N[4]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[4]C[4]2)(CNO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]N[4]C)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[4]C[4]2)(CNO){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	107.3480	0.000	1	107.3480	0.000	1	107.3480	0.000	1	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N[6]-3:N[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]N[6]2)(N[5]C[5,6a]C)(O){2|C<3>,4|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]2)2{2|C<3>,5|C<4>,9|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,2|C<3>,2|N<3>}	108.2480	0.280	2	108.2480	0.078	2	108.2480	0.078	2	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2){1|O<1>,2|H<1>,2|N<3>,3|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	108.1125	0.267	2	108.1125	0.071	2	108.1125	0.071	2	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	107.4940	1.334	2	107.4940	1.778	2	107.4755	0.593	4	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]C[5a]N)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	107.4570	0.000	2	107.4570	0.000	2	107.4755	0.593	4	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	108.0010	0.000	1	108.0010	0.000	1	108.0010	0.000	1	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,4|C<3>}	108.8860	0.000	1	108.8860	0.000	1	108.6133	0.060	3	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	108.5410	0.000	1	108.5410	0.000	1	108.6133	0.060	3	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C[5](C[5]C[5,6a]C[5a]C[6a])(N[5]C[5,6a]C)(O){1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|Br<1>,4|C<3>}	108.4130	0.000	1	108.4130	0.000	1	108.6133	0.060	3	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCH){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	107.7065	0.145	2	107.7065	0.021	2	107.9105	0.063	4	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,4|C<3>}	108.1350	0.000	1	108.1350	0.000	1	107.9105	0.063	4	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(COO){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,4|C<3>}	108.0940	0.000	1	108.0940	0.000	1	107.9105	0.063	4	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	107.5970	0.000	1	107.5970	0.000	1	107.9461	0.473	7	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	108.5090	0.000	1	108.0300	0.231	3	107.9461	0.473	7	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	107.7905	0.344	2	108.0300	0.231	3	107.9461	0.473	7	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|H<1>,1|N<3>,3|C<3>}	109.1970	0.000	1	109.1970	0.000	1	107.9461	0.473	7	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6a]N)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	107.3695	0.063	2	107.3695	0.004	2	107.9461	0.473	7	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|C<4>,5|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,4|C<3>}	108.0725	0.173	2	108.0725	0.030	2	108.0840	0.015	3	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]2)(N[5]C[5,6a]C)(O){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]N[5]O){1|C<4>,5|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,4|C<3>}	108.1070	0.000	1	108.1070	0.000	1	108.0840	0.015	3	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]N[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(NC[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]N[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(NC[6a]C){3|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	106.6490	0.000	1	106.6490	0.000	1	106.6490	0.000	1	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	107.4860	0.000	1	107.4860	0.000	1	107.5783	0.122	3	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]N[5a]N)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>}	107.6245	0.480	2	107.6245	0.231	2	107.5783	0.122	3	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]N[5a])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6a]N[5a])(N[5]C[5,6a]C)(O){1|N<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)	N[5](C[5]C[5]O)2(CC3)	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(O){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)2(CC3){1|N<3>,2|C<3>}	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O){1|C<4>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<4>,2|C<3>}	106.7420	0.000	1	106.7420	0.000	1	106.8834	0.139	10	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<3>}	106.8848	0.462	6	106.8848	0.213	6	106.8834	0.139	10	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	106.8470	0.342	2	106.8470	0.117	2	106.8834	0.139	10	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C[5](C[5]C[6a]2N[5])(N[5]C[5]C)(O){1|H<1>,1|S<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|S<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|H<1>,2|C<3>}	107.0890	0.000	1	107.0890	0.000	1	106.8834	0.139	10	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[6a]2N[5])(N[5]C[5]Si)(O)	C[5](C[6a]C[6a]2)2(N[5]C[5]Si)(C[5]N[5]O)	N[5](C[5]C[5]O)(C[5]N[5]O)(SiC3)	C[5](C[5]C[6a]2N[5])(N[5]C[5]Si)(O){1|Si<4>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]C[5]Si)(C[5]N[5]O){1|Si<4>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(SiC3){1|Si<4>,2|C<3>}	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	107.7483	0.447	51	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[6a]-3:C[5]-3:N-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]N)(N[5]C[5,6]H)(O)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]N)(N[5]C[5,6]H)(O){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5a]-3:C[6a]-3:C[5]-3:N[5]-3:	S[5]-4:C[5]-3:C-4:	C[5](C[5]C[5a]C[6a]N[5])(N[5]S[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]S[5]H)	N[5](S[5]N[5]OO)(C[5]C[5]O)(CC[6a]2H)	C[5](C[5]C[5a]C[6a]N[5])(N[5]S[5]C)(O){1|H<1>,2|O<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]S[5]H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	N[5](S[5]N[5]OO)(C[5]C[5]O)(CC[6a]2H){1|H<1>,2|C<3>}	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	109.4746	1.628	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(CCH)	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(O){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(CCH){1|S<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){3|C<3>}	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	109.4746	1.628	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[6]-3:N[5]-3:	S[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]C[6]N[5])(N[5]S[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(C[6]C[6]2)(N[5]S[5]H)	N[5](S[5]N[5]OO)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[6]N[5])(N[5]S[5]C)(O){1|C<2>,1|H<1>,2|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(C[6]C[6]2)(N[5]S[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5](S[5]N[5]OO)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>}	110.9800	0.000	1	110.9800	0.000	1	110.9800	0.000	1	109.4746	1.628	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCC)	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCC){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>}	108.3580	0.000	1	108.3580	0.000	1	108.3580	0.000	1	109.4746	1.628	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	S[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]2N[5])(N[5]S[5]C)(O)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]S[5]H)	N[5](S[5]N[5]OO)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]2N[5])(N[5]S[5]C)(O){1|H<1>,2|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]S[5]H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	N[5](S[5]N[5]OO)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>}	110.2160	0.000	1	110.2160	0.000	1	110.2160	0.000	1	109.4746	1.628	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5]O)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5]O)(CH3){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,1|C<4>,3|C<3>}	107.5390	0.000	1	107.5390	0.000	1	107.5390	0.000	1	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH){2|H<1>,2|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	108.6370	0.000	1	108.6370	0.000	1	108.6370	0.000	1	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.6140	0.000	1	108.6140	0.000	1	108.3287	0.068	3	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)(CH3){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1860	0.122	2	108.1860	0.015	2	108.3287	0.068	3	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH){1|N<3>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	108.5800	0.000	1	108.5800	0.000	1	108.4325	0.114	4	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH){1|N<3>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	108.5985	0.187	2	108.5985	0.035	2	108.4325	0.114	4	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O){1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	107.9530	0.000	1	107.9530	0.000	1	108.4325	0.114	4	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3){1|O<2>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	108.3455	0.472	2	108.3455	0.222	2	108.0050	0.401	7	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	108.0650	0.318	2	108.0650	0.101	2	108.0050	0.401	7	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(H){1|C<4>,3|C<3>}	108.7800	0.000	1	108.7800	0.000	1	108.0050	0.401	7	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH){1|Br<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	107.2560	0.000	1	107.2170	0.003	2	108.0050	0.401	7	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH){1|Br<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<4>,3|C<3>}	107.1780	0.000	1	107.2170	0.003	2	108.0050	0.401	7	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.0060	0.000	1	107.0060	0.000	1	107.0060	0.000	1	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]H)(O){1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[6]-3:N[5]-3:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6]N[5]C)(N[5]C[5]H)(O)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]C[6]N[5]C)(N[5]C[5]H)(O){1|Pt<4>,1|C<3>,1|N<3>,1|O<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]O)(CH3){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|Pt<4>,1|C<3>,1|C<4>}	104.1680	0.371	2	104.1680	0.137	2	104.1680	0.137	2	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	106.9465	0.348	6	106.9465	0.121	6	107.2832	0.321	11	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]S)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O){1|O<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]S)(CH3){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|S<4>}	107.8720	0.376	4	107.8720	0.141	4	107.2832	0.321	11	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]N[6a])(C[5]N[5]O)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[6a]C[6a]N[6a])(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|H<1>}	106.9480	0.000	1	106.9480	0.000	1	107.2832	0.321	11	107.5278	1.269	31	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O){1|C<4>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	105.4740	0.000	1	105.4740	0.000	1	105.8240	0.245	2	105.8240	0.245	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O){1|C<4>,1|N<2>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	106.1740	0.000	1	106.1740	0.000	1	105.8240	0.245	2	105.8240	0.245	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	107.9093	0.575	3	107.9093	0.330	3	108.0484	0.149	7	107.7704	0.482	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH){3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	108.0450	0.008	2	108.0450	0.000	2	108.0484	0.149	7	107.7704	0.482	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	108.4650	0.000	1	108.4650	0.000	1	108.0484	0.149	7	107.7704	0.482	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN){3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	108.0560	0.000	1	108.0560	0.000	1	108.0484	0.149	7	107.7704	0.482	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C[6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C[6a])(O){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,5|C<3>}	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	107.7704	0.482	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]N[5]C)(N[5]C[6a]C[5])(O)	C[5](C[5a]C[5a]O[5a])(C[5]N[5]O)(N[5]C[5]H)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S)	C[5](C[5]C[5a]N[5]C)(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,1|S<1>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(C[5]N[5]O)(N[5]C[5]H)(CH3){1|H<1>,1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S){1|C<4>,3|C<3>,3|H<1>}	106.8520	0.000	1	106.8520	0.000	1	106.8520	0.000	1	107.7704	0.482	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]N)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(NHH)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	106.3810	0.000	1	106.3810	0.000	1	106.3810	0.000	1	107.7704	0.482	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F)(CF3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F)(CF3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	106.7955	0.063	2	106.7955	0.004	2	107.8477	1.029	6	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.2240	0.000	1	108.8660	0.824	2	107.8477	1.029	6	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<4>,3|C<3>}	109.5080	0.000	1	108.8660	0.824	2	107.8477	1.029	6	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.7650	0.000	1	107.7650	0.000	1	107.8477	1.029	6	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.9980	0.000	1	107.9980	0.000	1	107.8477	1.029	6	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]S)(O){1|C<4>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	108.3610	0.000	1	108.3610	0.000	1	108.7195	0.257	2	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.0780	0.000	1	109.0780	0.000	1	108.7195	0.257	2	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]2)(CC[6a]CH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]2)(CC[6a]CH){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.7045	0.018	2	108.7045	0.000	2	108.4651	1.047	7	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.9140	0.000	1	108.9140	0.000	1	108.4651	1.047	7	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.6950	0.000	1	108.6950	0.000	1	108.4651	1.047	7	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.2500	2.301	2	108.2500	5.294	2	108.4651	1.047	7	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.7380	0.000	1	107.7380	0.000	1	108.4651	1.047	7	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]N[5]O)(CPdCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.7437	0.747	3	108.7437	0.558	3	108.4095	0.243	21	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.4170	0.000	1	107.4170	0.000	1	108.4095	0.243	21	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.9400	0.000	1	108.0750	0.036	2	108.4095	0.243	21	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.2100	0.000	1	108.0750	0.036	2	108.4095	0.243	21	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.1520	0.713	2	108.1520	0.508	2	108.4095	0.243	21	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	108.9615	0.204	2	108.9615	0.042	2	108.4095	0.243	21	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.8360	0.000	1	108.4613	0.334	3	108.4095	0.243	21	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>}	108.7740	0.286	2	108.4613	0.334	3	108.4095	0.243	21	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.2670	0.000	1	108.2130	0.006	2	108.4095	0.243	21	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.1590	0.000	1	108.2130	0.006	2	108.4095	0.243	21	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.4240	0.000	1	108.4240	0.000	1	108.4095	0.243	21	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.5480	0.000	1	108.5480	0.000	1	108.4095	0.243	21	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.5293	0.053	3	108.5293	0.003	3	108.4095	0.243	21	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CPdHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CPdHH){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.2050	0.000	1	108.2050	0.000	1	108.4095	0.243	21	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH){1|S<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	108.5380	0.000	1	108.5380	0.000	1	108.1350	0.325	2	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI){1|S<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	107.7320	0.000	1	107.7320	0.000	1	108.1350	0.325	2	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.2590	0.000	1	109.2590	0.000	1	109.2590	0.000	1	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.6610	0.000	1	108.6610	0.000	1	107.9954	0.228	5	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4900	0.000	1	107.4900	0.000	1	107.9954	0.228	5	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8745	0.424	2	107.9420	0.103	3	107.9954	0.228	5	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0770	0.000	1	107.9420	0.103	3	107.9954	0.228	5	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>}	106.6797	0.346	3	106.6797	0.120	3	107.1167	0.452	7	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	106.4320	0.000	1	106.4320	0.000	1	107.1167	0.452	7	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]N)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]N)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	107.7820	0.229	3	107.7820	0.052	3	107.1167	0.452	7	108.1518	0.636	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:4:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3){3|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,2|C<4>,4|C<3>}	105.8250	0.000	1	105.8250	0.000	1	105.8250	0.000	1	105.8250	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)(CH3)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)(CH3){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){1|Cl<1>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	107.6190	0.188	3	107.4432	0.085	5	107.4432	0.085	5	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	107.1795	0.192	2	107.4432	0.085	5	107.4432	0.085	5	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(F){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	108.3080	0.000	1	108.3080	0.000	1	107.9290	0.225	6	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	108.0700	0.000	1	108.0700	0.000	1	107.9290	0.225	6	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	108.2615	0.035	2	108.2615	0.001	2	107.9290	0.225	6	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	107.4680	0.000	1	107.4680	0.000	1	107.9290	0.225	6	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	107.2050	0.000	1	107.2050	0.000	1	107.9290	0.225	6	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:S-4:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a]OO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a]OO)(H){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|S<4>,2|C<3>,2|H<1>}	107.4340	0.000	1	107.4340	0.000	1	107.4340	0.000	1	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|C<3>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|C<3>,1|C<4>,1|H<1>}	106.1365	0.251	2	106.1365	0.063	2	106.8203	0.220	10	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|C<3>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|C<3>,1|C<4>,1|H<1>}	106.6410	0.000	1	106.6410	0.000	1	106.8203	0.220	10	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|C<3>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|C<3>,1|C<4>,1|H<1>}	107.1480	0.000	1	107.1480	0.000	1	106.8203	0.220	10	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	106.7890	0.000	1	106.7890	0.000	1	106.8203	0.220	10	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|H<1>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){1|C<4>,2|H<1>}	106.5490	0.000	1	106.5490	0.000	1	106.8203	0.220	10	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	107.1267	0.248	3	107.1267	0.062	3	106.8203	0.220	10	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|C<4>,2|H<1>}	107.4230	0.000	1	107.4230	0.000	1	106.8203	0.220	10	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]CH)(N[5]C[5,6]H)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HO)(H)	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]H)(O){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HO)(H){2|C<3>,2|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]N[5]CH)(N[5]C[5]Br)(O)	C[5](N[5]C[5]Br)(C[5]N[5]O)(CCHH)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(Br)	C[5](C[5]N[5]CH)(N[5]C[5]Br)(O){1|Br<1>,1|O<1>}	C[5](N[5]C[5]Br)(C[5]N[5]O)(CCHH)(H){1|Br<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(Br){1|Br<1>,1|C<4>,1|H<1>}	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	107.2615	0.374	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:Br-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]BrC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(Br)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]BrC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(Br){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	107.0800	0.000	1	107.0800	0.000	1	107.0800	0.000	1	107.5552	0.196	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,2|C<3>,2|F<1>}	107.4620	0.000	1	107.4620	0.000	1	107.4620	0.000	1	107.5552	0.196	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H){1|Cl<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,2|C<3>,2|H<1>}	108.0110	0.000	1	108.0110	0.000	1	108.0110	0.000	1	107.5552	0.196	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	N[5](C[5]C[5]O)2(COO)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(COO){1|C<3>,1|C<4>,1|H<1>}	107.6115	0.579	2	107.6115	0.335	2	107.6115	0.335	2	107.5552	0.196	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:Ga-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]GaH)(N[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaCl3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)	C[5](C[5]C[5,6a]GaH)(N[5]C[5,6a]C)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaCl3)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3){1|Ga<4>,2|C<3>,2|H<1>}	110.4475	0.575	2	110.4475	0.330	2	110.4475	0.330	2	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	108.2620	0.000	1	108.2620	0.000	1	107.8403	0.396	12	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(F){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	107.9200	0.731	2	107.9200	0.535	2	107.8403	0.396	12	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	107.6702	0.738	4	107.6658	0.408	5	107.8403	0.396	12	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|Cl<1>,1|C<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	107.6480	0.000	1	107.6658	0.408	5	107.8403	0.396	12	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(F){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	107.9133	0.780	4	107.9133	0.609	4	107.8403	0.396	12	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H){1|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	107.6635	0.040	2	108.0967	0.564	3	108.1660	0.194	18	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H){2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	108.9630	0.000	1	108.0967	0.564	3	108.1660	0.194	18	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	108.6550	0.000	1	108.6550	0.000	1	108.1660	0.194	18	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	108.6870	0.594	2	108.6870	0.353	2	108.1660	0.194	18	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	107.7870	0.000	1	107.7870	0.000	1	108.1660	0.194	18	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	108.2000	0.000	1	108.2000	0.000	1	108.1660	0.194	18	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	107.9870	0.000	1	107.9870	0.000	1	108.1660	0.194	18	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H){2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	108.1223	0.315	4	108.1223	0.099	4	108.1660	0.194	18	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	107.6790	0.000	1	107.6790	0.000	1	108.1660	0.194	18	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	107.8220	0.000	1	107.8220	0.000	1	108.1660	0.194	18	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	108.1395	0.339	2	108.1395	0.115	2	108.1660	0.194	18	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	108.4260	0.000	1	108.4260	0.000	1	108.1660	0.194	18	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){2|C<4>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	107.2730	0.000	1	107.2730	0.000	1	107.2730	0.000	1	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	107.1690	0.000	1	107.1690	0.000	1	106.9909	0.249	7	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]HH)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]HH)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	106.8630	0.000	1	106.8630	0.000	1	106.9909	0.249	7	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<4>,2|H<1>}	107.1940	0.000	1	107.1940	0.000	1	106.9909	0.249	7	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]O)(C[5]N[5]N)(CCHH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|H<1>,1|N<2>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|C<4>,1|N<2>}	N[5](C[5]C[5]O)(C[5]N[5]N)(CCHH){1|C<4>,2|H<1>}	105.9550	0.000	1	105.9550	0.000	1	106.9909	0.249	7	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	106.9910	0.000	1	106.9910	0.000	1	106.9909	0.249	7	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH){1|C<4>,2|H<1>}	107.3820	0.156	2	107.3820	0.024	2	106.9909	0.249	7	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCCH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,1|S<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCCH){1|C<3>,1|C<4>,1|H<1>}	107.1570	0.000	1	107.1570	0.000	1	106.8460	0.193	2	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,1|S<1>,2|C<3>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	106.5350	0.000	1	106.5350	0.000	1	106.8460	0.193	2	107.9085	0.773	43	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]N[5,6]CH)(N[5]C[5,6]H)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)(H)	N[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]O)(H)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]H)(O){3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)(H){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:N-2:	C[5](C[5]N[5]CH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(NC)	C[5](C[5]N[5]CH)(N[5]C[5]N)(O){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(NC){1|C<4>,2|C<3>,2|H<1>}	107.3810	0.919	2	107.3810	0.845	2	107.0250	0.803	3	107.0250	0.803	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:N-2:	C[5](C[5]N[5]CH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(NC)	C[5](C[5]N[5]CH)(N[5]C[5]N)(O){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(NC){1|C<4>,2|C<3>,2|H<1>}	106.3130	0.000	1	106.3130	0.000	1	107.0250	0.803	3	107.0250	0.803	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|H<1>,2|C<4>}	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	108.7215	0.046	2	108.7215	0.002	2	108.3286	1.395	18	108.3195	1.320	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<4>,2|C<3>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.9155	0.353	2	108.9155	0.125	2	108.3286	1.395	18	108.3195	1.320	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,2|C<4>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){3|C<4>}	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	108.9850	0.000	1	108.9850	0.000	1	108.3286	1.395	18	108.3195	1.320	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,2|C<4>}	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	109.0723	0.112	3	109.0723	0.012	3	108.3286	1.395	18	108.3195	1.320	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]N[5]CO)(C[5]C[5]O)(CH3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|O<2>,2|C<4>}	N[5](C[5]N[5]CO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	109.2055	0.046	2	109.2055	0.002	2	108.3286	1.395	18	108.3195	1.320	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]N[5]HH)(C[5]C[5]O)(CC3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|H<1>}	N[5](C[5]N[5]HH)(C[5]C[5]O)(CC3){1|H<1>,2|C<4>}	107.6560	0.000	1	107.6560	0.000	1	108.3286	1.395	18	108.3195	1.320	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]N[5]HH)(C[5]C[5]O)(CCCH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|H<1>}	N[5](C[5]N[5]HH)(C[5]C[5]O)(CCCH){1|H<1>,2|C<4>}	107.1470	0.000	1	107.1470	0.000	1	108.3286	1.395	18	108.3195	1.320	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H)	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H){1|H<1>,2|C<4>}	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	108.9915	0.059	2	108.9915	0.003	2	108.3286	1.395	18	108.3195	1.320	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC3)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC3)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	107.9870	0.208	2	107.9870	0.043	2	108.3286	1.395	18	108.3195	1.320	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	105.6340	1.189	2	105.6340	1.415	2	108.3286	1.395	18	108.3195	1.320	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){3|C<4>}	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,4|C<4>}	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|H<1>,2|C<4>}	108.1560	0.000	1	108.1560	0.000	1	108.1560	0.000	1	108.3195	1.320	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:2:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[5]CO)(N[5]N[5]C)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH)	N[5](C[5]C[5]O)(N[5]C[5])(CC3)	C[5](C[5]C[5]CO)(N[5]N[5]C)(O){1|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH){1|C<4>}	N[5](C[5]C[5]O)(N[5]C[5])(CC3){1|O<2>,2|C<4>}	106.6120	0.000	1	106.6120	0.000	1	106.6120	0.000	1	106.6120	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.2870	0.000	1	108.2870	0.000	1	108.2682	0.339	34	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.7570	0.000	1	108.6603	0.201	15	108.2682	0.339	34	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.6534	0.465	14	108.6603	0.201	15	108.2682	0.339	34	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|I<1>,1|O<2>,2|C<3>}	108.3485	0.588	2	108.3485	0.345	2	108.2682	0.339	34	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(OH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.9870	0.000	1	108.9870	0.000	1	108.2682	0.339	34	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(OH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.8550	0.684	2	107.8550	0.469	2	108.2682	0.339	34	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(OH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.1220	0.000	1	108.1220	0.000	1	108.2682	0.339	34	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6840	0.000	1	107.6840	0.000	1	108.2682	0.339	34	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.1295	0.517	2	108.1295	0.267	2	108.2682	0.339	34	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.8450	0.000	1	107.8450	0.000	1	108.2682	0.339	34	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.2620	0.000	1	107.2620	0.000	1	108.2682	0.339	34	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OO){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.7990	0.141	3	107.7990	0.020	3	108.2682	0.339	34	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.8357	0.542	3	107.8357	0.293	3	108.2682	0.339	34	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.4570	0.000	1	107.4570	0.000	1	108.2682	0.339	34	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:S-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(SC[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(SC[6a]){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	106.7600	0.000	1	106.7600	0.000	1	106.7600	0.000	1	108.2194	0.384	36	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.5000	0.000	1	108.5000	0.000	1	108.5000	0.000	1	108.9550	13.285	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(O){1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	105.5590	0.000	1	105.5590	0.000	1	105.5590	0.000	1	108.9550	13.285	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:C-4:S[5]-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]S[5]C)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(S[5]C[5])	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]O)	C[5](C[5]C[6a]S[5]C)(N[5]C[6a]C[5])(O){1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]O){1|C<4>,2|H<1>,3|C<3>}	112.8060	0.000	1	112.8060	0.000	1	112.8060	0.000	1	108.9550	13.285	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	108.2390	0.000	1	108.2390	0.000	1	108.2390	0.000	1	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6790	0.000	1	107.6790	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|Br<1>,1|C<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.8290	0.044	2	108.0516	0.131	5	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.2000	0.423	3	108.0516	0.131	5	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.0830	0.000	1	109.0830	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.4350	0.000	1	108.4350	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.7310	0.000	1	107.7310	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6560	0.000	1	107.6560	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	109.2250	0.000	1	108.7331	0.111	8	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.6629	0.290	7	108.7331	0.111	8	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.1270	0.598	2	109.1270	0.358	2	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(OH){2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6170	0.000	1	107.6170	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	106.1970	0.000	1	106.1970	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.8890	0.000	1	108.8890	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.7660	0.000	1	108.7660	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|F<1>,1|O<2>,2|C<3>}	108.9250	0.429	2	108.5419	0.181	7	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.3886	0.351	5	108.5419	0.181	7	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.2907	0.761	3	108.2907	0.580	3	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.2060	0.000	1	108.2060	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.9960	0.000	1	108.9960	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.3310	0.000	1	108.3310	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.0590	0.000	1	107.0590	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.3485	0.166	4	108.3485	0.027	4	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFFN)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFFN)(OC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	106.8520	0.000	1	106.8520	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.2810	0.000	2	107.2810	0.000	2	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.0480	0.000	1	109.0480	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.3403	0.746	3	108.3403	0.557	3	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.6640	0.000	1	108.6640	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5a]HH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.0540	0.000	1	108.0540	0.000	1	108.2996	0.457	51	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]S)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC){1|H<1>,1|S<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH)	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH){1|C<3>,1|C<4>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCCH){1|C<4>,1|O<2>,3|C<3>}	107.1680	0.107	2	107.1680	0.012	2	107.1680	0.012	2	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:S-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CS)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a])	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CS)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a]){2|C<4>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|S<2>}	106.8250	0.000	1	106.8250	0.000	1	106.8250	0.000	1	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:Se-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]SeC)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SeC[6a])	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]SeC)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SeC[6a]){2|C<4>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|Se<2>,1|C<3>,1|C<4>}	106.6930	0.000	1	106.6930	0.000	1	106.6930	0.000	1	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CO)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(OH)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]CO)(N[5]C[5]C)(O){1|C<4>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(OH){1|C<4>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|O<2>,2|C<4>}	107.5515	0.267	2	107.5515	0.071	2	107.5515	0.071	2	108.1655	0.541	59	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:2:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5]C[5]CC)(N[5]N[5]C)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(COO)	N[5](C[5]C[5]O)(N[5]C[5])(CH3)	C[5](C[5]C[5]CC)(N[5]N[5]C)(O){1|C<4>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(COO){1|C<4>}	N[5](C[5]C[5]O)(N[5]C[5])(CH3){1|C<3>,2|C<4>}	105.1430	0.000	2	105.1430	0.000	2	105.1430	0.000	2	105.1430	0.000	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(COO){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	107.8398	0.097	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NCN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NCN){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.6940	0.089	2	107.6940	0.008	2	107.7698	0.133	6	107.8398	0.097	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NHH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.2020	0.052	2	108.2020	0.003	2	107.7698	0.133	6	107.8398	0.097	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CF3)(NHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CF3)(NHS){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	107.4135	0.120	2	107.4135	0.014	2	107.7698	0.133	6	107.8398	0.097	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(O){1|H<1>,1|S<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O){2|N<3>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	107.9745	0.357	2	107.9745	0.128	2	107.9745	0.128	2	107.8398	0.097	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]2H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]2H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	107.8650	0.000	1	107.8650	0.000	1	107.8650	0.000	1	107.8398	0.097	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	108.0340	0.167	2	108.0340	0.028	2	108.0340	0.028	2	107.9382	0.349	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]N[5]O){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	107.9382	0.349	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]2C[5])(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[6a]2C[5])(N[5]C[6a]C[5])(O){1|O<1>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,4|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	108.0397	0.843	3	108.0397	0.711	3	108.0397	0.711	3	107.9382	0.349	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(CCC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.7920	0.000	1	107.7920	0.000	1	108.1316	0.092	9	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.7210	0.000	1	107.7210	0.000	1	108.1316	0.092	9	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCC){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.3610	0.008	2	108.3610	0.000	2	108.1316	0.092	9	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){2|C<4>,3|C<3>}	108.5770	0.000	1	108.5770	0.000	1	108.1316	0.092	9	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.0930	0.220	4	108.0930	0.049	4	108.1316	0.092	9	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SCOO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(COO){1|H<1>,1|S<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SCOO){1|C<4>,1|H<1>,3|C<3>}	107.9940	0.000	2	107.9940	0.000	2	107.9940	0.000	2	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.4175	0.366	2	108.4175	0.134	2	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	107.5830	0.000	1	107.5830	0.000	1	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.7370	0.000	1	108.7370	0.000	1	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.5910	0.000	1	108.5910	0.000	1	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1560	0.248	3	108.1560	0.061	3	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0190	0.000	1	108.0190	0.000	1	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.3985	1.273	2	107.3985	1.622	2	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1980	0.000	1	108.1980	0.000	1	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4800	0.458	2	107.4800	0.210	2	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8010	0.000	1	107.8010	0.000	1	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.6050	0.000	1	107.6050	0.000	1	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.7110	0.000	1	108.7110	0.000	1	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]HH)(NHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]HH)(NHS){1|Br<1>,1|C<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8150	0.000	1	107.8150	0.000	1	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	108.2620	0.266	2	108.2823	0.098	6	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.2925	0.373	4	108.2823	0.098	6	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CN)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CN)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.0680	0.000	1	107.0680	0.000	1	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.6870	0.279	5	107.6870	0.078	5	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0580	0.000	1	108.0580	0.000	1	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFNS)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFNS)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.3530	0.000	1	107.3530	0.000	1	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4940	0.000	1	107.4940	0.000	1	107.9461	0.276	33	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5a]C[5])(N[5]C[5,6a]C)(O){1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,2|N<3>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O){1|C<4>,2|H<1>,2|N<3>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.8857	0.091	3	108.8857	0.008	3	108.8857	0.008	3	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(CNO)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(CNO){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>}	106.9500	0.000	1	106.9500	0.000	1	106.8405	0.024	2	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]O)(CCHH)(CNO)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|O<1>,1|O<2>}	C[5](C[5]N[5]O)(N[5]C[5]O)(CCHH)(CNO){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	106.7310	0.000	1	106.7310	0.000	1	106.8405	0.024	2	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:N-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CN)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH)	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]CN)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH){1|C<4>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(CCHH){1|C<4>,1|H<1>,1|N<3>}	107.4135	0.046	2	107.4135	0.002	2	107.4135	0.002	2	107.9885	0.309	53	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(N[5]C[5]H)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	109.6423	0.490	4	109.6423	0.240	4	109.6423	0.240	4	109.4610	0.345	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]2C[5])(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[6a]2C[5])(N[5]C[5]H)(O){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,4|C<3>,6|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|H<1>}	108.7360	0.000	1	108.7360	0.000	1	108.7360	0.000	1	109.4610	0.345	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CN)(N[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5]CN)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]O){1|C<4>,1|N<3>,1|O<1>}	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<3>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	109.5547	0.065	3	109.5547	0.004	3	109.4988	0.015	4	109.4988	0.015	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	109.3310	0.000	1	109.3310	0.000	1	109.4988	0.015	4	109.4988	0.015	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:2:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5]CC)(N[5]N[5]H)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCHH)2	N[5](C[5]C[5]O)(N[5]C[5])(H)	C[5](C[5]C[5]CC)(N[5]N[5]H)(O){1|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCHH)2{1|H<1>,2|C<3>}	N[5](C[5]C[5]O)(N[5]C[5])(H){1|C<3>,2|C<4>}	106.7270	0.000	1	106.7270	0.000	1	106.9165	0.072	2	106.9165	0.072	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:2:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5]CC)(N[5]N[5]H)(O)	C[5](C[5]N[5]N)(C[5]N[5]O)(CH3)2	N[5](C[5]C[5]O)(N[5]C[5])(H)	C[5](C[5]C[5]CC)(N[5]N[5]H)(O){1|N<3>}	C[5](C[5]N[5]N)(C[5]N[5]O)(CH3)2{1|H<1>}	N[5](C[5]C[5]O)(N[5]C[5])(H){1|N<3>,2|C<4>}	107.1060	0.000	1	107.1060	0.000	1	106.9165	0.072	2	106.9165	0.072	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O){1|H<1>,2|C<3>,2|C<4>}	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.8270	0.000	1	107.6062	0.040	4	107.7375	0.295	8	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.5327	0.164	3	107.6062	0.040	4	107.7375	0.295	8	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.2040	0.000	1	107.2040	0.000	1	107.7375	0.295	8	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.4360	0.000	1	108.4360	0.000	1	107.7375	0.295	8	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.6380	0.000	1	108.6380	0.000	1	107.7375	0.295	8	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.1970	0.000	1	107.1970	0.000	1	107.7375	0.295	8	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CC)(N[5]N[5]H)(O)	C[5](C[5]N[5]O)2(CH3)2	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(N[5]N[5]H)(O){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)2(CH3)2{1|C<4>,1|H<1>}	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	N[5](C[5]C[5]O)(C[5]N[5]S)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|C<4>,1|S<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|H<1>,1|S<1>}	N[5](C[5]C[5]O)(C[5]N[5]S)(H){3|C<4>}	106.7405	0.414	2	106.7405	0.171	2	107.1310	0.210	5	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	107.6440	0.000	1	107.6440	0.000	1	107.1310	0.210	5	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHN)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHN)(CH3){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	107.4470	0.000	1	107.4470	0.000	1	107.1310	0.210	5	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HN)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HN)(CH3){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(H){1|H<1>,2|C<4>}	107.0830	0.000	1	107.0830	0.000	1	107.1310	0.210	5	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	N[5,6]-3:C[5]-3:C-4:C-4:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]CC)(N[5]C[5,6]H)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CCHH)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]N[5,6]CC)(N[5]C[5,6]H)(O){2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CCHH)2{2|C<3>,2|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.5700	0.000	1	107.5700	0.000	1	107.5700	0.000	1	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	N[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]N[5]CC)(N[5]C[5]Br)(O)	C[5](N[5]C[5]Br)(C[5]N[5]O)(CH3)2	N[5](C[5]C[5]O)(C[5]N[5]O)(Br)	C[5](C[5]N[5]CC)(N[5]C[5]Br)(O){1|Br<1>,1|O<1>}	C[5](N[5]C[5]Br)(C[5]N[5]O)(CH3)2{1|Br<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(Br){1|Br<1>,2|C<4>}	107.4737	0.806	3	107.4737	0.649	3	107.4737	0.649	3	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:S-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(S){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,2|C<3>,2|C<4>}	107.6990	0.000	1	107.6990	0.000	1	107.6990	0.000	1	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:S-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]H)(S)	C[5](C[5]N[5]S)(N[5]C[5]H)(CCHH)2	N[5](C[5]C[5]S)(C[5]N[5]S)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(S){1|H<1>,1|S<1>}	C[5](C[5]N[5]S)(N[5]C[5]H)(CCHH)2{1|H<1>,1|S<1>}	N[5](C[5]C[5]S)(C[5]N[5]S)(H){1|H<1>,2|C<4>}	106.2800	0.000	1	106.2800	0.000	1	106.2800	0.000	1	107.8216	2.400	21	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:N-2:	C[5](C[5]N[5]CC)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	N[5](C[5]C[5]O)(C[5]N[5]O)(NC)	C[5](C[5]N[5]CC)(N[5]C[5]N)(O){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|N<2>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(NC){1|H<1>,2|C<4>}	107.1068	0.411	4	107.1068	0.169	4	107.1068	0.169	4	107.1068	0.169	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.8402	0.389	8	107.8402	0.151	8	108.0168	0.219	16	107.9273	0.262	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.6190	0.074	2	107.6190	0.005	2	108.0168	0.219	16	107.9273	0.262	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO){1|Cl<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	108.2210	0.000	1	108.2210	0.000	1	108.0168	0.219	16	107.9273	0.262	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)2{1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	108.5710	0.095	2	108.5710	0.009	2	108.0168	0.219	16	107.9273	0.262	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	108.5550	0.619	2	108.5550	0.384	2	108.0168	0.219	16	107.9273	0.262	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.8360	0.000	1	107.8360	0.000	1	108.0168	0.219	16	107.9273	0.262	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[5a]O)	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[5a]O){1|H<1>,2|C<4>}	107.2960	0.000	1	107.2960	0.000	1	107.2115	0.014	2	107.9273	0.262	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O)	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O){1|H<1>,2|C<4>}	107.1270	0.000	1	107.1270	0.000	1	107.2115	0.014	2	107.9273	0.262	18	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.5060	0.000	1	108.5060	0.000	1	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.4250	0.000	1	108.4250	0.000	1	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	107.8505	0.286	2	107.8505	0.082	2	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.2750	0.000	1	108.2750	0.000	1	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.7137	0.376	3	108.7137	0.141	3	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.3850	0.008	2	108.3850	0.000	2	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.8240	0.000	1	108.8240	0.000	1	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,2|C<3>,2|C<4>}	108.6020	0.000	1	108.6020	0.000	1	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	107.9420	0.000	2	107.9420	0.000	2	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHO){1|Cl<1>,2|C<3>,2|C<4>}	109.5740	0.000	1	109.5740	0.000	1	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.6317	0.604	3	108.6317	0.365	3	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	108.0620	0.000	1	108.0620	0.000	1	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.5738	0.655	6	108.5738	0.429	6	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.8610	0.000	1	108.8610	0.000	1	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.5730	0.000	1	108.5730	0.000	1	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.7130	0.000	1	108.7130	0.000	1	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.7200	0.000	1	108.7200	0.000	1	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.4240	0.266	2	108.4240	0.071	2	108.5102	0.226	31	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)2	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){2|C<3>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)2{1|C<3>,1|C<4>}	N[5](C[5]C[6a]C[5])(C[5]C[5]O)(CC[6a]HH){2|C<4>,3|C<3>}	107.6900	0.000	1	107.6900	0.000	1	107.6900	0.000	1	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(CH3){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCHH){1|H<1>,2|C<4>}	106.1390	0.000	1	106.1390	0.000	1	107.1972	0.300	6	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2	N[5](C[5]C[5]O)(C[5]N[5]N)(CC[6a]HH)	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|N<2>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]O)(C[5]N[5]N)(CC[6a]HH){1|H<1>,2|C<4>}	107.6060	0.000	1	107.6060	0.000	1	107.1972	0.300	6	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]HH){1|H<1>,2|C<4>}	107.3090	0.195	3	107.3090	0.038	3	107.1972	0.300	6	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH)	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|N<2>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|C<4>,1|N<2>}	N[5](C[5]C[5]O)(C[5]N[5]N)(CCCH){1|H<1>,2|C<4>}	107.5110	0.000	1	107.5110	0.000	1	107.1972	0.300	6	108.2761	0.456	39	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(N[5]C[5]H)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	110.1435	0.002	2	110.1435	0.000	2	109.9302	0.051	5	109.6500	0.512	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(N[5]C[5]H)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(N[5]C[5]H)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,2|C<4>}	109.7880	0.160	3	109.7880	0.026	3	109.9302	0.051	5	109.6500	0.512	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	109.6500	0.512	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:4:	4:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]CC)(N[5]C[5]O)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC)	C[5](C[5]C[5]CC)(N[5]C[5]O)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC){1|O<1>,2|C<4>}	106.9800	0.000	1	106.9800	0.000	1	106.9800	0.000	1	106.9800	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:2:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]S[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	N[5](C[5]C[5]O)(C[5]S[5]O)(H)	C[5](C[5]S[5]CH)(N[5]C[5]H)(O){1|O<1>}	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]O)(H){1|C<4>,1|H<1>}	112.0065	0.357	2	112.0065	0.128	2	112.0065	0.128	2	112.0065	0.128	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:2:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-3:C-4:N[5]-2:H-1:	C[5]-3:C[5]-3:N-2:	C[5](C[5]N[5]CH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H)	N[5](C[5]C[5]O)(C[5]N[5]C)(NC)	C[5](C[5]N[5]CH)(N[5]C[5]N)(O){1|C<4>}	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<4>,1|N<2>}	N[5](C[5]C[5]O)(C[5]N[5]C)(NC){1|C<4>,1|H<1>}	103.8780	0.000	1	103.8780	0.000	1	103.8780	0.000	1	103.8780	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:2:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(CC[5a]HO)(S[5]C[5])(H)	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|O<1>}	C[5](C[5]N[5]O)(CC[5a]HO)(S[5]C[5])(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<4>,1|H<1>}	111.9605	0.127	2	111.9605	0.016	2	112.1904	0.106	5	112.1904	0.106	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:2:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|N<2>}	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<4>,1|N<2>}	N[5](C[5]C[5]O)(C[5]S[5]N)(CCHH){1|C<4>,1|H<1>}	112.6140	0.000	1	112.6140	0.000	1	112.1904	0.106	5	112.1904	0.106	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:2:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|O<1>}	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|H<1>}	111.9630	0.000	1	111.9630	0.000	1	112.1904	0.106	5	112.1904	0.106	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:2:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(CC[6a]HO)(S[5]C[5])(H)	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|O<1>}	C[5](C[5]N[5]O)(CC[6a]HO)(S[5]C[5])(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<4>,1|H<1>}	112.4540	0.000	1	112.4540	0.000	1	112.1904	0.106	5	112.1904	0.106	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:2:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C-4:O[5]-2:N-3:	C[5]-4:C[5]-3:S-4:	C[5](C[5]O[5]CN)(N[5]C[5]S)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]O[5]CN)(N[5]C[5]S)(O){1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH){1|C<3>,1|H<1>,1|S<4>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>}	106.6980	0.000	1	106.6980	0.000	1	106.6980	0.000	1	106.6980	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O){1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	108.4360	0.000	1	108.4360	0.000	1	108.2127	0.037	3	107.8665	0.303	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|O<2>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	108.1010	0.010	2	108.1010	0.000	2	108.2127	0.037	3	107.8665	0.303	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]H)(O){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5]N[5]O)(H){1|C<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	107.6615	0.666	4	107.6615	0.443	4	107.6615	0.443	4	107.8665	0.303	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5]O)2(H){1|C<3>,3|H<1>}	107.8228	0.589	5	107.8228	0.347	5	107.8228	0.347	5	107.8665	0.303	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,2|C<3>,2|H<1>}	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.0722	0.222	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O){1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	107.5710	0.000	1	107.5710	0.000	1	107.5710	0.000	1	108.0722	0.222	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	107.6160	0.000	1	107.6160	0.000	1	107.6160	0.000	1	108.0722	0.222	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(O){1|O<1>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	107.8230	0.000	1	108.2635	0.388	2	108.2607	0.194	3	108.0722	0.222	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(O){1|O<1>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	108.7040	0.000	1	108.2635	0.388	2	108.2607	0.194	3	108.0722	0.222	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]O)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(O){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]O)2{1|C<4>,3|C<3>,3|H<1>}	108.2550	0.000	1	108.2550	0.000	1	108.2607	0.194	3	108.0722	0.222	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H){2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	108.0487	0.278	3	108.0487	0.078	3	108.0487	0.078	3	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]2H)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]2H)(C[5]N[5]O)(H){1|C<2>,1|H<1>,1|O<2>,3|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	108.0750	0.000	1	108.0750	0.000	1	108.0750	0.000	1	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(F){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	107.8360	0.000	1	107.8360	0.000	1	107.9745	0.038	2	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2N)(C[5]N[5]O)(F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(O){1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2N)(C[5]N[5]O)(F){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	108.1130	0.000	1	108.1130	0.000	1	107.9745	0.038	2	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	108.1250	0.000	1	108.1250	0.000	1	107.9676	0.229	8	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.4130	0.000	2	108.0987	0.296	3	107.9676	0.229	8	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	107.4700	0.000	1	108.0987	0.296	3	107.9676	0.229	8	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	108.5160	0.000	1	108.5160	0.000	1	107.9676	0.229	8	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	107.2640	0.000	1	107.2640	0.000	1	107.9676	0.229	8	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	107.5920	0.000	1	107.5920	0.000	1	107.9676	0.229	8	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(H){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	107.9480	0.000	1	107.9480	0.000	1	107.9676	0.229	8	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6]F)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6]F)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(F){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	107.1270	0.000	1	107.1270	0.000	1	107.1270	0.000	1	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	108.1080	0.000	1	108.1080	0.000	1	108.1080	0.000	1	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5a]C[5]H)(N[5]C[5]C)(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5a]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5]O)2(CH3){2|C<3>,2|H<1>}	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O)	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5]O)2(CCHH){1|C<3>,3|H<1>}	107.0110	0.000	1	107.0110	0.000	1	108.4838	0.535	6	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	108.7430	0.164	2	108.7430	0.027	2	108.4838	0.535	6	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5]O)2(CH3){1|C<3>,3|H<1>}	108.7605	0.169	2	108.8020	0.019	3	108.4838	0.535	6	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,2|C<3>,3|C<4>}	N[5](C[5]C[5]O)2(CH3){1|C<3>,3|H<1>}	108.8850	0.000	1	108.8020	0.019	3	108.4838	0.535	6	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:S-1:	C[5,6a]-3:C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]S)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(S){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]S)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3){1|C<4>,2|C<3>,2|H<1>}	107.6560	0.095	2	107.6560	0.009	2	107.6560	0.009	2	108.0542	0.285	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:4:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(H){3|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	4:3:3:	C[5]-4:N[5]-3:S-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C[6])(S)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]S)(H)	N[5](C[6]C[6]2H)(C[5]C[5]N)(C[5]C[5]S)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C[6])(S){1|C<2>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]S)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]N)(C[5]C[5]S){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	108.9280	0.000	1	108.9280	0.000	1	108.9280	0.000	1	108.9280	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5a]C[5]H)(N[5]C[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5a]C[5]H)(N[5]C[5]C)(O){3|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|H<1>}	109.5300	0.000	2	109.5300	0.000	2	109.5300	0.000	2	109.5300	0.000	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]C)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]C)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.3020	0.000	1	108.3020	0.000	1	108.1029	0.112	7	108.3172	0.203	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.1960	0.000	1	108.1960	0.000	1	108.1029	0.112	7	108.3172	0.203	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OC){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.6150	0.000	1	107.6150	0.000	1	108.1029	0.112	7	108.3172	0.203	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.0950	0.000	1	108.0950	0.000	1	108.1029	0.112	7	108.3172	0.203	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|C<4>,1|F<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.7870	0.000	1	108.2120	0.361	2	108.1029	0.112	7	108.3172	0.203	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|F<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH){1|O<2>,4|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.6370	0.000	1	108.2120	0.361	2	108.1029	0.112	7	108.3172	0.203	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.0880	0.000	1	108.0880	0.000	1	108.1029	0.112	7	108.3172	0.203	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.9345	0.049	2	108.9345	0.002	2	108.8173	0.042	3	108.3172	0.203	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|I<1>,1|O<2>,2|C<3>}	108.5830	0.000	1	108.5830	0.000	1	108.8173	0.042	3	108.3172	0.203	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|Cl<1>,1|O<2>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.9660	0.000	1	108.7660	0.080	2	108.7660	0.080	2	108.5538	0.098	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.5660	0.000	1	108.7660	0.080	2	108.7660	0.080	2	108.5538	0.098	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C[6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	108.2120	0.000	1	108.2120	0.000	1	108.2120	0.000	1	108.5538	0.098	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	108.5538	0.098	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|F<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.8730	0.000	1	107.8730	0.000	1	108.3607	0.186	11	108.3670	0.159	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.9450	0.003	3	108.9450	0.000	3	108.3607	0.186	11	108.3670	0.159	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.3815	0.332	2	108.3815	0.110	2	108.3607	0.186	11	108.3670	0.159	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(OC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(OC){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.9610	0.000	1	107.9610	0.000	1	108.3607	0.186	11	108.3670	0.159	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<2>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.2480	0.000	1	108.2480	0.000	1	108.3607	0.186	11	108.3670	0.159	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(OH){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.3450	0.000	1	108.3450	0.000	1	108.3607	0.186	11	108.3670	0.159	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O){1|H<1>,1|S<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	107.9715	0.094	2	107.9715	0.009	2	108.3607	0.186	11	108.3670	0.159	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.4015	0.224	2	108.4015	0.050	2	108.4015	0.050	2	108.3670	0.159	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	3:4:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]O)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]O)(N[5]C[6a]C[5])(O){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH){3|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,3|H<1>,4|C<3>}	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:2:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]O)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]C)(O){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(OC){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|H<1>,3|C<3>}	107.4240	0.000	1	107.4240	0.000	1	107.4240	0.000	1	107.4240	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O){2|H<1>,2|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	107.4810	0.000	1	107.4810	0.000	1	107.4810	0.000	1	107.4810	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(CCC){1|S<2>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	107.3040	0.000	1	107.3040	0.000	1	107.3040	0.000	1	107.5200	0.093	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5]C)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(CCO)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]C)(N[5]C[6a]C[5])(O){1|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(CCO){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){3|H<1>,5|C<3>}	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	107.5200	0.093	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.7400	0.000	1	107.7400	0.000	1	108.0326	0.150	5	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(CCC){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.9580	0.000	1	107.9580	0.000	1	108.0326	0.150	5	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,1|N<2>,1|S<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	107.9500	0.000	1	107.9500	0.000	1	108.0326	0.150	5	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.7060	0.000	1	108.2575	0.402	2	108.0326	0.150	5	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,1|N<2>,1|S<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	107.8090	0.000	1	108.2575	0.402	2	108.0326	0.150	5	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0830	0.000	1	108.0830	0.000	1	107.9966	0.388	14	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.6450	0.618	2	108.6450	0.382	2	107.9966	0.388	14	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.8340	0.369	2	107.8340	0.136	2	107.9966	0.388	14	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.5750	0.000	1	107.5750	0.000	1	107.9966	0.388	14	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|F<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.4550	0.000	1	107.4550	0.000	1	107.9966	0.388	14	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.4220	0.000	1	108.4220	0.000	1	107.9966	0.388	14	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.6590	0.000	1	107.9570	1.099	3	107.9966	0.388	14	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.6060	1.208	2	107.9570	1.099	3	107.9966	0.388	14	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(NHS){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.3650	0.000	1	108.3650	0.000	1	107.9966	0.388	14	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.1980	0.000	1	107.1980	0.000	1	107.9966	0.388	14	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0250	0.000	1	108.0250	0.000	1	107.9966	0.388	14	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O){1|N<3>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:N[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]N[5a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]N[5a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]C[5a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.3315	0.062	2	107.3315	0.004	2	107.3315	0.004	2	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2N)(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6]N)(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2N)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	107.9522	0.305	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CC[5]O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CC[5]O){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	107.8115	0.084	2	107.8115	0.007	2	107.9502	0.048	4	107.9502	0.048	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CC[5]O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CC[5]O){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<3>,2|H<1>}	107.9150	0.000	1	107.9150	0.000	1	107.9502	0.048	4	107.9502	0.048	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(COO)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(COO){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<3>,2|H<1>}	108.2630	0.000	1	108.2630	0.000	1	107.9502	0.048	4	107.9502	0.048	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.5860	0.000	1	108.5860	0.000	1	108.5860	0.000	1	108.3441	0.053	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5]N[5]O)(CC[5a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]H)(O){1|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5]N[5]O)(CC[5a]HH){1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	108.3441	0.053	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:4:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5]O)2(H){1|C<3>,1|C<4>,2|H<1>}	108.3915	0.062	6	108.3915	0.004	6	108.3915	0.004	6	108.3441	0.053	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:4:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-2:	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]O)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(CC[5]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC){1|H<1>,2|C<3>,2|C<4>}	106.8140	0.034	2	106.8140	0.001	2	106.8140	0.001	2	107.0643	0.189	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:4:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]O)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]O)2(OC)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]O)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)2(OC){1|C<3>,1|C<4>,2|H<1>}	107.5650	0.000	1	107.5650	0.000	1	107.5650	0.000	1	107.0643	0.189	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	108.0618	0.216	4	108.0618	0.047	4	108.0470	0.036	5	107.9150	0.133	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.9880	0.000	1	107.9880	0.000	1	108.0470	0.036	5	107.9150	0.133	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]2H)(C[5]N[5]O)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]2H)(C[5]N[5]O)(CCHH){1|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	107.2550	0.000	1	107.2550	0.000	1	107.2550	0.000	1	107.9150	0.133	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.9885	0.217	2	107.9885	0.047	2	108.2122	0.184	5	108.3023	0.196	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.6810	0.000	1	108.6810	0.000	1	108.2122	0.184	5	108.3023	0.196	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	107.7720	0.000	1	107.7720	0.000	1	108.2122	0.184	5	108.3023	0.196	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(C[5]N[5]O)(CC[6a]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.6310	0.000	1	108.6310	0.000	1	108.2122	0.184	5	108.3023	0.196	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.3023	0.196	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5])	N[5](C[5]C[5]O)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|N<3>}	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>}	N[5](C[5]C[5]O)(C[5]N[5]N)(CH3){2|C<4>}	106.9390	0.000	1	106.9390	0.000	1	106.9390	0.000	1	106.9390	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:4:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]S[6]H)(C[5]C[5]2H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(O){1|S<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]S[6]H)(C[5]C[5]2H)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	N[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]H)(C[5]C[5]O)(H){4|H<1>}	108.1510	0.000	1	108.1510	0.000	1	108.1510	0.000	1	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(N[5]N[5,5]H)(O)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]O)(H)2	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(N[5]N[5,5]H)(O){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	107.9470	0.187	2	107.9470	0.035	2	107.7938	0.057	4	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(N[5]N[5,5]H)(O)	C[5](C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)2	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(N[5]N[5,5]H)(O){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	107.6405	0.207	2	107.6405	0.043	2	107.7938	0.057	4	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:Br-1:	C[5](C[5]C[5]HH)(N[5]C[5]Br)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(Br)	C[5](C[5]C[5]HH)(N[5]C[5]Br)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|Br<1>,1|O<1>}	N[5](C[5]C[5]O)2(Br){4|H<1>}	107.5233	0.614	14	107.5233	0.377	14	107.5233	0.377	14	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){4|H<1>}	108.4706	0.396	5	108.4706	0.157	5	108.3570	0.201	74	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{2|H<1>}	N[5](C[5]C[5]H)(C[5]C[5]O)(H){4|H<1>}	108.2610	0.000	1	108.2610	0.000	1	108.3570	0.201	74	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]O)2(H){4|H<1>}	108.3756	0.487	55	108.3756	0.238	55	108.3570	0.201	74	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5a]C[6a]C[5])(C[5]N[5]O)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){3|C<3>}	C[5](C[5]C[5a]C[6a]C[5])(C[5]N[5]O)(H)2{1|H<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<3>,2|H<1>}	108.5950	0.000	1	108.5950	0.000	1	108.3570	0.201	74	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)2(H){1|C<3>,1|C<4>,2|H<1>}	108.3278	0.162	6	108.3278	0.026	6	108.3570	0.201	74	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,3|H<1>}	108.0270	0.000	1	108.0270	0.000	1	108.3570	0.201	74	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)2(H){1|C<3>,3|H<1>}	108.1118	0.360	5	108.1118	0.129	5	108.3570	0.201	74	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:I-1:	C[5](C[5]C[5]HH)(N[5]C[5]I)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(I)	C[5](C[5]C[5]HH)(N[5]C[5]I)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|I<1>,1|O<1>}	N[5](C[5]C[5]O)2(I){4|H<1>}	108.2236	0.706	30	108.2236	0.498	30	108.2236	0.498	30	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]O)(O)	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(O)	C[5](C[5]C[5]HH)(N[5]C[5]O)(O){1|H<1>,1|O<1>,1|P<4>}	C[5](C[5]C[5]HP)(C[5]N[5]O)(H)2{2|O<1>}	N[5](C[5]C[5]O)2(O){1|P<4>,3|H<1>}	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5]O)(N[5]C[5]C)(H){1|C<3>,3|H<1>}	107.5160	0.000	1	107.5160	0.000	1	107.6362	0.359	14	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|H<1>,2|C<3>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(H){1|C<3>,3|H<1>}	107.5650	0.000	1	107.5417	0.001	3	107.6362	0.359	14	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|H<1>,2|C<4>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(H){1|C<4>,3|H<1>}	107.5300	0.034	2	107.5417	0.001	3	107.6362	0.359	14	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]2)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]O)(N[5]C[5]2)(H){1|C<4>,2|C<3>,4|H<1>}	108.0780	0.000	1	108.0780	0.000	1	107.6362	0.359	14	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(H){4|H<1>}	108.7430	0.000	1	107.6320	0.553	9	107.6362	0.359	14	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(H){4|H<1>}	107.4931	0.659	8	107.6320	0.553	9	107.6362	0.359	14	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){3|C<3>,3|H<1>}	107.5842	0.922	6	107.5842	0.849	6	107.5121	0.699	8	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){3|C<4>}	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>}	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.8070	0.000	1	107.8070	0.000	1	107.5121	0.699	8	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|H<1>,2|C<3>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){1|N<2>,2|C<3>,3|H<1>}	106.7850	0.000	1	106.7850	0.000	1	107.5121	0.699	8	108.1167	0.413	146	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5,5]HH)(N[5]C[5]O)(O)	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(OC)	C[5](C[5]C[5,5]HH)(N[5]C[5]O)(O){1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(OC){2|C<4>,2|H<1>}	105.9860	0.000	1	105.9860	0.000	1	105.9860	0.000	1	106.2014	2.482	63	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:I-2:	C[5](C[5]C[5]HH)(N[5]C[5]I)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(IN[5])	C[5](C[5]C[5]HH)(N[5]C[5]I)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|I<2>,1|O<1>}	N[5](C[5]C[5]O)2(IN[5]){4|H<1>}	110.0090	0.299	4	110.0090	0.089	4	109.7510	0.127	8	106.2014	2.482	63	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:I-2:	C[5](C[5]C[5]HH)(N[5]C[5]I)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(IO)	C[5](C[5]C[5]HH)(N[5]C[5]I)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|I<2>,1|O<1>}	N[5](C[5]C[5]O)2(IO){4|H<1>}	109.4930	0.175	4	109.4930	0.031	4	109.7510	0.127	8	106.2014	2.482	63	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(N[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(OC)	C[5](C[5]C[5]HH)(N[5]C[5]O)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	N[5](C[5]C[5]O)2(OC){4|H<1>}	105.4425	0.560	36	105.4425	0.314	36	105.5436	0.502	50	106.2014	2.482	63	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(N[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(OC[6])	C[5](C[5]C[5]HH)(N[5]C[5]O)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	N[5](C[5]C[5]O)2(OC[6]){4|H<1>}	104.0765	0.643	2	104.0765	0.413	2	105.5436	0.502	50	106.2014	2.482	63	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(N[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(OH)	C[5](C[5]C[5]HH)(N[5]C[5]O)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	N[5](C[5]C[5]O)2(OH){4|H<1>}	106.1862	0.794	6	106.1862	0.630	6	105.5436	0.502	50	106.2014	2.482	63	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(N[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(OS)	C[5](C[5]C[5]HH)(N[5]C[5]O)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	N[5](C[5]C[5]O)2(OS){4|H<1>}	105.5750	0.349	2	105.5750	0.122	2	105.5436	0.502	50	106.2014	2.482	63	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(N[5]C[5]O)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(OH)	C[5](C[5]C[5]HH)(N[5]C[5]O)(O){1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	N[5](C[5]C[5]O)2(OH){1|N<3>,3|H<1>}	106.5795	0.117	2	106.5795	0.014	2	105.5436	0.502	50	106.2014	2.482	63	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(N[5]C[5]O)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(OS)	C[5](C[5]C[5]HH)(N[5]C[5]O)(O){1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	N[5](C[5]C[5]O)2(OS){1|N<3>,3|H<1>}	105.3650	0.000	1	105.3650	0.000	1	105.5436	0.502	50	106.2014	2.482	63	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(N[5]C[5]O)(O)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(OC)	C[5](C[5]C[5]HH)(N[5]C[5]O)(O){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5]O)2(OC){1|C<3>,1|C<4>,2|H<1>}	106.3060	0.000	1	106.3060	0.000	1	105.5436	0.502	50	106.2014	2.482	63	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5]HH)(N[5]C[5]S)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(SC)	C[5](C[5]C[5]HH)(N[5]C[5]S)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<1>,1|S<2>}	N[5](C[5]C[5]O)2(SC){4|H<1>}	107.2090	0.305	2	107.2090	0.093	2	107.3785	0.118	4	106.2014	2.482	63	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:S-2:	C[5](C[5]C[5]HH)(N[5]C[5]S)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(SC[6a])	C[5](C[5]C[5]HH)(N[5]C[5]S)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<1>,1|S<2>}	N[5](C[5]C[5]O)2(SC[6a]){4|H<1>}	107.5480	0.380	2	107.5480	0.145	2	107.3785	0.118	4	106.2014	2.482	63	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO){3|C<4>,3|H<1>}	106.6880	0.000	1	106.6880	0.000	1	106.8360	0.044	2	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO){2|C<4>,4|H<1>}	106.9840	0.000	1	106.9840	0.000	1	106.8360	0.044	2	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5,6]HH)(N[5]C[5]N)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]O)(NC[6a]H)	C[5](C[5]C[5,6]HH)(N[5]C[5]N)(O){1|O<1>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]O)(C[5]C[5]O)(NC[6a]H){2|C<4>,2|H<1>}	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CCC)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(CCC){4|H<1>}	108.5335	0.286	4	108.5335	0.082	4	107.9263	0.287	16	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(CCH){4|H<1>}	108.3950	0.783	2	108.3950	0.614	2	107.9263	0.287	16	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CCN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(CCN){4|H<1>}	107.4105	0.419	2	107.4105	0.176	2	107.9263	0.287	16	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CN[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(CN[5]N){4|H<1>}	107.5765	0.081	4	107.5765	0.007	4	107.9263	0.287	16	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CN[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]O)2(CN[5]O){4|H<1>}	107.6925	0.183	4	107.6925	0.034	4	107.9263	0.287	16	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]HH)(N[5]C[5]N)(O)	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(NC[6a]C)	C[5](C[5]C[5]HH)(N[5]C[5]N)(O){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>}	N[5](C[5]C[5]O)2(NC[6a]C){2|C<4>,2|H<1>}	106.3320	0.000	1	106.3320	0.000	1	106.5858	0.036	4	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]HH)(N[5]C[5]N)(O)	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(NC[6a]H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(O){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>}	N[5](C[5]C[5]O)2(NC[6a]H){2|C<4>,2|H<1>}	106.6830	0.000	1	106.6830	0.000	1	106.5858	0.036	4	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]HH)(N[5]C[5]N)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(NCH)	C[5](C[5]C[5]HH)(N[5]C[5]N)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,1|O<1>}	N[5](C[5]C[5]O)2(NCH){4|H<1>}	106.6640	0.148	2	106.6640	0.022	2	106.5858	0.036	4	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){1|C<3>,3|H<1>}	106.8460	0.000	1	106.8460	0.000	1	106.8179	0.871	10	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[5]O)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){3|C<4>}	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[5]O){2|C<4>,2|H<1>}	105.5080	0.303	2	105.5080	0.092	2	106.8179	0.871	10	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|H<1>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){2|C<4>,2|H<1>}	106.4530	0.000	1	106.4530	0.000	1	106.8179	0.871	10	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]H)(CC[5]O)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|H<1>,2|C<4>}	C[5](C[5]N[5]CC)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]O)(N[5]C[5]H)(CC[5]O){2|C<4>,2|H<1>}	106.3000	0.000	1	106.3000	0.000	1	106.8179	0.871	10	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){1|C<4>,3|H<1>}	107.3870	0.788	3	107.3870	0.620	3	106.8179	0.871	10	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CCH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[5]O)(N[5]C[5]C)(CCH){4|H<1>}	107.7015	0.368	2	107.7015	0.136	2	106.8179	0.871	10	107.3381	0.730	33	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,5]2C[5])(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]2C[5])(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	107.7090	0.000	1	107.7090	0.000	1	108.3374	0.240	12	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]2)(C[5]N[5]O)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	107.5050	0.000	1	107.5050	0.000	1	108.3374	0.240	12	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5,5]N[5,5]C[5])(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	108.5310	0.000	1	108.5310	0.000	1	108.3374	0.240	12	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|O<1>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	108.6175	0.749	2	108.6175	0.561	2	108.3374	0.240	12	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	108.4300	0.000	1	108.4140	0.001	2	108.3374	0.240	12	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	108.3980	0.000	1	108.4140	0.001	2	108.3374	0.240	12	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<2>,2|H<1>}	108.6120	0.000	1	108.7177	0.085	3	108.3374	0.240	12	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,2|H<1>}	108.4930	0.000	1	108.7177	0.085	3	108.3374	0.240	12	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,2|H<1>}	109.0480	0.000	1	108.7177	0.085	3	108.3374	0.240	12	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(C[5]N[5]O)(H)2{1|O<1>,2|H<1>,5|C<4>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	108.1090	0.000	1	108.1090	0.000	1	108.3374	0.240	12	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]N[5,5]C[5]2)(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>}	C[5](C[5,5]N[5,5]C[5]2)(C[5]N[5]O)(H)2{1|C<2>,1|H<1>,1|O<1>,4|C<4>}	N[5](C[5]C[5,5]O)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	107.9790	0.000	1	107.9790	0.000	1	108.3374	0.240	12	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:Cl-1:Cl-1:	C[5,6]-3:C[5]-3:S-4:	C[5](C[5]C[5,6]Cl2)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(Cl)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6]Cl2)(N[5]C[5,6]S)(O){1|H<1>,2|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(Cl)2{1|S<4>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(SC[6a]OO){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	105.8860	0.000	1	105.8860	0.000	1	105.8860	0.000	1	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){1|C<4>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,3|C<3>}	107.8905	0.401	2	107.8905	0.161	2	107.8905	0.161	2	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(N[5]N[5,6]C)(O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6]HH)(N[5]N[5,6]C)(O){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2{2|H<1>,3|C<4>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	107.2610	0.000	1	107.2610	0.000	1	107.2610	0.000	1	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<4>,3|H<1>}	107.4660	0.000	1	107.4660	0.000	1	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<4>,3|H<1>}	109.1030	0.000	1	109.1030	0.000	1	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CH3){1|C<3>,3|H<1>}	109.3150	0.000	1	109.3150	0.000	1	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CCHH){1|C<4>,1|O<2>,2|H<1>}	107.9485	0.240	2	107.9485	0.057	2	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,1|O<2>,2|H<1>}	108.4960	0.000	1	108.4960	0.000	1	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){4|H<1>}	108.0420	0.000	1	108.0420	0.000	1	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	107.5760	0.000	1	107.5760	0.000	1	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CCCH){4|H<1>}	109.0600	0.631	4	109.0600	0.398	4	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CCHH){4|H<1>}	108.1704	0.572	24	108.1704	0.327	24	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CCHN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CCHN){4|H<1>}	107.6675	0.060	2	107.6675	0.004	2	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CC[5a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CC[5a]HH){4|H<1>}	107.9700	0.008	2	107.9700	0.000	2	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CC[6a]CH){4|H<1>}	108.1625	0.325	6	108.1625	0.106	6	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CC[6a]HH){4|H<1>}	107.7395	0.169	4	107.7395	0.028	4	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CC[6a]HN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CC[6a]HN){4|H<1>}	107.9785	0.385	2	107.9785	0.149	2	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CH3){4|H<1>}	108.1730	0.033	2	108.1730	0.001	2	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CN[6]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CN[6]HH){4|H<1>}	108.6880	0.378	2	108.6880	0.143	2	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CC[6a]HH){1|N<2>,3|H<1>}	108.6310	0.000	1	108.6310	0.000	1	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	108.0760	0.000	1	108.0760	0.000	1	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)2(CCHH){1|C<3>,3|H<1>}	108.4030	0.000	1	108.4030	0.000	1	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)2(CH3){1|C<3>,3|H<1>}	108.2243	0.397	3	108.2243	0.158	3	108.2080	0.304	62	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:S-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(O){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|S<4>}	N[5](C[5]C[5]C)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	107.3540	0.303	2	107.3540	0.092	2	107.3540	0.092	2	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]2)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{2|C<4>}	N[5](C[5]C[5]O)(N[5]C[5]2)(CC[6a]HH){1|N<3>,2|C<3>,4|H<1>}	107.9150	0.000	1	107.9150	0.000	1	107.2362	0.295	5	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{2|C<4>}	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH){4|H<1>}	107.1680	0.490	3	107.1680	0.240	3	107.2362	0.295	5	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{2|C<4>}	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H){4|H<1>}	106.7620	0.000	1	106.7620	0.000	1	107.2362	0.295	5	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CN[5a]HH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CN[5a]HH){2|C<3>,4|H<1>}	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1	108.0851	0.434	86	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]HH)(N[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]CC)(C[5]C[5]H)(O){4|H<1>}	112.7060	0.000	1	112.7060	0.000	1	112.6543	0.012	3	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	N[5](C[5]C[5]CP)(C[5]C[5]H)(O)	C[5](C[5]C[5]HH)(N[5]C[5]O)(H){1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|C<4>,1|O<1>,1|P<4>}	N[5](C[5]C[5]CP)(C[5]C[5]H)(O){4|H<1>}	112.7300	0.000	1	112.7300	0.000	1	112.6543	0.012	3	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[5]HH)(N[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|C<3>,3|H<1>}	112.5270	0.000	1	112.5270	0.000	1	112.6543	0.012	3	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[3x5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-3:H-1:	C[5](C[5]C[3x5]HH)(N[5]C[3x5]H)(O)	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]O)(H)2	N[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]O)(H)	C[5](C[5]C[3x5]HH)(N[5]C[3x5]H)(O){2|C<3>,2|O<2>}	C[5](C[3x5]C[5,6a]C[3x5]C[5])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	N[5](C[3x5]C[3x5]O[5]2)(C[5]C[5]O)(H){1|N<2>,2|H<1>,3|C<3>}	109.8330	0.000	2	109.8330	0.000	2	109.8330	0.000	2	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]H)(O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	N[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)(H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]H)(O){1|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)(H){2|C<3>,3|C<4>,5|H<1>}	108.6545	0.473	2	108.6545	0.224	2	108.6545	0.224	2	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(O){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	108.4390	0.000	1	108.4390	0.000	1	108.8692	0.093	4	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2{1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	109.1210	0.000	1	109.1210	0.000	1	108.8692	0.093	4	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)2{2|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	108.8740	0.000	1	108.8740	0.000	1	108.8692	0.093	4	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(O)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(O){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	109.0430	0.000	1	109.0430	0.000	1	108.8692	0.093	4	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]O)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,3|H<1>}	109.3625	1.644	2	109.3625	2.703	2	108.5950	1.275	5	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(O){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	107.8250	0.000	1	108.2225	0.316	2	108.5950	1.275	5	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(O){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|O<2>,2|C<4>,4|H<1>}	108.6200	0.000	1	108.2225	0.316	2	108.5950	1.275	5	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){1|C<4>,2|O<2>,4|H<1>}	107.8050	0.000	1	107.8050	0.000	1	108.5950	1.275	5	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5]H)(O){2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(H)2{2|C<4>,7|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(H){2|C<4>,2|H<1>}	109.3203	0.660	4	109.3203	0.435	4	109.3203	0.435	4	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<4>,3|H<1>}	108.6950	0.000	1	108.6950	0.000	1	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	107.9740	0.000	1	107.9740	0.000	1	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]2C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]2C)(C[5]C[5]O)(H){1|C<4>,1|O<2>,5|H<1>}	108.3380	0.000	1	108.3380	0.000	1	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(H){4|H<1>}	109.0190	0.490	3	108.9570	0.147	5	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(H){4|H<1>}	108.8640	0.281	2	108.9570	0.147	5	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){4|H<1>}	108.7460	0.378	52	108.6932	0.181	60	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){4|H<1>}	108.3496	0.571	8	108.6932	0.181	60	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){4|H<1>}	109.3075	0.844	14	109.3075	0.712	14	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(H){1|N<2>,1|N<3>,4|H<1>}	108.5635	0.132	2	108.5635	0.017	2	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H){2|C<3>,4|H<1>}	108.7840	0.489	2	108.7840	0.239	2	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]N[5a]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,2|H<1>}	N[5](C[5]N[5a]C[5]H)(C[5]C[5]O)(H){2|N<2>,4|H<1>}	108.3620	0.000	1	108.3620	0.000	1	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|N<3>,3|H<1>}	109.2280	0.000	1	109.2280	0.000	1	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|O<2>,3|H<1>}	108.4695	0.180	2	108.4695	0.033	2	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H){1|O<2>,2|C<3>,3|H<1>}	108.3872	0.446	5	108.3872	0.199	5	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|Si<4>,1|C<2>,2|H<1>}	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2{1|C<2>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|Si<4>,3|H<1>}	108.1850	0.000	1	108.6340	0.403	2	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|Si<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|Si<4>,3|H<1>}	109.0830	0.000	1	108.6340	0.403	2	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,3|H<1>}	108.7805	0.641	2	108.7417	0.148	4	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{2|H<1>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,3|H<1>}	108.7030	0.160	2	108.7417	0.148	4	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,3|H<1>}	108.9930	0.000	1	108.9930	0.000	1	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H){3|C<3>,3|H<1>}	108.3820	0.000	1	108.3820	0.000	1	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2{2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H){1|O<2>,2|H<1>,3|C<3>}	107.8440	0.000	1	107.8440	0.000	1	108.7529	0.294	104	108.8788	0.689	124	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5](C[5]C[5]HH)(N[5]C[5]N)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(NC)	C[5](C[5]C[5]HH)(N[5]C[5]N)(O){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(NC){1|S<2>,2|C<3>,3|H<1>}	107.7510	0.000	1	107.7510	0.000	1	108.0630	0.195	2	108.3020	0.141	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5](C[5]C[5]HH)(N[5]C[5]N)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(NC)	C[5](C[5]C[5]HH)(N[5]C[5]N)(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|H<1>,1|N<2>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(NC){1|C<3>,3|H<1>}	108.3750	0.000	1	108.3750	0.000	1	108.0630	0.195	2	108.3020	0.141	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]HH)(N[5]C[5]O)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(OH)	C[5](C[5]C[5]HH)(N[5]C[5]O)(O){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(OH){1|C<4>,3|H<1>}	108.5410	0.034	2	108.5410	0.001	2	108.5410	0.001	2	108.3020	0.141	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]H)(CNS)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]H)(CNS){4|H<1>}	103.8400	0.000	1	103.8400	0.000	1	103.8400	0.000	1	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO){1|C<4>,2|O<2>,4|H<1>}	107.7780	0.000	1	107.7780	0.000	1	107.9705	0.074	2	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]O)(COO)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O){4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]O)(H)2{1|N<3>,1|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]O)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	108.1630	0.000	1	108.1630	0.000	1	107.9705	0.074	2	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(COO)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(COO){2|H<1>,4|C<3>}	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](CC[6a]N[6]H)(C[5]C[5]O)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](CC[6a]N[6]H)(C[5]C[5]O)2{4|H<1>}	107.9485	0.121	2	107.9485	0.015	2	107.9485	0.015	2	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(H)2{1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|C<4>,3|H<1>}	106.8570	0.000	1	106.8570	0.000	1	107.3186	0.190	11	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO){4|H<1>}	107.4845	0.388	2	107.4845	0.151	2	107.3186	0.190	11	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){4|H<1>}	107.7970	0.000	1	107.7970	0.000	1	107.3186	0.190	11	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCO){4|H<1>}	107.4080	0.560	2	107.4080	0.314	2	107.3186	0.190	11	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C){4|H<1>}	107.6545	0.015	2	107.6545	0.000	2	107.3186	0.190	11	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O){4|H<1>}	106.6630	0.000	1	106.6630	0.000	1	107.3186	0.190	11	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){1|O<2>,3|H<1>}	106.7990	0.000	1	106.7990	0.000	1	107.3186	0.190	11	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO){1|O<2>,2|C<3>,3|H<1>}	107.2950	0.000	1	107.2950	0.000	1	107.3186	0.190	11	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5]2)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]N[5]O[5])(C[5]C[5]O)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[6a]N[5]O[5])(C[5]C[5]O)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	108.3400	0.337	2	108.3400	0.113	2	107.8913	0.246	6	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5]2)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]N[5,5]C[5]H)(C[5]C[5]O)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|O<1>}	N[5](C[5]N[5,5]C[5]H)(C[5]C[5]O)2{1|C<3>,2|C<4>,6|H<1>}	107.6670	0.414	4	107.6670	0.171	4	107.8913	0.246	6	107.4677	0.875	23	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	N[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(O){2|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	N[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	109.8940	0.000	1	109.8940	0.000	1	109.3425	0.608	2	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(O)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2	N[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(O){1|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)(CH3){2|C<3>,3|C<4>,5|H<1>}	108.7910	0.000	1	108.7910	0.000	1	109.3425	0.608	2	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(O)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]N[5]O)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	107.3970	0.000	1	107.3970	0.000	1	107.9090	0.524	2	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(O)	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]N[5]O)(H)2	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(O){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5,6]C[5,6a]C[5,6]N[5,6])(C[5]N[5]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	108.4210	0.000	1	108.4210	0.000	1	107.9090	0.524	2	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(CCCH){2|C<3>,3|H<1>}	108.1020	0.000	1	108.1020	0.000	1	109.3268	1.703	4	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O){1|C<3>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.1550	0.000	1	111.1550	0.000	1	109.3268	1.703	4	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	108.8190	0.000	1	108.8190	0.000	1	109.3268	1.703	4	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]O)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.2310	0.000	1	109.2310	0.000	1	109.3268	1.703	4	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	108.6290	0.000	1	108.2650	0.265	2	108.2343	0.135	3	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	107.9010	0.000	1	108.2650	0.265	2	108.2343	0.135	3	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]N[5]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	108.1730	0.000	1	108.1730	0.000	1	108.2343	0.135	3	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:Cl-1:Cl-1:	C[5,6]-4:C[5]-3:S-4:	C[5](C[5]C[5,6]Cl2)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(Cl)2	N[5](C[5,6]C[6,6a]C[5,6]S)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6]Cl2)(N[5]C[5,6]S)(O){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(Cl)2{1|H<1>,1|S<2>,1|S<4>,2|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]S)(C[5]C[5]O)(SC[6a]OO){2|Cl<1>,1|H<1>,3|C<3>}	106.1530	0.000	1	106.1530	0.000	1	106.1530	0.000	1	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]2)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){4|C<3>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]O)(CH3){1|O<2>,3|H<1>,4|C<3>}	109.2140	0.414	2	109.2140	0.172	2	108.5863	0.224	7	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]HH){2|H<1>,4|C<3>}	108.2270	0.000	1	108.2270	0.000	1	108.5863	0.224	7	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH){2|C<3>,5|H<1>}	108.5490	0.000	1	108.5490	0.000	1	108.5863	0.224	7	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH){1|C<4>,2|C<3>,3|H<1>}	108.3600	0.000	1	108.3345	0.001	2	108.5863	0.224	7	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH){3|C<3>,3|H<1>}	108.3090	0.000	1	108.3345	0.001	2	108.5863	0.224	7	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]3)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]3){1|C<4>,1|O<2>,5|H<1>}	108.2310	0.000	1	108.2310	0.000	1	108.5863	0.224	7	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(SC[6a]OO){1|C<3>,1|C<4>,5|H<1>}	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:Br-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5]BrH)(N[5]C[5]S)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(Br)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]BrH)(N[5]C[5]S)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(Br)(H){1|C<4>,1|H<1>,1|S<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO){1|Br<1>,3|H<1>}	106.3100	0.000	1	106.3100	0.000	1	106.3100	0.000	1	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH){1|C<2>,2|H<1>,3|C<3>}	109.5930	0.000	1	109.5930	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH){1|C<2>,2|H<1>,3|C<3>}	108.0900	0.000	1	108.0900	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<4>,3|H<1>}	108.0390	0.000	1	108.0390	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH){1|C<4>,3|H<1>}	109.4800	0.000	1	109.4800	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3){3|C<3>,3|H<1>}	109.8653	0.124	4	109.8653	0.015	4	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH){3|C<3>,3|H<1>}	109.2225	0.053	2	109.2225	0.003	2	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	109.7000	0.286	3	109.7000	0.082	3	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){3|C<3>,3|H<1>}	108.2260	0.000	1	108.2260	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CS)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|H<1>,1|S<3>,2|C<3>}	C[5](C[5]C[5]CS)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|S<3>,2|H<1>,3|C<3>}	107.5505	0.023	2	107.5505	0.001	2	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[3]C[5]O)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	N[5](C[5]C[3]C[5]O)(C[5]C[5]O)(CCHH){1|C<4>,1|O<2>,5|H<1>}	108.7470	0.000	1	108.7470	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH){2|C<4>,5|H<1>}	108.3760	0.007	2	108.3760	0.000	2	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<2>,5|H<1>}	108.1530	0.000	1	108.1530	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(CCHH){4|H<1>}	107.7200	0.000	1	107.7200	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	107.4075	0.564	2	107.4075	0.318	2	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH){4|H<1>}	108.7180	0.000	1	108.7180	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[4]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[4]HH){4|H<1>}	109.3170	0.000	1	109.3170	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H){4|H<1>}	108.0800	0.064	2	108.0800	0.004	2	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]3){4|H<1>}	107.9945	0.414	2	107.9945	0.171	2	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	107.8687	0.300	3	107.9777	0.099	6	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	108.0867	0.351	3	107.9777	0.099	6	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){4|H<1>}	108.6075	0.493	2	108.6075	0.243	2	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,2|C<4>}	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCCH){4|H<1>}	109.1650	0.099	2	109.1650	0.010	2	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,2|C<4>}	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH){4|H<1>}	108.9285	0.373	4	108.9285	0.139	4	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|N<3>,2|C<4>}	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	109.1501	0.629	9	109.1501	0.396	9	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<2>,2|C<4>}	N[5](C[5]C[5]CO)(C[5]C[5]O)(CH3){4|H<1>}	109.0320	0.000	1	109.0320	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	108.9890	0.700	25	108.9890	0.490	25	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	108.7391	0.636	27	108.7391	0.405	27	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN){4|H<1>}	108.0160	0.000	1	108.0160	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	108.8176	1.665	87	108.8176	2.771	87	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CHHN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CHHN){4|H<1>}	108.6265	1.217	2	108.6265	1.481	2	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CN[6]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CN[6]HH){4|H<1>}	108.4410	0.000	1	108.4410	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HN)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]C[5]HN)(C[5]C[5]O)(CH3){4|H<1>}	106.2405	2.459	2	106.2405	6.045	2	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]NN)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|N<2>,1|N<3>}	N[5](C[5]C[5]NN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	109.5310	0.000	1	109.5310	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<2>,1|C<3>,1|C<4>}	N[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	109.2210	0.000	1	109.2210	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	108.6790	0.000	1	108.7835	0.022	2	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	108.8880	0.000	1	108.7835	0.022	2	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){2|C<3>,4|H<1>}	108.7010	0.000	1	108.7010	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH){2|C<3>,4|H<1>}	109.0870	0.000	1	109.0870	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	107.7743	0.665	3	107.7743	0.443	3	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,1|N<2>,4|H<1>}	108.6900	0.000	1	108.6900	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|N<3>,3|H<1>}	108.2780	0.000	1	108.2780	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	109.6130	0.000	2	109.6130	0.000	2	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	107.4640	0.000	1	107.4640	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	110.1570	0.000	1	110.1570	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|O<2>,3|H<1>}	108.3904	0.545	5	108.3904	0.297	5	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	108.5780	0.000	1	108.5780	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HS)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|O<2>,1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	N[5](C[5]C[5]HS)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	107.8890	0.000	1	107.8890	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	107.5270	0.103	2	107.5270	0.011	2	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,1|S<4>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){1|S<4>,2|C<3>,3|H<1>}	108.0678	0.189	5	108.0678	0.036	5	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){2|H<1>,4|C<3>}	108.4367	0.311	3	108.4367	0.097	3	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<2>,1|C<4>,3|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|H<1>}	108.7230	0.000	1	108.7230	0.000	1	108.7251	1.450	231	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|S<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){1|C<4>,3|H<1>}	107.6720	0.000	1	107.6720	0.000	1	107.1940	0.153	5	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(SC[6]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|S<4>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(SC[6]OO){4|H<1>}	107.0300	0.000	1	107.0300	0.000	1	107.1940	0.153	5	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,1|S<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	106.6370	0.000	1	106.6370	0.000	1	107.1940	0.153	5	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(SC[6a]OO){1|C<3>,3|H<1>}	107.4060	0.000	1	107.4060	0.000	1	107.1940	0.153	5	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO){1|C<3>,3|H<1>}	107.2250	0.000	1	107.2250	0.000	1	107.1940	0.153	5	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:I-1:I-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]II)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(I)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]II)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(I)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){2|H<1>,2|I<1>}	106.2180	0.000	1	106.2180	0.000	1	106.2180	0.000	1	108.6598	1.468	258	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:4:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](CC[6a]N[5]H)(C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](CC[6a]N[5]H)(C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	108.7915	0.336	2	108.7915	0.113	2	108.4772	0.174	4	108.2861	0.300	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:4:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](CC[6a]N[5]H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](CC[6a]N[5]H)(C[5]C[5]HH)(C[5]C[5]O){4|H<1>}	108.1630	0.113	2	108.1630	0.013	2	108.4772	0.174	4	108.2861	0.300	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:4:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5]2)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]2Fe)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]2)(O){1|Fe<10>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]2Fe)(C[5]C[5]HH)(C[5]C[5]O){2|C<4>,6|H<1>}	107.6280	0.000	1	107.6280	0.000	1	108.0313	0.470	3	108.2861	0.300	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:4:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5]2)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]2)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,3|C<4>,6|H<1>}	108.8230	0.000	1	108.8230	0.000	1	108.0313	0.470	3	108.2861	0.300	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:4:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5]2)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]2)(O){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	107.6430	0.000	1	107.6430	0.000	1	108.0313	0.470	3	108.2861	0.300	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HN)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H)	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]HN)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CC[6a]HH){1|N<2>,3|H<1>}	107.3670	0.000	1	107.3670	0.000	1	107.3670	0.000	1	109.2655	4.990	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CC[6a]HH){2|H<1>,2|O<2>}	108.1235	0.465	2	108.1235	0.216	2	108.0007	0.153	3	109.2655	4.990	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H)	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H){1|C<4>,3|C<3>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>}	107.7550	0.000	1	107.7550	0.000	1	108.0007	0.153	3	109.2655	4.990	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:S[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]S[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(S[5]C[5])(H)	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH)	C[5](C[5]C[5]S[5]H)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(S[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]O)(CCHH){1|C<4>,1|H<1>}	112.2400	0.000	1	112.2400	0.000	1	112.1120	0.033	2	109.2655	4.990	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:S[5]-2:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]S[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(S[5]C[5])(H)	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3)	C[5](C[5]C[5]S[5]H)(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(S[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	N[5](C[5]C[5]O)(C[5]S[5]O)(CH3){1|C<4>,1|H<1>}	111.9840	0.000	1	111.9840	0.000	1	112.1120	0.033	2	109.2655	4.990	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CN)(H)	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(O){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CN)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(H){1|C<2>,1|H<1>,2|C<3>}	107.3010	0.000	1	107.3010	0.000	1	107.3010	0.000	1	107.4978	0.176	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:S-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HS)(N[5]C[5]H)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(SC[6a])(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]HS)(N[5]C[5]H)(O){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(SC[6a])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(H){1|H<1>,1|S<2>,4|C<3>}	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	107.4978	0.176	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]2H)(C[5]N[5]O)(CN)(H)	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]2H)(C[5]N[5]O)(CN)(H){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	107.1760	0.000	1	107.1760	0.000	1	107.1760	0.000	1	107.4978	0.176	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HO)(N[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H){1|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.7400	0.000	1	107.7400	0.000	1	107.4465	0.172	2	107.4978	0.176	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HO)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|O<2>,3|H<1>}	107.1530	0.000	1	107.1530	0.000	1	107.4465	0.172	2	107.4978	0.176	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCO){2|H<1>,2|O<2>}	107.1220	0.000	1	107.1220	0.000	1	107.1220	0.000	1	107.1220	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]2C)(C[5]N[5]O)(OH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]2C)(C[5]N[5]O)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	108.2890	0.126	2	108.2890	0.016	2	108.2890	0.016	2	108.6521	0.549	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]N[5]O)(OH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]O)(OH)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	108.2020	0.000	1	108.2020	0.000	1	108.6837	0.585	23	108.6521	0.549	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<2>,2|H<1>,3|C<3>}	108.6603	0.463	4	108.6603	0.214	4	108.6837	0.585	23	108.6521	0.549	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,3|H<1>}	107.8370	0.000	1	107.8370	0.000	1	108.6837	0.585	23	108.6521	0.549	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(ON[6])(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(ON[6])(H){1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	107.8770	0.288	3	107.8770	0.083	3	108.6837	0.585	23	108.6521	0.549	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(OS)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|O<2>,3|H<1>}	107.9425	0.196	4	107.9425	0.038	4	108.6837	0.585	23	108.6521	0.549	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|N<3>,2|C<4>}	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){2|H<1>,2|O<2>}	109.7810	0.059	2	109.7810	0.004	2	108.6837	0.585	23	108.6521	0.549	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H)	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(OC)(H){1|O<2>,2|C<4>}	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){2|H<1>,2|O<2>}	109.6930	0.000	1	109.6930	0.000	1	108.6837	0.585	23	108.6521	0.549	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HO)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>}	109.1983	0.510	7	109.1983	0.260	7	108.6837	0.585	23	108.6521	0.549	25	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:2:	4:3:1:	C[5]-4:N[5]-3:S-1:	C[5,5]-4:C[5]-3:C-2:C-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]CC)(N[5]C[5]H)(S)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(CN)2	N[5](C[5]C[5,5]CH)(C[5]C[5]S)(H)	C[5](C[5]C[5,5]CC)(N[5]C[5]H)(S){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(CN)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]CH)(C[5]C[5]S)(H){2|C<2>,2|C<3>}	105.2280	0.000	1	105.2280	0.000	1	105.2280	0.000	1	105.2280	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:S[5]-2:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]S[5]C)(N[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	C[5](C[5]C[5]S[5]C)(N[5]C[6a]C[5])(O){1|N<3>,1|S<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,1|S<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){2|C<3>,2|C<4>,2|H<1>}	112.7380	0.000	1	112.7380	0.000	1	112.7380	0.000	1	112.5765	0.052	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6]-4:C[5]-3:S[5]-2:C-4:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6]S[5]C)(N[5]C[6a]C[5])(O)	C[5](C[6]C[6]2H)(C[5]N[5]O)(S[5]C[5])(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	C[5](C[5]C[6]S[5]C)(N[5]C[6a]C[5])(O){1|H<1>,1|S<1>,2|C<3>,2|C<4>}	C[5](C[6]C[6]2H)(C[5]N[5]O)(S[5]C[5])(CH3){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){2|C<3>,2|C<4>,2|H<1>}	112.4150	0.000	1	112.4150	0.000	1	112.4150	0.000	1	112.5765	0.052	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:2:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-3:S[5]-2:C-4:	C[5](C[5]C[5]HN)(N[5]S[5]C)(O)	C[5](C[5]S[5]HH)(C[5]N[5]O)(NCH)(H)	N[5](C[5]C[5]O)(S[5]C[5])(CCCH)	C[5](C[5]C[5]HN)(N[5]S[5]C)(O){2|H<1>}	C[5](C[5]S[5]HH)(C[5]N[5]O)(NCH)(H){1|C<4>}	N[5](C[5]C[5]O)(S[5]C[5])(CCCH){1|N<3>,3|H<1>}	110.6775	0.060	2	110.6775	0.004	2	110.6775	0.004	2	110.6775	0.004	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H)	N[5](C[5]C[5,5]O)(C[5]C[5]H)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]H)(H){2|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]O)(C[5]C[5]H)(H){1|H<1>,1|O<2>,2|C<3>}	102.5323	0.957	3	102.5323	0.916	3	102.5323	0.916	3	105.8486	7.950	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6]O)(H)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6]O)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)2(H){1|C<3>,1|C<4>,2|H<1>}	107.9163	0.527	3	107.9163	0.277	3	107.9163	0.277	3	105.8486	7.950	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5]H)(N[5]C[5]H)(O)	C[5](C[5]C[5,5]C[5]H)(C[5]N[5]O)(N[5]C[5]H)(H)	N[5](C[5]C[5]O)(C[5]N[5]N)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]H)(O){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]C[5]H)(C[5]N[5]O)(N[5]C[5]H)(H){2|H<1>,2|N<3>,4|C<4>}	N[5](C[5]C[5]O)(C[5]N[5]N)(H){1|C<4>,2|H<1>}	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	105.8486	7.950	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(O){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5]O)2(H){2|C<3>,2|H<1>}	108.1830	0.000	1	108.1830	0.000	1	108.1830	0.000	1	105.8486	7.950	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HN)(N[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H)	N[5](C[5]C[5]O)2(OH)	C[5](C[5]C[5]HN)(N[5]C[5]O)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H){1|O<1>,1|O<2>}	N[5](C[5]C[5]O)2(OH){1|N<3>,3|H<1>}	106.9160	0.054	2	106.9160	0.003	2	106.3160	1.081	3	106.3160	1.081	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HN)(N[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H)	N[5](C[5]C[5]O)2(OS)	C[5](C[5]C[5]HN)(N[5]C[5]O)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCH)(H){1|O<1>,1|O<2>}	N[5](C[5]C[5]O)2(OS){1|N<3>,3|H<1>}	105.1160	0.000	1	105.1160	0.000	1	106.3160	1.081	3	106.3160	1.081	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-3:H-1:	N[5,6]-3:C[5]-3:C-3:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(O)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]C)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]C)(H){1|C<4>,3|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O){1|C<4>,2|C<3>,4|H<1>}	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	107.8653	1.838	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:C-3:	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(O)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,2|H<1>,5|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O){1|C<4>,2|C<3>,4|H<1>}	106.4725	0.295	2	106.4725	0.087	2	106.4725	0.087	2	107.8653	1.838	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|O<1>,2|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{4|C<3>,4|H<1>}	109.0817	0.137	3	109.0817	0.019	3	109.0817	0.019	3	107.8653	1.838	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(COO)(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	107.9910	0.000	1	107.9910	0.000	1	107.9910	0.000	1	107.8506	0.693	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O)	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(O){5|C<3>}	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	107.8240	0.000	1	107.8240	0.000	1	107.8240	0.000	1	107.8506	0.693	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCH)(H)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCH)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CH3){1|C<3>,3|H<1>}	109.1640	0.000	1	109.1640	0.000	1	109.1640	0.000	1	107.8506	0.693	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5]N[5]H)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]N[5]H)(N[5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]N[5]O)(N[5]C[5]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	107.0670	0.000	1	107.0670	0.000	1	107.0670	0.000	1	107.8506	0.693	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5]C[5]O)2(CH3){2|C<3>,2|H<1>}	107.2070	0.000	1	107.2070	0.000	1	107.2070	0.000	1	107.8506	0.693	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	3:4:3:	C[5]-4:N[5]-3:O-1:	C[6]-4:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6]N[5]H)(N[5]C[6a]C[5])(O)	C[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]C)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[5](C[5]C[6]N[5]H)(N[5]C[6a]C[5])(O){2|C<3>,3|C<4>,3|H<1>}	C[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<3>,2|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	106.4770	0.000	1	106.4770	0.000	1	106.4770	0.000	1	106.4770	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CC[6]O)(H)	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CC[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(H){2|H<1>,3|C<3>}	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	107.9900	0.355	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:F-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CF)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(F)	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]CF)(N[5]C[5]H)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(F){3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,1|F<1>,2|H<1>}	108.5000	0.000	1	108.5000	0.000	1	108.5000	0.000	1	107.9900	0.355	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(COO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(COO)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	107.5915	0.190	2	107.5915	0.036	2	107.6662	0.020	4	107.9900	0.355	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)(H){2|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|H<1>}	107.7620	0.000	1	107.7620	0.000	1	107.6662	0.020	4	107.9900	0.355	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]O)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]O)(H){2|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){2|C<3>,2|H<1>}	107.7200	0.000	1	107.7200	0.000	1	107.6662	0.020	4	107.9900	0.355	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HN)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(NHH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HN)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(NHH)(H){2|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,1|N<3>,2|H<1>}	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	107.9900	0.355	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:1:	C[5]-4:N[5]-3:S-1:	C[5]-4:C[5a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]H)(S)	C[5](C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(C[5]N[5]S)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]H)(S){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5a]C[5a]O[5a])(C[5]N[5]S)(H){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.9900	0.355	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]N[5]H)(N[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC)	C[5](C[5]C[5]N[5]H)(N[5]C[5]O)(O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC){1|N<3>,3|H<1>}	105.2230	0.000	1	105.2230	0.000	1	105.2230	0.000	1	105.2230	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HN)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	C[5](C[5]C[5]HN)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(NCN)(H){1|H<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){1|N<3>,3|H<1>}	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5,6]C)(O)	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5,6]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	107.6087	0.880	15	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(O)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|I<1>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	108.2210	0.000	1	108.2210	0.000	1	108.2210	0.000	1	107.6087	0.880	15	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(COO)(H){3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	108.0415	0.148	2	108.0415	0.022	2	108.0863	0.017	3	107.6087	0.880	15	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC3)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO)(H){3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC3){1|C<3>,2|C<4>,4|H<1>}	108.1760	0.000	1	108.1760	0.000	1	108.0863	0.017	3	107.6087	0.880	15	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5a]C[5a]2)(C[5]N[5]O)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,6]S)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5a]C[5a]2)(C[5]N[5]O)(H){1|Cl<1>,1|C<3>,1|S<2>,1|S<4>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	106.6100	0.000	1	106.6100	0.000	1	106.6100	0.000	1	107.6087	0.880	15	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SCOO)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SCOO){1|C<4>,2|C<3>,4|H<1>}	108.0440	0.000	1	108.0440	0.000	1	107.6386	0.195	5	107.6087	0.880	15	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	107.3515	0.624	2	107.5373	0.191	4	107.6386	0.195	5	107.6087	0.880	15	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|Cl<1>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	107.7230	0.212	2	107.5373	0.191	4	107.6386	0.195	5	107.6087	0.880	15	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]S)(O)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]S)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,2|C<3>,2|C<4>,8|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	106.6875	0.037	2	106.3200	0.406	3	106.3200	0.406	3	107.6087	0.880	15	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]S)(O)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]S)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,2|C<3>,3|C<4>,7|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	105.5850	0.000	1	106.3200	0.406	3	106.3200	0.406	3	107.6087	0.880	15	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(COO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(COO)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3){1|C<3>,1|C<4>,2|H<1>}	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	107.6087	0.880	15	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(OH)	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(OH){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<3>,1|O<2>,2|H<1>}	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:2:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CO)(N[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]O)(OH)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]CO)(N[5]C[5]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]O)(OH){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<3>,1|H<1>,2|O<2>}	108.2340	0.778	2	108.2340	0.605	2	108.2340	0.605	2	108.2340	0.605	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:2:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a]O)(N[5]C[6a]C[5])(O)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH)	N[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6]C[6a]O)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	N[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	108.2960	0.000	1	108.2960	0.000	1	108.2960	0.000	1	108.2960	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:3:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C[6a])(O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C[6a])(O){9|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|N<3>,1|O<1>,3|H<1>,9|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,5|C<3>}	108.3780	0.550	2	108.3780	0.303	2	108.3780	0.303	2	108.3780	0.303	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	107.1340	0.000	1	107.1340	0.000	1	107.1340	0.000	1	107.7343	0.171	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(O){5|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.0710	0.000	1	108.0710	0.000	1	108.0710	0.000	1	107.7343	0.171	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:3:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O){7|C<3>}	C[5](C[5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,8|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.8660	0.066	2	107.8660	0.004	2	107.8660	0.004	2	107.7343	0.171	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-3:C-3:	C[3,5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]C)(N[5]C[3,5]C)(O)	C[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)(COO)	N[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(CCHH)	C[5](C[5]C[6a]C[5]C)(N[5]C[3,5]C)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]O)(COO){2|C<3>,2|H<1>,3|C<4>}	N[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(CCHH){2|C<3>,6|H<1>}	108.7010	0.000	1	108.7010	0.000	1	108.7010	0.000	1	108.7010	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)	C[5](C[5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH){1|Br<1>,1|N<2>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:4:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]N[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]N[5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:3:4:	4:4:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:N[5]-3:C-4:	C[5]-4:C-4:C[5]-3:	C[5](C[5]C[5]N[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(CC[6a]HH)	N[5](C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O)	C[5](C[5]C[5]N[5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|H<1>}	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]C[5]O)2(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)2(H){1|C<3>,1|C<4>,2|H<1>}	109.3223	1.162	3	109.3223	1.350	3	109.3223	1.350	3	109.0320	1.237	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:P-4:H-1:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]HP)(N[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(PO3)(H)	N[5](C[5]C[5]O)2(O)	C[5](C[5]C[5]HP)(N[5]C[5]O)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(PO3)(H){2|O<1>}	N[5](C[5]C[5]O)2(O){1|P<4>,3|H<1>}	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	109.0320	1.237	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	N[5,6]-3:C[5]-3:C-3:	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(O)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	107.7200	0.000	2	107.7200	0.000	2	107.7200	0.000	2	107.7200	0.000	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCN)(H)	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCN)(H){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<4>,3|H<1>}	108.2790	0.000	1	108.2790	0.000	1	108.4033	0.050	3	108.4033	0.050	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]CH)(H)	N[5](C[5]C[5]O)2(CH3)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]CH)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)2(CH3){1|C<3>,1|C<4>,2|H<1>}	108.4655	0.276	2	108.4655	0.076	2	108.4033	0.050	3	108.4033	0.050	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:F-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]FS)(N[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)(F)	N[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[5]FS)(N[5]C[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)(F){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|C<3>,1|F<1>,1|H<1>,1|S<4>}	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	108.8237	0.906	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[4,5]-4:C[5]-3:C-4:H-1:	C[4,5]-4:C[5]-3:H-1:	C[5](C[5]C[4,5]CH)(N[5]C[4,5]H)(O)	C[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]O)(CH3)(H)	N[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]O)(H)	C[5](C[5]C[4,5]CH)(N[5]C[4,5]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.8350	0.189	3	109.8350	0.036	3	109.8350	0.036	3	108.8237	0.906	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]H)(O){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)(H){2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(H){3|C<4>,4|H<1>}	108.0440	0.000	1	108.0440	0.000	1	108.0440	0.000	1	108.8237	0.906	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CCHH)(H)	N[5](C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(H){1|H<1>,1|O<2>,2|C<4>}	108.7650	0.000	1	108.7650	0.000	1	108.5192	0.148	8	108.8237	0.906	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H)	N[5](C[5]C[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(H){1|H<1>,1|O<2>,2|C<4>}	108.7440	0.448	3	108.7440	0.201	3	108.5192	0.148	8	108.8237	0.906	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<4>,1|N<3>,2|H<1>}	108.0090	0.000	1	108.0090	0.000	1	108.5192	0.148	8	108.8237	0.906	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCHN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCHN)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<4>,1|O<2>,2|H<1>}	108.2810	0.000	1	108.2810	0.000	1	108.5192	0.148	8	108.8237	0.906	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|Si<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|Si<4>,1|H<1>,2|C<4>}	108.2230	0.000	1	108.2230	0.000	1	108.5192	0.148	8	108.8237	0.906	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	N[5](C[5]C[5]HO)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|Si<4>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|O<2>,2|H<1>}	N[5](C[5]C[5]HO)(C[5]C[5]O)(H){1|Si<4>,1|H<1>,2|C<4>}	108.6440	0.000	1	108.6440	0.000	1	108.5192	0.148	8	108.8237	0.906	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:N-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HN)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HN)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(NH3)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|N<4>,3|H<1>}	107.1490	0.000	1	107.1490	0.000	1	107.1490	0.000	1	108.8237	0.906	14	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]CH)(N[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(OC)	C[5](C[5]C[5]CH)(N[5]C[5]O)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(OC){1|C<4>,2|C<3>,3|H<1>}	106.5680	0.000	1	106.5680	0.000	1	106.5680	0.000	1	106.5680	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(O)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCO)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(O){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)(H){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.1840	0.000	1	109.1840	0.000	1	109.1840	0.000	1	108.6793	0.210	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O){1|C<4>,3|H<1>}	108.5660	0.000	1	108.5660	0.000	1	108.4270	0.039	2	108.6793	0.210	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|Si<4>,1|H<1>,2|C<4>}	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){1|Si<4>,1|H<1>,2|C<4>}	108.2880	0.000	1	108.2880	0.000	1	108.4270	0.039	2	108.6793	0.210	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH){1|C<3>,3|C<4>,3|H<1>}	108.9915	0.039	4	108.9915	0.002	4	109.0494	0.018	5	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){3|H<1>,4|C<4>}	109.2810	0.000	1	109.2810	0.000	1	109.0494	0.018	5	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(O){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(H){1|Cl<1>,1|S<4>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){3|C<4>,4|H<1>}	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:Cl-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]ClC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHHN)(Cl)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]ClC)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHHN)(Cl){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,2|H<1>}	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	108.0385	0.298	2	108.0385	0.089	2	108.9594	0.840	13	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CCCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CCCH)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH){2|C<4>,2|H<1>}	108.5260	0.000	1	108.5260	0.000	1	108.9594	0.840	13	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CS)(C[5]N[5]O)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5]CS)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	108.4570	0.000	1	108.4570	0.000	1	108.9594	0.840	13	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,3|H<1>}	109.2278	0.537	4	109.2278	0.289	4	108.9594	0.840	13	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<4>,1|N<3>,2|H<1>}	109.0850	0.000	1	109.0850	0.000	1	108.9594	0.840	13	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	107.4980	0.000	1	107.4980	0.000	1	108.9594	0.840	13	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	108.9840	0.000	1	108.9840	0.000	1	108.9594	0.840	13	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|Si<4>,1|C<3>,2|H<1>}	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	110.4670	0.000	2	110.4670	0.000	2	108.9594	0.840	13	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HO)(H){1|S<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	107.3630	0.000	1	107.3630	0.000	1	106.7242	0.240	4	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)(H){1|S<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){1|C<4>,3|H<1>}	106.4765	0.409	2	106.4765	0.168	2	106.7242	0.240	4	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5]CH)(N[5]C[5]S)(O)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	106.5810	0.000	1	106.5810	0.000	1	106.7242	0.240	4	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HS)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HS)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|S<4>,2|H<1>}	107.7187	0.267	3	107.7187	0.071	3	107.8842	0.091	5	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HS)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HS)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(SC[6a]OO)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|C<4>,1|S<4>,2|H<1>}	108.0450	0.000	1	108.0450	0.000	1	107.8842	0.091	5	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HS)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(SC[6a]OO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HS)(N[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(SC[6a]OO)(H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|S<4>,2|H<1>}	108.2200	0.000	1	108.2200	0.000	1	107.8842	0.091	5	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](N[5]C[5]HH)(C[5]N[5]O)(CCHH)(H)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CCHH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	C[5](N[5]C[5]HH)(C[5]N[5]O)(CCHH)(H){3|C<4>}	N[5](C[5]N[5]CC)(C[5]C[5]O)(CCHH){1|C<4>,3|H<1>}	108.5090	0.000	1	108.5090	0.000	1	108.4372	0.264	12	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	108.3330	0.000	1	108.3330	0.000	1	108.4372	0.264	12	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H){3|C<4>}	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	108.4404	0.567	10	108.4404	0.321	10	108.4372	0.264	12	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:S-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(N[5]C[5]C)(S)	C[5](C[5]C[5]HH)(C[5]N[5]S)(CCCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]S)(CC[6a]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(S){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]S)(CCCH)(H){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]S)(CC[6a]HH){1|C<4>,3|H<1>}	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	108.4075	0.844	42	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:2:	3:2:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:O[5]-2:H-1:	C[5](C[5]C[5]CO)(N[5]O[5]H)(O)	C[5](C[5]O[5]HH)(C[5]N[5]O)(CC[6a]HH)(OH)	N[5](C[5]C[5]O)(O[5]C[5])(H)	C[5](C[5]C[5]CO)(N[5]O[5]H)(O){2|H<1>}	C[5](C[5]O[5]HH)(C[5]N[5]O)(CC[6a]HH)(OH){1|H<1>}	N[5](C[5]C[5]O)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>}	108.4155	0.120	2	108.4155	0.014	2	108.4155	0.014	2	108.4155	0.014	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:2:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH)	N[5](C[5]C[5]O)2(CCHH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH){1|C<4>,1|O<1>}	N[5](C[5]C[5]O)2(CCHH){1|C<4>,1|O<2>,2|H<1>}	108.4060	0.536	2	108.4060	0.287	2	108.4060	0.287	2	108.4060	0.287	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:2:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CO)(N[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC)	N[5](C[5]C[5]CO)(C[5]C[5]O)(H)	C[5](C[5]C[5]CO)(N[5]C[5]H)(O){1|C<3>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC){1|C<3>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CO)(C[5]C[5]O)(H){1|C<4>,1|H<1>,2|O<2>}	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:2:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(OH)	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(OH){1|C<3>,1|C<4>,1|O<2>}	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>}	108.1665	0.834	2	108.1665	0.695	2	108.6073	0.230	12	108.6073	0.230	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:2:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.9305	0.899	2	108.9305	0.808	2	108.6073	0.230	12	108.6073	0.230	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:2:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.5262	0.143	6	108.5262	0.021	6	108.6073	0.230	12	108.6073	0.230	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:2:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.9685	0.151	2	108.9685	0.023	2	108.6073	0.230	12	108.6073	0.230	12	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:3:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(N[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]HH)(COO)	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(N[5]C[5]H)(O){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]HH)(COO){3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	108.1170	0.000	1	108.1170	0.000	1	108.3955	0.155	2	108.3955	0.155	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:3:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHHN)(COO)	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]CC)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHHN)(COO){2|C<3>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	108.6740	0.000	1	108.6740	0.000	1	108.3955	0.155	2	108.3955	0.155	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]CC)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(COO)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6]CC)(N[5]C[5,6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(COO){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>,3|C<4>}	109.0410	0.000	1	109.0410	0.000	1	109.0410	0.000	1	108.9980	0.482	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]CH)(COO)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]CH)(COO){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,2|H<1>}	108.6520	0.000	1	108.6520	0.000	1	109.0957	0.728	4	108.9980	0.482	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]CH)(COO)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]CH)(COO){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	109.2430	0.000	1	109.2430	0.000	1	109.0957	0.728	4	108.9980	0.482	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(COO)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(COO){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,3|C<3>}	108.2640	0.000	1	108.2640	0.000	1	109.0957	0.728	4	108.9980	0.482	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CH3)(COO)	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CH3)(COO){1|C<3>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.2240	0.000	1	110.2240	0.000	1	109.0957	0.728	4	108.9980	0.482	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:3:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]2)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[6a]C[5]2)(N[5]C[5]C)(O){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	108.9980	0.482	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]CC)(N[5]C[5]N)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	N[5](C[5]C[5]O)2(NC[6a]C)	C[5](C[5]C[5]CC)(N[5]C[5]N)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|N<3>,1|O<1>}	N[5](C[5]C[5]O)2(NC[6a]C){2|C<4>,2|H<1>}	107.4550	0.000	1	107.4550	0.000	1	107.9455	0.481	2	107.9455	0.481	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[5]CC)(N[5]C[5]N)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	N[5](C[5]C[5]O)2(NC[6a]H)	C[5](C[5]C[5]CC)(N[5]C[5]N)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|N<3>,1|O<1>}	N[5](C[5]C[5]O)2(NC[6a]H){2|C<4>,2|H<1>}	108.4360	0.000	1	108.4360	0.000	1	107.9455	0.481	2	107.9455	0.481	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	4:3:1:	C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CC)(N[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	N[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[5]CC)(N[5]C[5]O)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	N[5](C[5]C[5]CH)(C[5]C[5]H)(O){2|C<4>,2|H<1>}	113.5440	0.000	1	113.5440	0.000	1	113.5440	0.000	1	113.5440	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]O){2|C<4>,2|H<1>}	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	4:3:4:	C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	N[5](C[5]C[5]CC)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{3|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]H)(CC3){2|C<4>,2|H<1>}	115.7140	0.000	1	115.7140	0.000	1	115.1620	0.609	2	110.1175	7.599	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	4:3:4:	C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	N[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{3|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){2|C<4>,2|H<1>}	114.6100	0.000	1	114.6100	0.000	1	115.1620	0.609	2	110.1175	7.599	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]CC)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5,6]CC)(N[5]C[5,6]C)(O){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)2{3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH){1|W<7>,2|H<1>,4|C<4>}	108.9415	0.237	2	108.9415	0.056	2	108.9415	0.056	2	110.1175	7.599	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(CCFF)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(CCFF){1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	108.0445	0.057	2	108.0445	0.003	2	108.4640	0.530	3	110.1175	7.599	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	109.3030	0.000	1	109.3030	0.000	1	108.4640	0.530	3	110.1175	7.599	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]CC)(N[5]C[5]S)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2{1|S<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(SC[6a]OO){1|H<1>,3|C<4>}	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	110.1175	7.599	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	4:3:4:	C[5]-4:N[5]-3:Se-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(Se)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH)	N[5](C[5]C[5]HH)(C[5]C[5]Se)(CH3)	C[5](C[5]C[5]CC)(N[5]C[5]C)(Se){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]Se)(CH3){1|C<3>,1|H<1>,2|C<4>}	109.9190	0.000	1	109.9190	0.000	1	109.7985	0.029	2	110.1175	7.599	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	4:3:4:	C[5]-4:N[5]-3:Se-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(Se)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH)	N[5](C[5]C[5]HH)(C[5]C[5]Se)(CH3)	C[5](C[5]C[5]CC)(N[5]C[5]C)(Se){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]Se)(CH3){1|C<3>,1|H<1>,2|C<4>}	109.6780	0.000	1	109.6780	0.000	1	109.7985	0.029	2	110.1175	7.599	10	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O)	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]C[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	108.0168	0.180	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6,6]-4:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6,6]C[5]H)(N[5]C[6a]C[5])(O)	C[5](C[6,6]C[5a,6]C[6,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[6,6]C[5]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6,6]C[5a,6]C[6,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	108.5310	0.000	1	108.5310	0.000	1	108.5310	0.000	1	108.0168	0.180	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6]H)(N[5]C[6a]C[5])(O)	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[6]C[5a,6]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	108.0620	0.000	1	108.0620	0.000	1	108.0205	0.003	2	108.0168	0.180	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:4:3:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5]C[6]H)(N[5]C[6a]C[5])(O)	C[5](C[6]C[6,6a]2H)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[5](C[5]C[5]C[6]H)(N[5]C[6a]C[5])(O){1|O<1>,3|H<1>,4|C<3>}	C[5](C[6]C[6,6a]2H)(C[5]C[5]HH)(C[5]N[5]O)(H){1|O<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	107.9790	0.000	1	107.9790	0.000	1	108.0205	0.003	2	108.0168	0.180	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:4:3:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]2H)(N[5]C[5]C)(O)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]O)2(CC[6a]HH)	C[5](C[5]C[5]2H)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	N[5](C[5]C[5]O)2(CC[6a]HH){1|C<4>,3|H<1>}	108.5590	0.000	1	108.5590	0.000	1	108.5590	0.000	1	108.5590	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2H)(N[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]O[5]2C)(C[5]N[5]O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]2H)(N[5]C[5]H)(O){2|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]O[5]2C)(C[5]N[5]O)(H){2|H<1>,3|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){2|C<4>,2|H<1>}	109.0885	0.334	2	109.0885	0.112	2	109.0885	0.112	2	109.1313	0.061	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[6]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]C[6]H)(N[5]C[5]H)(O)	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]C[6]H)(N[5]C[5]H)(O){2|C<4>,2|O<2>,3|H<1>}	C[5](C[6]C[6]O[6]O)(C[5]C[5]HH)(C[5]N[5]O)(H){3|C<4>,4|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){1|C<4>,3|H<1>}	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	109.1313	0.061	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:4:3:1:	4:3:3:	C[5]-4:N[5]-3:S-1:	C[3x5,6]-4:C[5]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:C-3:	C[5](C[5]C[3x5,6]C[5]H)(N[5]C[5,5,6]C)(S)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[3x5,6]C[5]H)(C[5]N[5]S)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]S)(CCO)	C[5](C[5]C[3x5,6]C[5]H)(N[5]C[5,5,6]C)(S){1|C<3>,2|H<1>,4|C<4>}	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[3x5,6]C[5]H)(C[5]N[5]S)(H){1|C<3>,1|N<3>,1|S<1>,3|H<1>,8|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]S)(CCO){3|H<1>,4|C<4>}	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:1:	4:4:3:1:	4:3:4:	C[5]-4:N[5]-3:S-1:	C[5]-4:C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]2H)(N[5]C[5]C)(S)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]S)(H)	N[5](C[5]C[5]HH)(C[5]C[5]S)(CH3)	C[5](C[5]C[5]2H)(N[5]C[5]C)(S){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]S)(H){1|N<3>,1|S<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]S)(CH3){1|C<4>,3|H<1>}	109.0920	0.000	1	109.0920	0.000	1	109.0920	0.000	1	109.0920	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-2:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]H)(OMo)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]H)(OMo){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(Cl)2{2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|Cl<1>,1|H<1>,2|C<3>}	107.3085	0.050	2	107.3085	0.003	2	107.3085	0.003	2	107.3085	0.003	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(Cl)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CCHH)	C[5](C[5]C[5,6a]Cl2)(N[5]C[5,6a]C)(NS){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(Cl)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CCHH){2|Cl<1>,1|H<1>,2|C<3>}	106.2770	0.000	1	106.2770	0.000	1	106.2770	0.000	1	106.5115	0.110	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:N-2:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]N[5]HH)(N[5]C[5]C)(NS)	C[5](C[5]N[5]N)(N[5]C[5]H)(H)2	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(NS){1|H<1>,1|O<1>}	C[5](C[5]N[5]N)(N[5]C[5]H)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH){3|H<1>}	106.7460	0.000	1	106.7460	0.000	1	106.7460	0.000	1	106.5115	0.110	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:2:3:	3:3:4:	C[5]-4:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:S-2:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(NS){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a])(CCH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|S<2>,3|C<3>}	107.6280	0.000	1	107.6280	0.000	1	107.6280	0.000	1	107.6280	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:3:1:	3:3:4:	C[5]-4:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|F<1>,1|H<1>,3|C<3>}	107.6360	0.000	1	107.3965	0.115	2	107.3965	0.115	2	107.3965	0.115	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:3:1:	3:3:4:	C[5]-4:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:F-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5](C[5]C[5,6a]C[6a]F)(N[5]C[5,6a]C)(NS){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(F){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|F<1>,1|H<1>,3|C<3>}	107.1570	0.000	1	107.3965	0.115	2	107.3965	0.115	2	107.3965	0.115	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:3:2:	3:3:1:	C[5]-4:N[5]-3:N-2:	N[5,6]-3:C[6a]-3:C[5]-3:O-2:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]N[5,6]C[6a]O)(N[5]C[5,6]H)(NO)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(OC)	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]N)(H)	C[5](C[5]N[5,6]C[6a]O)(N[5]C[5,6]H)(NO){1|N<2>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(OC){1|N<2>,3|C<3>,4|H<1>}	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]N)(H){1|O<2>,3|C<3>}	109.4610	0.000	1	109.4610	0.000	1	109.4610	0.000	1	109.4610	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(NS){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,1|O<2>,3|C<3>}	107.6460	0.000	1	107.6460	0.000	1	107.6460	0.000	1	107.6460	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:3:3:	3:3:3:	C[5]-4:N[5]-3:N-2:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]2N[5])(N[5]C[6a]C[5])(NH)	C[5](C[6a]C[6a]2)2(C[5]N[5]N)(N[5]C[5]H)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O)	C[5](C[5]C[6a]2N[5])(N[5]C[6a]C[5])(NH){1|H<1>,1|O<1>,6|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]N)(N[5]C[5]H){1|O<1>,4|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O){3|H<1>,4|C<3>}	106.8110	0.000	1	106.8110	0.000	1	106.8110	0.000	1	106.8110	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:N-2:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5](C[5]C[5,6a]C[5a]2)(N[5]C[5,6a]C)(NS){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]N){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|H<1>,4|C<3>}	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	106.7102	0.328	5	106.7102	0.108	5	106.7102	0.108	5	106.7102	0.108	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:4:1:	3:3:4:	C[5]-4:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(F)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(NS){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(F){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(NC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(NC[6a]){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)(OH){2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:4:2:	3:3:4:	C[5]-4:N[5]-3:N-2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(NS){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:4:4:	4:3:1:	C[5]-4:N[5]-3:Se-2:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(SeC[6a])	C[5](C[5]N[5]Se)(N[5]C[5]C)(CH3)2	N[5](C[5]N[5]CC)(C[5]C[5]Se)(O)	C[5](C[5]N[5]CC)(N[5]C[5]O)(SeC[6a]){3|C<4>}	C[5](C[5]N[5]Se)(N[5]C[5]C)(CH3)2{1|O<1>,2|C<4>}	N[5](C[5]N[5]CC)(C[5]C[5]Se)(O){3|C<4>}	111.3750	0.000	1	111.3750	0.000	1	111.3750	0.000	1	111.3750	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:4:3:1:	3:3:3:	C[5]-4:N[5]-3:N-2:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(NS)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]N)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]N)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(NS){1|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]N)(H){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]N){4|C<3>,4|H<1>}	108.6160	0.000	1	108.6160	0.000	1	108.6160	0.000	1	108.6160	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	3:4:3:3:	4:3:4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(NC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)(NCH)	N[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]HH)	C[5](C[5]C[6a]C[5]N)(N[5]C[5]C)(NC){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)(NCH){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	108.9020	0.000	1	108.9020	0.000	1	108.9020	0.000	1	108.9020	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NS)	C[5](C[5]C[5]CO)(C[5]N[5]N)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]N)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NS){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CO)(C[5]N[5]N)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]N)(CCO){2|C<3>,2|H<1>,2|O<2>}	108.0660	0.000	1	108.0660	0.000	1	108.0660	0.000	1	109.1677	2.556	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]HH)(N[5]C[5]2)(NN)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]2)(NN){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	107.5860	0.000	1	107.5860	0.000	1	107.5860	0.000	1	109.1677	2.556	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OMo)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CMoC)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OMo){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CMoC){4|H<1>}	110.5095	0.592	2	110.5095	0.350	2	110.5095	0.350	2	109.1677	2.556	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:N-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(NS)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]N)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NS){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]N)(CH3){4|H<1>}	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	110.0319	2.003	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OBi)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OBi){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	109.3490	0.000	1	109.3490	0.000	1	110.1172	1.974	18	110.0319	2.003	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OCu)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OCu){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	108.3270	0.000	1	108.3270	0.000	1	110.1172	1.974	18	110.0319	2.003	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OH)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	111.8560	0.000	1	111.8560	0.000	1	110.1172	1.974	18	110.0319	2.003	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OH)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	111.6996	1.258	5	111.6996	1.582	5	110.1172	1.974	18	110.0319	2.003	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OMg)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OMg){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<3>,3|H<1>}	109.0280	0.000	1	109.3460	0.222	3	110.1172	1.974	18	110.0319	2.003	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OMg)	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OMg){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<4>,3|H<1>}	109.5050	0.540	2	109.3460	0.222	3	110.1172	1.974	18	110.0319	2.003	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(ORu)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CRuCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(ORu){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CRuCH){4|H<1>}	110.3950	0.000	1	110.3950	0.000	1	110.1172	1.974	18	110.0319	2.003	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OSn)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OSn){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	109.1168	0.382	5	109.1168	0.146	5	110.1172	1.974	18	110.0319	2.003	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:2:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(OZn)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OZn){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	110.0630	0.000	1	110.0630	0.000	1	110.1172	1.974	18	110.0319	2.003	19	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:2:1:1:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:C[5]-3:S-4:	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrH)	C[5](C[5]N[5]C)(O[5]C[5])(H)2	N[5](C[5]C[5]C)(C[5]O[5]O)(SC[6a]OO)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrH){1|O<1>}	C[5](C[5]N[5]C)(O[5]C[5])(H)2{1|O<1>,1|S<4>}	N[5](C[5]C[5]C)(C[5]O[5]O)(SC[6a]OO){2|H<1>}	104.5160	0.000	1	104.5160	0.000	1	104.5160	0.000	1	104.5160	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:2:1:1:	4:3:2:	C[5]-4:N[5]-3:C-3:	C[5]-3:O[5]-2:H-1:H-1:	P[5]-4:C[5]-3:C-2:	C[5](C[5]O[5]HH)(N[5]P[5]C)(CCC)	C[5](C[5]N[5]C)(O[5]P[5])(H)2	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a])	C[5](C[5]O[5]HH)(N[5]P[5]C)(CCC){1|B<4>,1|C<3>}	C[5](C[5]N[5]C)(O[5]P[5])(H)2{1|B<4>,1|C<2>,1|C<3>}	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]){2|C<3>,2|H<1>}	103.6950	0.000	1	103.6950	0.000	1	103.6950	0.000	1	103.6950	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:2:1:1:	4:3:4:	C[5]-4:N[5]-3:C-3:	C[5]-3:O[5]-2:H-1:H-1:	P[5]-4:C[5]-3:C-4:	C[5](C[5]O[5]HH)(N[5]P[5]C)(CCC)	C[5](C[5]N[5]C)(O[5]P[5])(H)2	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]O[5]HH)(N[5]P[5]C)(CCC){1|B<4>,1|C<3>}	C[5](C[5]N[5]C)(O[5]P[5])(H)2{1|B<4>,1|C<3>,1|C<4>}	N[5](P[5]C[6a]O[5]B)(C[5]C[5]C)(CC[6a]HH){2|C<3>,2|H<1>}	103.3350	0.000	1	103.3350	0.000	1	103.3350	0.000	1	103.3350	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:2:4:4:	3:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[5]-3:C-3:	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]H)	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]O)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]H){1|O<1>}	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]O){2|C<4>}	105.8280	0.000	1	105.8280	0.000	1	105.8280	0.000	1	105.8280	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:F-1:F-1:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(F)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(F)2{2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|F<1>}	106.6140	0.000	1	106.6140	0.000	1	106.6140	0.000	1	106.6140	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:2:1:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(OH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CC[6a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(OH)(H){1|H<1>,1|S<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:N[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(C[6]C[6]2){2|O<1>,2|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	108.2170	0.020	2	108.2170	0.000	2	108.2170	0.000	2	108.2170	0.000	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:3:3:	3:2:3:	C[5]-4:N[5]-3:C-3:	C[5]-3:C[5]-3:C-3:C-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[5]CC)(N[5]N[5]C)(CC[6a]H)	C[5](C[5]N[5]C)(C[5]N[5]O)(COO)2	N[5](C[5]C[5]C)(N[5]C[5])(COO)	C[5](C[5]C[5]CC)(N[5]N[5]C)(CC[6a]H){1|O<2>}	C[5](C[5]N[5]C)(C[5]N[5]O)(COO)2{1|C<3>}	N[5](C[5]C[5]C)(N[5]C[5])(COO){1|O<2>,2|C<3>}	102.7670	0.000	1	102.7670	0.000	1	102.7670	0.000	1	102.7670	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(CCH){1|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,4|C<3>}	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	108.4680	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H){1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3){1|N<3>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,5|C<3>}	107.6820	0.000	1	107.6820	0.000	1	107.6820	0.000	1	107.6820	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO){1|C<4>,2|C<3>,2|H<1>}	106.0930	0.000	1	106.0930	0.000	1	106.0930	0.000	1	106.0575	0.003	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]HP)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PC[6a]2O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[5,6a]HP)(N[5]C[5,6a]C)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PC[6a]2O)(H){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]O){1|P<4>,2|C<3>,2|H<1>}	106.0220	0.000	1	106.0220	0.000	1	106.0220	0.000	1	106.0575	0.003	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:1:	4:3:1:	C[5]-4:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){4|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	115.1690	0.122	2	115.1690	0.015	2	115.1690	0.015	2	115.1690	0.015	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:2:	3:3:1:	C[5]-4:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	108.5870	1.785	2	108.5870	3.185	2	108.5870	3.185	2	108.5870	3.185	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:3:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5a]-3:C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]C[6a]C[5])(N[5]C[5]H)(CHH)	C[5](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5a]C[6a]C[5])(N[5]C[5]H)(CHH){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){2|C<3>,2|H<1>}	106.9240	0.000	1	106.9240	0.000	1	106.9240	0.000	1	106.9240	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Cl<1>,2|C<3>,2|C<4>}	109.9910	0.000	1	108.8540	0.441	5	108.7466	0.395	13	108.7466	0.395	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|C<4>}	108.7510	0.000	1	108.8540	0.441	5	108.7466	0.395	13	108.7466	0.395	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	108.5093	0.228	3	108.8540	0.441	5	108.7466	0.395	13	108.7466	0.395	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	108.4790	0.000	1	108.4790	0.000	1	108.7466	0.395	13	108.7466	0.395	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	107.7380	0.317	2	107.7380	0.100	2	108.7466	0.395	13	108.7466	0.395	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	109.1273	0.164	4	109.1273	0.027	4	108.7466	0.395	13	108.7466	0.395	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	108.9720	0.000	1	108.9720	0.000	1	108.7466	0.395	13	108.7466	0.395	13	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	109.6830	0.000	1	109.6830	0.000	1	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	108.8322	0.787	26	108.8322	0.620	26	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	108.4913	0.568	3	108.4913	0.323	3	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	109.4887	0.493	32	109.4887	0.243	32	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|F<1>,2|C<3>,2|C<4>}	109.4045	0.100	2	108.7648	0.919	9	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.5820	1.024	7	108.7648	0.919	9	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	109.1005	0.162	2	109.1005	0.026	2	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	107.8670	0.000	1	107.8670	0.000	1	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	108.1945	0.210	2	108.1945	0.044	2	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.5590	0.006	2	108.5590	0.000	2	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	108.6368	0.542	5	108.6368	0.293	5	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[5]I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[5]I){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	107.8870	0.071	2	107.8870	0.005	2	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	107.8160	0.000	1	107.8160	0.000	1	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	107.7110	0.000	1	107.7110	0.000	1	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CHN){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	108.8625	0.347	2	108.8625	0.121	2	108.9787	0.588	89	108.9787	0.588	89	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:1:1:	3:4:1:	C[5]-4:C[6]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]H)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]H){2|O<1>,2|O<2>,4|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5]C[6])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:1:1:	3:4:4:	C[5]-4:C[4]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:S-4:	C[5](C[5]C[5]HH)(C[4]C[4]2)(N[5]C[5]S)	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[4]C[5])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(C[4]C[4]2)(N[5]C[5]S){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5](C[5]C[4]C[5])(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,4|H<1>}	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:3:1:	3:2:1:	C[5]-4:N[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CC[6a]O){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>,2|H<1>}	111.1730	0.000	1	111.1730	0.000	1	111.6844	0.115	5	111.6844	0.115	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:3:1:	3:2:1:	C[5]-4:N[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(COO)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H)	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(COO){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	111.6260	0.000	1	111.6260	0.000	1	111.6844	0.115	5	111.6844	0.115	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:3:1:	3:2:1:	C[5]-4:N[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(COO)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(COO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>,2|H<1>}	111.7130	0.000	1	111.7130	0.000	1	111.6844	0.115	5	111.6844	0.115	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:3:1:	3:2:1:	C[5]-4:N[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(COO)	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H)	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(COO){1|F<1>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|F<1>,2|H<1>}	111.9550	0.221	2	111.9550	0.049	2	111.6844	0.115	5	111.6844	0.115	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)(H)	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CCH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){1|C<3>,3|H<1>}	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:3:1:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]C)(H)	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>}	105.7430	0.000	1	105.7430	0.000	1	105.7430	0.000	1	105.7430	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:3:2:	4:3:4:	C[5]-4:N[5]-3:C-3:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CHH)	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CHH){1|C<4>,2|F<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(SC[6a]OO){1|O<2>,2|F<1>,3|C<3>}	107.2780	0.000	1	107.2780	0.000	1	107.2780	0.000	1	107.2780	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:4:4:	3:4:4:	C[5]-4:C[6]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[5]CC)(C[6]C[6]2)(N[5]C[5]C)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCCH)	C[5](C[5]C[5]CC)(C[6]C[6]2)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	N[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:4:4:	4:3:4:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH)	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{2|N<3>,3|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH){2|C<4>,2|H<1>,2|N<3>}	111.9560	3.239	3	111.9560	10.491	3	111.9560	10.491	3	111.9560	10.491	3	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	3:2:1:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]HH)(N[5]O[5]O)(COO)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(N[5]O[5]O)(COO){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(H)2{1|O<1>,2|C<3>}	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|H<1>}	111.9340	0.000	1	111.9340	0.000	1	111.7095	0.101	2	111.7095	0.101	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	3:2:1:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]HH)(N[5]O[5]O)(COO)	C[5](C[5]N[5]O[5]H)(C[5]N[5]C)(H)2	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(N[5]O[5]O)(COO){1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5]C)(O[5]C[5])(O){1|N<3>,3|H<1>}	111.4850	0.000	1	111.4850	0.000	1	111.7095	0.101	2	111.7095	0.101	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCH)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]C)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCH){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]C)2(H){4|H<1>}	107.6065	0.284	2	107.6065	0.080	2	107.7439	0.934	7	107.7439	0.934	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){4|H<1>}	106.0710	0.000	1	106.0710	0.000	1	107.7439	0.934	7	107.7439	0.934	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]Cl)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]Cl){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){4|H<1>}	107.5800	0.208	2	107.5800	0.043	2	107.7439	0.934	7	107.7439	0.934	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CClC)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CClC){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(H){4|H<1>}	108.8815	0.032	2	108.8815	0.001	2	107.7439	0.934	7	107.7439	0.934	7	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	108.4070	0.000	1	108.4070	0.000	1	107.7375	0.896	2	107.2647	0.608	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]C)(C[5]C[5]O)(CCHH){4|H<1>}	107.0680	0.000	1	107.0680	0.000	1	107.7375	0.896	2	107.2647	0.608	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:S-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHH)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]C)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|O<1>,1|S<4>}	N[5](C[5]C[5]C)(C[5]C[5]O)(SC[6a]OO){4|H<1>}	106.7920	0.180	2	106.7920	0.032	2	106.7920	0.032	2	107.2647	0.608	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[6a]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]O)	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]N[5])(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[6a]N[5])(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	108.7717	1.102	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCC)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCC){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]C)(H){4|H<1>}	109.3120	0.000	1	109.3120	0.000	1	108.7717	0.319	3	108.7717	1.102	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCH)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(H){4|H<1>}	108.5015	0.448	2	108.5015	0.200	2	108.7717	0.319	3	108.7717	1.102	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:N-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(NPdC)	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]N)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(NPdC){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(H)2{1|H<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]N)(H){4|H<1>}	108.2005	0.426	4	108.2005	0.182	4	108.2005	0.182	4	108.7717	1.102	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(CHS)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]C)(COO)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(CHS){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(H)2{2|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]C)(COO){3|C<3>,3|H<1>}	106.6130	0.000	1	106.6130	0.000	1	106.6130	0.000	1	107.2092	0.255	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){4|H<1>}	107.3582	0.438	4	107.3582	0.192	4	107.3582	0.192	4	107.2092	0.255	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCH)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]C)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCH){2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]C)(H)2{1|S<4>,2|C<4>,6|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5]C)(SC[6a]OO){2|C<4>,2|H<1>}	106.0170	0.000	1	106.0170	0.000	1	106.0170	0.000	1	108.4346	2.363	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCC)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCC){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{3|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){4|H<1>}	106.9880	0.000	1	106.9880	0.000	1	108.7800	1.643	7	108.4346	2.363	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH){4|H<1>}	108.1460	0.000	1	108.1460	0.000	1	108.7800	1.643	7	108.4346	2.363	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]C)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]C){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH){4|H<1>}	109.0455	0.334	2	109.0455	0.112	2	108.7800	1.643	7	108.4346	2.363	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]C){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH){4|H<1>}	108.3510	0.000	1	108.3510	0.000	1	108.7800	1.643	7	108.4346	2.363	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]C){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){4|H<1>}	108.6950	0.000	1	108.6950	0.000	1	108.7800	1.643	7	108.4346	2.363	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){4|H<1>}	111.1890	0.000	1	111.1890	0.000	1	108.7800	1.643	7	108.4346	2.363	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:2:1:	3:3:3:	C[5]-4:N[5]-3:C-3:	C[6]-4:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6]O[5]H)(N[5]C[6a]C[5])(CHH)	C[5](C[6]C[6]2H)(C[5]N[5]C)(O[5]C[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]C[6]O[5]H)(N[5]C[6a]C[5])(CHH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[6]C[6]2H)(C[5]N[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	104.1740	0.000	1	104.1740	0.000	1	104.1740	0.000	1	104.1740	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:3:1:	2:3:1:	C[5]-4:N[5]-3:C-3:	C[5,5]-4:C[6a]-3:C[5]-3:H-1:	O[5]-2:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a]H)(N[5]O[5]O)(COO)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]C)(H)	N[5](O[5]C[5,5])(C[5]C[5]C)(O)	C[5](C[5]C[5,5]C[6a]H)(N[5]O[5]O)(COO){4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]N[5]C)(H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	N[5](O[5]C[5,5])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	111.3545	0.937	2	111.3545	0.878	2	111.3545	0.878	2	111.3545	0.878	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:3:1:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]S)(CHH)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]S)(CHH){2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	106.8650	0.000	1	106.8650	0.000	1	106.8650	0.000	1	106.8650	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:3:3:	4:3:4:	C[5]-4:N[5]-3:N-3:	C[5]-4:C[5]-3:C-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(N[5]C[5]C)(NCH)	C[5](C[5]C[5]HH)(C[5]N[5]N)(COO)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCCH)	C[5](C[5]C[5]CC)(N[5]C[5]C)(NCH){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]N)(COO)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCCH){2|H<1>,4|C<3>}	110.0495	0.626	6	110.0495	0.392	6	110.0495	0.392	6	110.0495	0.392	6	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:3:4:	4:3:4:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:C[5]-3:S-4:	C[5](C[5]C[5]CC)(N[5]C[5]S)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]O)(CCHH)	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[5]CC)(N[5]C[5]S)(CC[6a]H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]O)(CCHH){1|S<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]C)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	107.1610	0.000	1	107.1610	0.000	1	107.1610	0.000	1	107.1610	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:4:1:	3:2:1:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(N[5]O[5]O)(CC[6a]C)	C[5](C[5]O[5]CH)(C[5]N[5]C)(CH3)(H)	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(N[5]O[5]O)(CC[6a]C){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(C[5]N[5]C)(CH3)(H){1|O<1>}	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	110.1040	0.000	1	110.1040	0.000	1	110.1040	0.000	1	110.1040	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:4:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CH)(N[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CF3)(H)	N[5](C[5]C[5]CC)(C[5]C[5]C)(CCO)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CC[6a]H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(CF3)(H){3|C<3>}	N[5](C[5]C[5]CC)(C[5]C[5]C)(CCO){1|C<4>,3|H<1>}	106.5750	0.000	1	106.5750	0.000	1	106.5750	0.000	1	106.5750	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:4:4:	4:3:1:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CC)(N[5]C[5]O)(COO)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CF3)(CH3)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O)	C[5](C[5]C[5]CC)(N[5]C[5]O)(COO){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(CF3)(CH3){1|C<3>,1|H<1>,1|O<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O){1|H<1>,2|C<4>,3|C<3>}	112.2177	0.832	4	112.2177	0.693	4	112.2177	0.693	4	112.0830	0.610	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:4:4:	4:3:1:	C[5]-4:N[5]-3:P-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CC)(N[5]C[5]O)(PC[6a]2)	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	N[5](C[5]C[5]CC)(C[5]C[5]P)(O)	C[5](C[5]C[5]CC)(N[5]C[5]O)(PC[6a]2){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]P)(O){2|C<4>,2|H<1>}	111.5440	0.000	1	111.5440	0.000	1	111.5440	0.000	1	112.0830	0.610	5	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	3:2:4:1:	3:3:4:	C[5]-4:N[5]-3:C-4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-3:C[5]-3:S-4:	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H)	N[5](C[5]C[5]C)(C[5]O[5]O)(SC[6a]OO)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH){1|O<1>}	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	N[5](C[5]C[5]C)(C[5]O[5]O)(SC[6a]OO){1|C<4>,1|H<1>}	100.6600	0.000	1	100.6600	0.000	1	100.6600	0.000	1	100.6600	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:B-4:	C[5](C[5]C[5]HH)(N[5]N[5]B)(CH3)	C[5](C[5]N[5]C)2(H)2	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2H)	C[5](C[5]C[5]HH)(N[5]N[5]B)(CH3){1|C<4>,1|W<6>}	C[5](C[5]N[5]C)2(H)2{1|B<4>,1|W<6>}	N[5](C[5]C[5]C)(N[5]C[5]W)(BN[5]2H){1|C<4>,2|H<1>}	105.4150	0.000	1	105.4150	0.000	1	105.4150	0.000	1	105.4150	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:H-1:	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3){1|C<3>,1|O<3>}	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(H){1|O<3>,2|C<3>,2|C<4>}	103.1030	0.000	1	103.1030	0.000	1	103.1030	0.000	1	101.5595	4.765	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	3:3:4:4:	3:3:1:	C[5]-4:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:C[5]-3:O-1:	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(O)	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2{1|C<3>,1|O<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C)(O){1|O<1>,2|C<3>,2|C<4>}	100.0160	0.000	1	100.0160	0.000	1	100.0160	0.000	1	101.5595	4.765	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	110.8808	0.577	4	110.8808	0.333	4	110.7968	0.160	8	110.7968	0.160	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	110.8070	0.133	2	110.8070	0.018	2	110.7968	0.160	8	110.7968	0.160	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	3:3:4:4:	3:3:4:	C[5]-4:N[5]-3:C-4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	110.6185	0.090	2	110.6185	0.008	2	110.7968	0.160	8	110.7968	0.160	8	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	3:4:3:1:	3:2:1:	C[5]-4:N[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CCHO)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H)	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CCHO){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]N[5]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]C)(O[5]C[5])(O){1|H<1>,3|C<3>}	113.2300	0.000	1	113.2300	0.000	1	112.2500	1.921	2	112.2500	1.921	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	3:4:3:1:	3:2:1:	C[5]-4:N[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CHHO)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H)	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CHHO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>,2|H<1>}	111.2700	0.000	1	111.2700	0.000	1	112.2500	1.921	2	112.2500	1.921	2	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	3:4:3:4:	3:4:3:	C[5]-4:N[5]-3:B-4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]C)(N[5]C[6a]C[5])(BF3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)(CH3)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](C[5]C[6a]C[5]C)(N[5]C[6a]C[5])(BF3){2|C<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)(CH3){2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|H<1>,3|C<3>,3|C<4>}	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	3:4:4:4:	3:3:4:	B[5]-4:N[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-3:C[6a]-3:C[5]-4:	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]CC){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,3|C<3>,3|H<1>,4|C<4>}	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	Ge[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(N[5]Ge[5]N)(CH3)	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2	N[5](Ge[5]C[5]Te2)(C[5]C[5]C)(NHH)	C[5](C[5]C[5]HH)(N[5]Ge[5]N)(CH3){1|Te<1>,1|Te<2>,2|C<4>}	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2{1|Te<1>,1|Te<2>,1|N<3>}	N[5](Ge[5]C[5]Te2)(C[5]C[5]C)(NHH){2|C<4>,2|H<1>}	115.0740	2.343	2	114.8988	5.079	4	114.8988	5.079	4	114.8988	5.079	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:H-1:	Ge[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(N[5]Ge[5]N)(CH3)	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2	N[5](Ge[5]C[5]Te2)(C[5]C[5]C)(NHH)	C[5](C[5]C[5]HH)(N[5]Ge[5]N)(CH3){2|Te<1>,2|C<4>}	C[5](C[5]Ge[5]CC)(C[5]N[5]C)(H)2{2|Te<1>,1|N<3>}	N[5](Ge[5]C[5]Te2)(C[5]C[5]C)(NHH){2|C<4>,2|H<1>}	114.7235	3.102	2	114.8988	5.079	4	114.8988	5.079	4	114.8988	5.079	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	4:3:4:1:	3:2:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]CH)(N[5]O[5]O)(CCHH)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H)	N[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(N[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H){1|O<1>,2|C<3>}	N[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	110.3840	0.538	4	110.3840	0.289	4	110.3840	0.289	4	110.3840	0.289	4	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	4:3:4:1:	4:3:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H)	N[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH){1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H){1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]C)(O){2|C<4>,2|H<1>}	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1	111.2070	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:3:4:	4:3:4:4:	4:3:1:	C[5]-4:N[5]-3:S-4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CC)(N[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2	N[5](C[5]C[5]CC)(C[5]C[5]S)(O)	C[5](C[5]C[5]CC)(N[5]C[5]O)(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2{1|O<1>,2|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]S)(O){2|C<4>,2|H<1>}	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP2_SP3	C[5]	C[5]	N[5]	4:4:3:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-4:N[5]-3:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(N[5]C[5]O)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]2)(O)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5]HH)(N[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,6|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	112.1280	0.000	1	112.1280	0.000	1	112.1280	0.000	1	112.1280	0.000	1	108.2548	2.797	2850	108.2123	2.349	5912
818	474	542	5:SP2_SP3_SP3	C[5,5]	C[5,5]	N[5]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,5]-3:C[5]-3:C-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(N[5]C[5]C)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5,6]HH)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5])(C[5]N[5]N)(COO)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(N[5]C[5]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]N[5])(C[5]C[5,6]HH)(N[5]C[5]C)(H){1|N<2>,4|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[5]N[5]N)(COO){1|C<3>,1|H<1>,3|C<4>}	107.7320	0.000	1	107.7320	0.000	1	107.7320	0.000	1	107.7320	0.000	1	107.7320	0.000	1	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5,5]	C[5]	N[3x5]	3:4:3:	3:4:1:1:	4:4:3:	N[3x5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-3:	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]HH)(H)2	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,5]N[3x5]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2){1|Br<1>,1|O<1>,6|H<1>}	108.2730	0.000	1	108.2730	0.000	1	108.2730	0.000	1	108.2730	0.000	1	108.2730	0.000	1	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5,5]	C[5]	N[5,5]	3:3:4:	3:4:1:1:	4:3:4:	C[5,6]-3:N[5,5]-3:C[5]-4:	C[5,5]-3:C[5,5]-4:H-1:H-1:	C[5,5]-4:C[5,5]-3:Si[5]-4:	C[5,5](C[5,6]C[4,6]N[5,6])(N[5,5]C[5,5]Si[5])(C[5]C[5,5]HH)	C[5](C[5,5]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,6]C[5])(Si[5]N[5,6]CC)	C[5,5](C[5,6]C[4,6]N[5,6])(N[5,5]C[5,5]Si[5])(C[5]C[5,5]HH){1|Si<4>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,6]C[5])(Si[5]N[5,6]CC){2|C<3>,2|C<4>,5|H<1>}	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5,6,6]	C[5,5,6]	N[5,6]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6a]-3:C[5]-4:	C[5,6,6]-3:C[5,6a]-3:C[6]-3:	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6])	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	N[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]C[6]){1|N<3>,1|O<1>,2|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	3:4:3:4:	3:4:4:	C[5,5,6]-4:C[6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5]-4:S-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]S)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	106.7150	0.000	1	106.7150	0.000	1	106.7150	0.000	1	106.7150	0.000	1	107.1862	0.609	5	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[3,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[3,6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	106.3640	0.000	1	106.3640	0.000	1	107.3040	0.720	4	107.3040	0.720	4	107.1862	0.609	5	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]C){1|N<3>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HS){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	107.0830	0.000	1	107.0830	0.000	1	107.3040	0.720	4	107.3040	0.720	4	107.1862	0.609	5	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	107.3590	0.000	1	107.8845	0.552	2	107.3040	0.720	4	107.3040	0.720	4	107.1862	0.609	5	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5,6]	C[5,5,6]	N[5]	4:3:3:	4:3:3:4:	3:3:1:	C[5,5,6]-4:N[5]-3:C[6]-3:	C[5,6,6]-4:C[5,6a]-3:C[5,6]-3:C[5]-4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,4|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	108.4100	0.000	1	107.8845	0.552	2	107.3040	0.720	4	107.3040	0.720	4	107.1862	0.609	5	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5,6]	C[5,6,6]	N[5]	4:3:3:	4:4:3:1:	3:4:4:	C[5,6,6]-4:C[6]-3:N[5]-3:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5]-4:S-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]H)(N[5]C[5]S)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	N[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(SC[6a]OO)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]H)(N[5]C[5]S){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,7|H<1>}	N[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,2|C<4>,3|H<1>}	106.9780	0.000	1	106.9780	0.000	1	107.0208	0.032	5	107.0208	0.032	5	107.0208	0.032	5	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5,6]	C[5,6,6]	N[5]	4:3:3:	4:4:3:1:	3:4:4:	C[5,6,6]-4:C[6]-3:N[5]-3:	C[6,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-3:C[5]-4:S-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(N[5]C[5]S)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H)	N[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(SC[6a]OO)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(H){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	N[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,2|C<4>,3|H<1>}	107.0315	0.203	4	107.0315	0.041	4	107.0208	0.032	5	107.0208	0.032	5	107.0208	0.032	5	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5,6]	C[5]	N[5,6]	3:3:4:	3:4:4:1:	4:3:4:	N[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-3:C[5]-4:S-4:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,5]CH)(SC[6a]OO)(H)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS){2|C<4>,4|C<3>,6|H<1>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,5]CH)(SC[6a]OO)(H){2|C<3>,3|C<4>}	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|S<4>,3|C<3>,3|C<4>,4|H<1>}	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,5,6]	N[5,5]	4:3:1:	4:4:3:1:	3:3:4:	C[5,5,6]-4:N[5,5]-3:O-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-3:C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(N[5,5]N[5,5]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H)	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5]C[5,5,6]O)(C[5]C[5,5]HH)	C[5](C[5,5,6]C[5,5,6]2H)(N[5,5]N[5,5]C[5])(O){4|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5,5]O)(H){3|C<4>,5|H<1>}	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5]C[5,5,6]O)(C[5]C[5,5]HH){4|C<4>,4|H<1>}	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	107.4880	0.283	2	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,5,6]	N[5,5]	4:3:1:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5,5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,5]C[5,5]C[5])(O)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H)	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,5]C[5,5]C[5])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[5]N[5,5]O)(H){3|C<4>,4|H<1>}	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH){1|O<2>,2|C<4>,5|H<1>}	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	107.4880	0.283	2	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,5,6]	N[5]	4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:N[5]-3:O-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5,5,6]H)(O)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5,5,6]H)(O){3|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]N[5]O)(H){1|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)(H){1|C<3>,3|C<4>,3|H<1>}	107.4330	0.000	1	107.4330	0.000	1	107.4330	0.000	1	107.4330	0.000	1	107.4330	0.000	1	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,5]	N[5,5]	4:3:1:	3:3:3:4:	4:3:3:	C[5,5]-4:N[5,5]-3:O-1:	C[5,5]-3:C[5]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(N[5,5]C[5,6a]C[5,5])(O)	C[5,5](C[5,5]C[5,5]N[5])(C[5]N[5,5]O)(C[6a]C[6a]2)(C[5]C[5]HH)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[6a]C[5])(N[5,5]C[5,6a]C[5,5])(O){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]N[5])(C[5]N[5,5]O)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<2>,2|F<1>,5|C<3>}	106.3030	0.314	2	106.3030	0.099	2	106.3030	0.099	2	106.3030	0.099	2	106.3030	0.099	2	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,5]	N[5]	3:4:1:	3:3:3:3:	3:3:3:	N[5]-3:C[5,5]-4:O-1:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C)	C[5](N[5]C[6a]N[5])(C[5,5]C[5]3)(O){1|C<4>,7|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){1|C<4>,7|C<3>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C){2|H<1>,5|C<3>}	107.5000	0.000	1	107.5000	0.000	1	107.5000	0.000	1	107.5000	0.000	1	107.7698	2.500	12	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:1:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H){1|O<1>,6|C<3>,6|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.1340	0.000	1	108.1340	0.000	1	108.1340	0.000	1	108.1340	0.000	1	107.7698	2.500	12	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	107.7698	2.500	12	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:3:3:3:	3:4:2:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:C[5]-3:	C[5]-3:S-4:N[5]-2:	C[5](C[5,5]C[5]3)(N[5]N[5]S)(O)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O)	N[5](C[5]C[5,5]O)(SC[6a]OO)(N[5]C[5])	C[5](C[5,5]C[5]3)(N[5]N[5]S)(O){1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]N[5]C)(C[5]N[5]O){1|S<4>,4|H<1>}	N[5](C[5]C[5,5]O)(SC[6a]OO)(N[5]C[5]){1|C<3>,2|C<4>}	103.5600	0.000	1	103.5600	0.000	1	103.5600	0.000	1	103.5600	0.000	1	107.7698	2.500	12	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O)	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)2	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O){1|O<1>,3|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)2{2|C<4>,4|H<1>}	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	108.4000	0.000	1	108.4000	0.000	1	108.4685	0.009	2	108.4685	0.009	2	107.7698	2.500	12	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,5]	N[5]	4:3:1:	4:4:3:3:	3:3:4:	C[5,5]-4:N[5]-3:O-1:	C[5]-4:C[5]-4:C[5]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O)	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)2	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CC[6a]HH)	C[5](C[5,5]C[5]3)(N[5]N[5]C)(O){1|O<1>,3|C<4>,4|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]O)2{2|C<4>,4|H<1>}	N[5](C[5]C[5,5]O)(N[5]C[5]C)(CC[6a]HH){1|O<1>,2|C<4>}	108.5370	0.000	1	108.5370	0.000	1	108.4685	0.009	2	108.4685	0.009	2	107.7698	2.500	12	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,5]	N[5]	4:3:2:	4:3:3:3:	4:3:4:	C[5,5]-4:N[5]-3:N-2:	C[5,5]-4:C[5]-3:C[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NC)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]N)(C[5]O[5]O)(COO)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]N)(CCCH)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(NC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]N)(C[5]O[5]O)(COO){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]N)(CCCH){1|C<4>,1|H<1>,4|C<3>}	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	107.7698	2.500	12	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,5]	N[5]	4:3:3:	3:3:2:2:	3:3:4:	C[5,5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CC[5]HH)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,3|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O[5]C[5])2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CC[5]HH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	107.7698	2.500	12	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,5]	N[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:C-3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]3)(N[5]N[5]C)(CHH)	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5]3)(N[5]N[5]C)(CHH){1|O<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5])2(C[5]N[5]C)(C[5]N[5]O){1|C<4>,7|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5,5]C)(CH3){1|O<1>,4|C<3>}	108.8885	0.689	2	108.8885	0.475	2	108.8885	0.475	2	108.8885	0.475	2	107.7698	2.500	12	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,5]	N[5]	4:3:3:	4:3:3:1:	3:3:2:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CC[6a]I)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(C[5]N[5]O)(H)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[5]C)(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|O<1>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5]){4|C<3>,4|H<1>}	108.6570	0.387	2	108.6570	0.150	2	108.6570	0.150	2	108.6570	0.150	2	107.7698	2.500	12	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,6,6]	N[5]	4:3:1:	4:4:3:3:	3:3:1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5,6a])(N[5]C[5,6a]H)(O)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6a]O[5,6])(C[5,6,6]C[5,6]O[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5,6a])(N[5]C[5,6a]H)(O){2|C<4>,2|O<2>,4|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6a]O[5,6])(C[5,6,6]C[5,6]O[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O){2|C<4>,5|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	108.3310	0.000	1	108.3310	0.000	1	108.3310	0.000	1	108.3310	0.000	1	108.3310	0.000	1	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,6]	N[5,5]	3:4:1:	4:3:4:1:	4:3:3:	N[5,5]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]N[5,5]O)(C[6]C[6]HH)(H)	N[5,5](C[5,5]C[5,6]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]H)(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]N[5,5]O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O){2|C<4>,4|C<3>,4|H<1>}	107.1290	0.000	1	107.1290	0.000	1	107.1290	0.000	1	107.1290	0.000	1	109.2560	2.022	4	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,6]	N[5,5]	4:3:1:	4:4:3:3:	4:3:4:	C[5,6]-4:N[5,5]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH)	C[5](C[5,6]C[5,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH){1|O<1>,2|C<4>,2|H<1>}	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	109.9650	0.017	3	109.2560	2.022	4	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,6]	N[5,5]	4:3:1:	4:4:3:3:	4:3:4:	C[5,6]-4:N[5,5]-3:O-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH)	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH){1|O<1>,2|C<4>,2|H<1>}	110.1160	0.000	1	110.0085	0.023	2	110.0085	0.023	2	109.9650	0.017	3	109.2560	2.022	4	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,6]	N[5,5]	4:3:1:	4:4:3:3:	4:3:4:	C[5,6]-4:N[5,5]-3:O-1:	C[6,6]-4:C[6]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O)	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH)	C[5](C[5,6]C[6,6]C[5]C[6])(N[5,5]C[5,5]C[5])(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,5]O)(C[5]N[5,5]O){2|H<1>,3|C<3>,4|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH){1|O<1>,2|C<4>,2|H<1>}	109.9010	0.000	1	110.0085	0.023	2	110.0085	0.023	2	109.9650	0.017	3	109.2560	2.022	4	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,6]	N[5]	4:3:1:	4:3:3:4:	4:3:3:	C[5,6]-4:N[5]-3:O-1:	C[5,6]-4:N[6]-3:C[5]-3:C-4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]N[6]C)(N[5]C[5,6]C[6a])(O)	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3)	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]N[6]C)(N[5]C[5,6]C[6a])(O){3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3){4|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	107.0733	0.424	3	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,6]	N[5]	4:3:2:	3:3:4:3:	3:3:4:	C[5,6]-4:N[5]-3:N-2:	N[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]N[5,6]C[6a]C[6])(N[5]C[5]C)(NH)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]N)	N[5](C[5]C[5,6]N)(C[5]N[5,6]O)(CCHH)	C[5](C[5,6]N[5,6]C[6a]C[6])(N[5]C[5]C)(NH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]N){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	N[5](C[5]C[5,6]N)(C[5]N[5,6]O)(CCHH){1|C<3>,2|C<4>}	106.3340	0.000	1	106.3340	0.000	1	106.3340	0.000	1	106.3340	0.000	1	107.0733	0.424	3	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5,6]	N[5]	4:3:3:	3:4:4:3:	3:4:4:	C[5,6]-4:N[5]-3:C-3:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5]-3:C[5]-4:S-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)	N[5](C[5]C[5,6]C)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C){1|S<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6]C)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	107.0733	0.424	3	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	3:2:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-3:O[5]-2:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[3x5]C[5])(C[5]O[5]HH)(O)	C[5](C[5]N[5,5]O)(O[5]C[3x5])(H)2	N[5,5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5,5]HH)(C[5]C[5]O)	C[5](N[5,5]C[3x5]C[5])(C[5]O[5]HH)(O){2|H<1>,3|C<4>}	C[5](C[5]N[5,5]O)(O[5]C[3x5])(H)2{3|C<4>}	N[5,5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5,5]HH)(C[5]C[5]O){1|C<4>,1|S<4>,2|O<2>,5|H<1>}	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	3:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-3:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]CC)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|O<1>,1|O<2>,4|C<4>}	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(H)2{1|O<2>,2|C<4>}	N[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]CC)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	3:3:4:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CCCH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.5660	0.000	1	107.5660	0.000	1	107.5660	0.000	1	106.9740	0.701	2	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	3:3:4:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	N[5]-3:C[5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O)	C[5](N[5]C[5,5]C[6])(C[5]N[5,5]O)(CH3)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5,5]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	106.3820	0.000	1	106.3820	0.000	1	106.3820	0.000	1	106.9740	0.701	2	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	3:3:4:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CCCH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.1070	0.000	1	108.1070	0.000	1	107.5750	0.566	2	107.5750	0.566	2	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	3:3:4:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CC[6a]HH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|F<1>,2|C<4>,2|H<1>,3|C<3>}	107.0430	0.000	1	107.0430	0.000	1	107.5750	0.566	2	107.5750	0.566	2	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	3:3:4:4:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	107.1990	0.000	1	107.1990	0.000	1	108.1050	1.642	2	108.1050	1.642	2	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	3:3:4:4:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O)	C[5](C[5]N[5,5]O)(N[5]C[5,5]S)(CH3)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5](C[5]N[5,5]O)(N[5]C[5,5]S)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O){1|H<1>,1|O<2>,1|S<4>,2|C<3>,3|C<4>}	109.0110	0.000	1	109.0110	0.000	1	108.1050	1.642	2	108.1050	1.642	2	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,5,6]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]HH)(O)	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	106.4270	0.000	1	106.4270	0.000	1	106.4640	0.003	2	106.7708	0.311	6	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,5,6]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]HH)(O)	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]H)(C[5]C[5]O)	C[5](N[5,5]N[5,5,6]C[5])(C[5]C[5,6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	106.5010	0.000	1	106.5010	0.000	1	106.4640	0.003	2	106.7708	0.311	6	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5,5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O){4|H<1>,5|C<3>}	105.9550	0.000	1	105.9550	0.000	1	105.9550	0.000	1	106.7708	0.311	6	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|C<4>,3|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,6|H<1>}	107.1960	0.055	2	107.1960	0.003	2	107.2473	0.009	3	106.7708	0.311	6	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,7|H<1>}	107.3500	0.000	1	107.3500	0.000	1	107.2473	0.009	3	106.7708	0.311	6	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5](N[5,5]C[5,6a]C[3x5])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]C[5,5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,5|H<1>}	107.4270	0.000	1	107.4270	0.000	1	107.4270	0.000	1	107.5943	0.078	4	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){2|H<1>,4|C<4>}	C[5](C[5]N[5,5]CC)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	107.2960	0.000	1	107.2960	0.000	1	107.6500	0.098	3	107.5943	0.078	4	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	3:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	107.8270	0.086	2	107.8270	0.007	2	107.6500	0.098	3	107.5943	0.078	4	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5]-4:N[5,5,6]-3:C[5]-3:	C[5](N[5,5]N[5,5,6]C[5,5])(C[5]C[5,6]HH)(O)	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5,6]C[5,6]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5,6]C[5,5])(C[5]C[5,6]HH)(O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]N[5,5,6]C[6]H)(C[5]N[5,5]O)(H)2{2|H<1>,3|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5,6]C[5,6]2)(C[5]C[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	107.0050	0.000	1	107.0050	0.000	1	107.0050	0.000	1	106.8322	0.135	6	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(O){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|N<3>,2|C<3>}	N[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){4|C<3>,6|H<1>}	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	106.8322	0.135	6	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(O){3|C<4>,3|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,8|H<1>}	106.6720	0.000	1	106.6720	0.000	1	106.9155	0.119	2	106.8322	0.135	6	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5,6a]C[5]N[5])(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](C[5,5]C[5,6a]C[5]N[5])(N[5,5]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	107.1590	0.000	1	107.1590	0.000	1	106.9155	0.119	2	106.8322	0.135	6	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	107.1750	0.000	1	107.1750	0.000	1	106.6905	0.469	2	106.8322	0.135	6	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{2|C<4>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	106.2060	0.000	1	106.2060	0.000	1	106.6905	0.469	2	106.8322	0.135	6	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5,3x6]HH)(O)	C[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5,3x6]HH)(O){3|H<1>,4|C<4>}	C[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5]N[5,5]O)(H)2{4|C<4>,5|H<1>}	N[5,5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	107.3010	0.000	1	107.3010	0.000	1	107.3010	0.000	1	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5,5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]HH)(O)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]O)(H)2	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]N[5,5]O)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	107.3230	0.000	1	107.3230	0.000	1	107.3230	0.000	1	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2	N[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]O){1|C<3>,2|C<4>,6|H<1>}	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:Cl-1:Cl-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]Cl2)(O)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(Cl)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]Cl2)(O){3|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(Cl)2{1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){2|Cl<1>,1|C<4>,5|H<1>}	105.5580	0.000	2	105.5580	0.000	2	105.5580	0.000	2	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|C<4>,3|H<1>}	107.5315	0.120	2	107.5315	0.014	2	107.5846	0.355	15	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{2|C<4>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	107.0820	0.000	1	106.9405	0.040	2	107.5846	0.355	15	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{2|C<4>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,5|H<1>}	106.7990	0.000	1	106.9405	0.040	2	107.5846	0.355	15	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{2|C<4>,3|C<3>}	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|C<3>,2|O<1>,5|H<1>}	107.6900	0.000	1	107.6900	0.000	1	107.5846	0.355	15	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,7|H<1>}	107.1215	0.969	2	107.1215	0.940	2	107.5846	0.355	15	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]O){2|O<2>,6|H<1>}	107.8870	0.000	1	107.8870	0.000	1	107.5846	0.355	15	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|O<2>,2|C<4>}	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,6|H<1>}	107.5960	0.000	1	107.5960	0.000	1	107.5846	0.355	15	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O){1|N<2>,3|C<3>,6|H<1>}	107.3155	0.569	2	107.3155	0.324	2	107.5846	0.355	15	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HN)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HN)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O){1|N<3>,7|H<1>}	107.5860	0.000	1	107.5860	0.000	1	107.5846	0.355	15	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(H)2{1|C<3>,2|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|O<2>,5|H<1>}	108.3973	0.286	3	108.3973	0.082	3	107.5846	0.355	15	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:S[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(S[5]C[5,6a]OO)(C[5]C[5]O)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]HH)(O){1|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(H)2{1|S<4>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(S[5]C[5,6a]OO)(C[5]C[5]O){3|H<1>,5|C<3>}	106.0800	0.000	1	106.0800	0.000	1	106.0800	0.000	1	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2	N[5,5](C[5]C[6a]O[5]C)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	N[5,5](C[5]C[6a]O[5]C)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	105.2000	0.000	1	105.2000	0.000	1	105.2000	0.000	1	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5,5]-4:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O)	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]N[5,5]HH)(C[5]N[5,5]O)(H)2{1|H<1>,2|C<4>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2H)(C[5]C[5]O){3|C<3>,5|H<1>}	107.5630	0.000	1	107.5630	0.000	1	107.5630	0.000	1	107.2283	0.839	23	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:2:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(OH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(O){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(OH)(H){1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){3|O<2>,5|H<1>}	107.2250	0.000	1	107.2250	0.000	1	107.2250	0.000	1	107.5265	0.182	2	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:2:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:S-2:H-1:	C[5]-4:C[5,5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HS)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(SC[6a])(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HS)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(SC[6a])(H){1|H<1>,2|C<4>}	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|S<2>,2|C<3>,5|H<1>}	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	107.5265	0.182	2	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O)	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(NCH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5]CH)(C[5]N[5,5]O)(NCH)(H){1|C<3>,1|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	105.5260	0.000	1	105.5260	0.000	1	106.4445	1.687	2	106.4445	1.687	2	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	3:3:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(NCH)(H){1|C<4>,3|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C){1|N<3>,2|C<3>,3|H<1>}	107.3630	0.000	1	107.3630	0.000	1	106.4445	1.687	2	106.4445	1.687	2	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-3:Br-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]BrC)(O)	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(Br)	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]BrC)(O){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(Br){1|C<3>,1|O<2>,2|C<4>}	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O){1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	106.2310	0.362	3	106.2310	0.131	3	106.2310	0.131	3	106.4301	0.138	7	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]C[6a]H)(O)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H)	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]C[6a]H)(O){3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]O)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	106.9790	0.000	1	106.9790	0.000	1	106.9790	0.000	1	106.4301	0.138	7	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(CC[6a]O)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(CC[6a]O)(H){1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){4|C<3>,4|H<1>}	106.3370	0.000	1	106.3370	0.000	1	106.3370	0.000	1	106.4301	0.138	7	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NCH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NCH)(H){1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O){1|I<1>,1|N<3>,6|H<1>}	106.2520	0.000	1	106.2520	0.000	1	106.5010	0.124	2	106.4301	0.138	7	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:N-3:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O)	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NHS)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(O){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HI)(C[5]N[5,5]O)(NHS)(H){1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O){1|I<1>,1|N<3>,6|H<1>}	106.7500	0.000	1	106.7500	0.000	1	106.5010	0.124	2	106.4301	0.138	7	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:3:2:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-3:O-2:	C[3x5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CO)(O)	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(OH)	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CO)(O){2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(OH){1|C<3>,1|O<2>,2|C<4>}	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|O<2>,4|H<1>}	107.2510	0.000	2	107.2510	0.000	2	107.2510	0.000	2	107.2510	0.000	2	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:4:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CH)(O)	C[5](C[5,5]C[3x5]C[5]O)(C[5]N[5,5]O)(CH3)(H)	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]O[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[5,5]C[3x5]C[5]O)(C[5]N[5,5]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	106.9100	0.000	1	106.9100	0.000	1	106.9100	0.000	1	107.5946	0.528	5	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:4:1:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H){1|C<3>,2|C<4>}	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>}	107.7657	0.713	4	107.7657	0.509	4	107.7657	0.509	4	107.5946	0.528	5	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:4:2:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C-4:O-2:	C[3x5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CO)(O)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH)	N[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]C[5,6]CC)(C[5]C[5]O)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CO)(O){3|O<2>,4|C<4>}	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH){1|O<2>,3|C<4>}	N[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]C[5,6]CC)(C[5]C[5]O){2|H<1>,3|C<4>,3|O<2>}	109.5990	0.000	1	109.5990	0.000	1	109.5990	0.000	1	108.2210	3.798	2	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:1:	4:3:4:2:	4:4:3:	N[5,5]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:C-4:O-2:	C[5,5]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CO)(O)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CO)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH){1|H<1>,2|C<3>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	106.8430	0.000	1	106.8430	0.000	1	106.8430	0.000	1	108.2210	3.798	2	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:2:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-4:N-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(NS){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]N)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:3:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCC)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2{1|C<4>,3|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,7|H<1>}	106.7480	0.000	1	106.7480	0.000	1	107.2087	0.159	3	107.2087	0.159	3	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	3:4:3:	4:3:1:1:	3:3:3:	N[5,5]-3:C[5]-4:C-3:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCO)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)(H)2{1|C<4>,3|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,6|H<1>}	107.4390	0.017	2	107.4390	0.000	2	107.2087	0.159	3	107.2087	0.159	3	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,5]	4:3:1:	3:4:3:4:	4:4:3:	C[5]-4:N[5,5]-3:O-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5](C[5]C[5a]C[5]C)(N[5,5]C[5,5]2)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HH)(C[5]N[5,5]O)(CH3)	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)	C[5](C[5]C[5a]C[5]C)(N[5,5]C[5,5]2)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HH)(C[5]N[5,5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O){2|C<4>,3|C<3>,3|H<1>}	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	107.2340	0.763	72	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,6,6]	3:4:1:	4:3:1:1:	4:2:3:	N[5,6,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[5](N[5,6,6]C[5,3x6]O[6,6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]O)(H)2	N[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(O[6,6]C[3x6])(C[5]C[5]O)	C[5](N[5,6,6]C[5,3x6]O[6,6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]O)(H)2{1|O<2>,2|C<3>}	N[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(O[6,6]C[3x6])(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	105.9110	0.000	1	105.9110	0.000	1	105.9110	0.000	1	105.9110	0.000	1	105.9110	0.000	1	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,6]CH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	107.0770	0.000	1	107.0770	0.000	1	106.8743	0.033	3	106.8743	0.033	3	108.1991	0.568	16	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]N[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	106.8180	0.000	1	106.7730	0.004	2	106.8743	0.033	3	106.8743	0.033	3	108.1991	0.568	16	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]N[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	106.7280	0.000	1	106.7730	0.004	2	106.8743	0.033	3	106.8743	0.033	3	108.1991	0.568	16	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	108.1991	0.568	16	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:3:3:	N[5,6]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]N[5,6]O)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]C[5,5]HH)(O){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6a]H)(C[5]N[5,6]O)(H)2{1|H<1>,1|N<3>,3|C<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){4|H<1>,5|C<3>}	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	108.1991	0.568	16	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,3x6]-4:C[5]-3:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,3x6]HH)(O)	C[5](C[5,3x6]C[5,3x6]C[6,6]O[6,6])(C[5]N[5,6]O)(H)2	N[5,6](C[5,3x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,3x6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,3x6]C[5,3x6]C[6,6]O[6,6])(C[5]N[5,6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5,6](C[5,3x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	108.7050	0.041	6	108.7050	0.002	6	108.7050	0.002	6	108.6673	0.046	10	108.1991	0.568	16	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	108.6673	0.046	10	108.1991	0.568	16	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(O){3|H<1>,4|C<4>}	C[5](C[5]C[5,6,6]HH)(C[5]N[5,6]O)(H)2{3|C<4>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O){3|C<4>,9|H<1>}	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	108.6673	0.046	10	108.1991	0.568	16	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|N<3>,2|C<4>}	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	108.6570	0.000	1	108.6570	0.000	1	108.3935	0.139	2	108.6673	0.046	10	108.1991	0.568	16	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,6|H<1>}	108.1300	0.000	1	108.1300	0.000	1	108.3935	0.139	2	108.6673	0.046	10	108.1991	0.568	16	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5,6]	4:3:1:	4:3:3:3:	4:3:3:	C[5]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5]C[5,5]C[6a]C)(N[5,6]C[5,6]C[6])(O)	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]O)(C[6a]C[6a]2)(CC[6a]O)	N[5,6](C[5,6]C[5,5]C[6a]O[6])(C[5]C[5]O)(C[6]C[6]O)	C[5](C[5]C[5,5]C[6a]C)(N[5,6]C[5,6]C[6])(O){1|O<1>,1|O<2>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[5,6])(C[5]N[5,6]O)(C[6a]C[6a]2)(CC[6a]O){1|O<2>,2|H<1>,8|C<3>}	N[5,6](C[5,6]C[5,5]C[6a]O[6])(C[5]C[5]O)(C[6]C[6]O){8|C<3>}	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	108.1991	0.568	16	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	3:3:4:	3:4:4:4:	3:4:3:	N[5]-3:C[5]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]O[5])(C[5]C[5]CC){2|H<1>,3|C<3>,5|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]2){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	3:4:1:	2:3:4:4:	4:3:2:	N[5]-3:C[5]-4:O-1:	O[5]-2:C[5]-3:C-4:C-4:	C[5,5]-4:C[5]-3:O-2:	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(OC)	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O){1|C<3>,1|N<3>}	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|N<3>,1|O<2>}	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	106.2440	0.000	1	106.2440	0.000	1	106.2440	0.000	1	106.2440	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	3:4:1:	3:3:4:4:	3:4:3:	N[5]-3:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	105.8390	0.000	1	105.8390	0.000	1	105.8390	0.000	1	105.8390	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	3:4:3:	3:2:3:3:	4:3:3:	N[5]-3:C[5]-4:C-3:	C[5]-3:O[5]-2:C-3:C-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CC[6a]2)	C[5](C[5]N[5]C)(O[5]C[5])(COO)2	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CC[6a]2){1|H<1>,3|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(COO)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	103.5300	0.000	1	103.5300	0.000	1	103.5300	0.000	1	103.5300	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	3:4:3:	3:3:1:1:	3:3:3:	N[5]-3:C[5]-4:N-3:	C[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(NCC)	C[5](C[5]N[5]N)2(H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(NCC){1|N<3>,3|C<3>}	C[5](C[5]N[5]N)2(H)2{2|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]N){1|N<3>,4|C<3>,4|H<1>}	109.5790	0.184	2	109.5790	0.034	2	109.5790	0.034	2	109.5790	0.034	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	3:4:3:	3:3:3:1:	3:4:3:	N[5]-3:C[5]-4:C-3:	N[5]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CC[6a]2)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(COO)(H)	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CC[6a]2){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(COO)(H){1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C){3|H<1>,4|C<3>}	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:3:3:	4:3:3:	N[5]-3:C[5]-4:C-3:	C[5,6]-4:C[5]-3:C-3:C-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(CC[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(COO)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(CC[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(COO)2{1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	107.2310	0.314	2	107.2310	0.099	2	107.2310	0.099	2	107.2310	0.099	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	106.2223	0.389	3	106.2223	0.151	3	106.4373	0.286	4	106.4373	0.286	4	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	3:4:3:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:B-3:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C[5])	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	107.0820	0.000	1	107.0820	0.000	1	106.4373	0.286	4	106.4373	0.286	4	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:P-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2O)	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	107.4730	0.000	1	107.4730	0.000	1	107.4730	0.000	1	108.5808	0.748	5	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Si-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]CC)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]CC){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	108.2690	0.150	2	108.2690	0.022	2	108.8577	0.486	4	108.5808	0.748	5	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	3:4:4:	4:3:4:4:	3:4:3:	N[5]-3:C[5]-4:Si-4:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]HH)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	109.4465	0.224	2	109.4465	0.050	2	108.8577	0.486	4	108.5808	0.748	5	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-3:S[5]-2:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]S[5]HH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(S[5]C[5])(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(NCH)	C[5](C[5]S[5]HH)(N[5]C[5]N)(O){1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>}	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(NCH){2|C<3>,2|H<1>}	110.8100	0.000	1	110.8100	0.000	1	110.8100	0.000	1	110.8100	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	3:2:4:4:	4:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:O-2:	C[5](C[5]O[5]CC)(N[5]C[5]O)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)2	N[5](C[5]O[5]CH)(C[5]C[5]O)(OC)	C[5](C[5]O[5]CC)(N[5]C[5]O)(O){1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<2>}	N[5](C[5]O[5]CH)(C[5]C[5]O)(OC){2|C<4>}	105.1340	0.000	1	105.1340	0.000	1	105.1340	0.000	1	105.1340	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	4:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]N[5]HH)(N[5]C[5]O)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(OH)	C[5](C[5]N[5]HH)(N[5]C[5]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(OH){1|C<3>,1|N<2>,3|H<1>}	106.4680	0.000	1	106.4680	0.000	1	106.4680	0.000	1	106.1730	0.174	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:1:1:	4:3:2:	C[5]-4:N[5]-3:O-1:	N[5,6]-3:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5](C[5]N[5,6]HH)(N[5]C[5,6]O)(O)	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(H)2	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]O)(OC)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]O)(O){1|C<3>,1|H<1>,1|S<4>}	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,2|O<1>,2|O<2>}	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]O)(OC){1|S<4>,2|C<3>,2|H<1>}	105.8780	0.000	1	105.8780	0.000	1	105.8780	0.000	1	106.1730	0.174	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:2:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH)	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(O){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5]O)(C[5]O[5]O)(CCHH){1|C<3>,1|C<4>}	105.2810	0.000	1	105.2810	0.000	1	105.2810	0.000	1	105.2810	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]O)(C[5]N[5]O)(CCCH){1|C<3>,2|C<4>}	107.0410	0.000	1	107.0410	0.000	1	107.0410	0.000	1	107.0410	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	3:3:4:1:	4:3:2:	C[5]-4:N[5]-3:O-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5](C[5]N[5,6]CH)(N[5]C[5,6]O)(O)	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(CH3)(H)	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]O)(OC)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]O)(O){1|C<3>,1|H<1>,1|S<4>}	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(CH3)(H){1|C<3>,1|H<1>,2|O<1>,2|O<2>}	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]O)(OC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	106.6260	0.000	1	106.6260	0.000	1	106.6260	0.000	1	106.6260	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	3:4:3:4:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:O-2:	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC)	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]O)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(CC[5]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC){1|H<1>,2|C<3>,2|C<4>}	106.3800	0.000	1	106.3800	0.000	1	106.3800	0.000	1	106.3800	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(N[5]N[5,6]H)(O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	C[5](C[5]C[5,6]HH)(N[5]N[5,6]H)(O){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]O)(H)2{2|C<4>,3|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	107.3850	0.000	1	107.3850	0.000	1	107.3850	0.000	1	107.4120	0.001	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]H)(O)	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(O){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(H)2{1|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){3|C<3>,3|H<1>}	107.4390	0.000	1	107.4390	0.000	1	107.4390	0.000	1	107.4120	0.001	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(N[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(OS)	C[5](C[5]C[5]HH)(N[5]C[5]O)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	N[5](C[5]C[5]O)2(OS){4|H<1>}	105.6162	0.293	4	105.6162	0.086	4	105.5692	0.076	5	105.5692	0.076	5	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HH)(N[5]C[5]O)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)2(OS)	C[5](C[5]C[5]HH)(N[5]C[5]O)(O){1|H<1>,1|N<2>,1|O<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(H)2{1|O<1>,1|O<2>}	N[5](C[5]C[5]O)2(OS){1|N<2>,3|H<1>}	105.3810	0.000	1	105.3810	0.000	1	105.5692	0.076	5	105.5692	0.076	5	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)	C[5](C[5]N[5]HH)(C[5]N[5]H)(H)2	N[5](C[5]C[5]H)(N[5]C[5]C)(COO)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]N[5]H)(H)2{2|C<3>}	N[5](C[5]C[5]H)(N[5]C[5]C)(COO){4|H<1>}	104.5580	0.000	1	104.5580	0.000	1	104.5580	0.000	1	105.6180	2.247	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]N[5]O)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){1|C<4>,3|H<1>}	106.6780	0.000	1	106.6780	0.000	1	106.6780	0.000	1	105.6180	2.247	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]N[5]C)(O)	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(O){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]N[5]O)(H)2{2|C<4>}	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H){4|H<1>}	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(H){4|H<1>}	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:2:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]O)(O)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]O)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(OC)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]O)(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]O)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(OC){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	106.5440	0.000	1	106.5440	0.000	1	106.5440	0.000	1	106.5440	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(H)2{1|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]O){1|O<2>,2|H<1>,3|C<3>}	106.8420	0.000	1	106.8420	0.000	1	106.8420	0.000	1	106.8420	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:S-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(O){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(H)2{1|S<4>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(SC[6a]OO){2|C<4>,5|H<1>}	106.7950	0.000	1	106.7950	0.000	1	106.7950	0.000	1	110.8275	32.522	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(O){4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	114.8600	0.000	1	114.8600	0.000	1	114.8600	0.000	1	110.8275	32.522	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	5:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-5:C[5]-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2	N[5](C[5]C[5]COV)(C[5]C[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(O){1|C<4>,1|O<2>,1|V<8>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,1|O<2>,1|V<8>}	N[5](C[5]C[5]COV)(C[5]C[5]O)(H){4|H<1>}	108.1930	0.000	1	108.1930	0.000	1	108.1930	0.000	1	108.1930	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	3:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:N-2:H-1:	C[5]-3:C[5]-3:O-2:	C[5](C[5]C[5]HN)(N[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H)	N[5](C[5]C[5]O)2(OS)	C[5](C[5]C[5]HN)(N[5]C[5]O)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(NC)(H){1|O<1>,1|O<2>}	N[5](C[5]C[5]O)2(OS){1|N<2>,3|H<1>}	105.6690	0.000	1	105.6690	0.000	1	105.6690	0.000	1	105.6690	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:2:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-2:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(O)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(CN)(H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(O){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]N[5]O)(CN)(H){1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O)(CH3){1|C<2>,3|C<4>,3|H<1>}	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:1:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){3|H<1>}	N[5](C[5]C[5]HH)(C[5]C[5]O)(H){1|C<4>,1|N<3>,2|H<1>}	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:4:	C[5]-4:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(CH3)(H)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(CH3)(H){1|C<3>,3|C<4>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|O<2>,4|H<1>}	109.5590	0.000	1	109.5590	0.000	1	109.5590	0.000	1	109.5590	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	4:3:2:	C[5]-4:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]CC)(N[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC)	C[5](C[5]C[5]CC)(N[5]C[5]O)(O){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	N[5](C[5]C[5]CH)(C[5]C[5]O)(OC){2|C<4>,2|H<1>}	107.5215	0.110	2	107.5215	0.012	2	107.5215	0.012	2	107.5215	0.012	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:1:1:	4:3:1:	C[5]-4:N[5]-3:N-2:	N[5]-3:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]HH)(N[5]C[5]H)(NO)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)2	N[5](C[5]N[5]HH)(C[5]C[5]N)(H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(NO){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)2{2|C<3>,3|H<1>}	N[5](C[5]N[5]HH)(C[5]C[5]N)(H){1|C<3>,2|H<1>}	109.6980	0.000	1	109.6980	0.000	1	109.6980	0.000	1	109.6980	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]N)(C[5]N[5]O)(CCCH){1|C<3>,2|C<4>}	107.5710	0.000	1	107.5710	0.000	1	107.4820	0.087	3	107.4820	0.087	3	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	107.7220	0.000	1	107.4375	0.162	2	107.4820	0.087	3	107.4820	0.087	3	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:2:	3:3:3:4:	3:3:4:	C[5]-4:N[5]-3:N-2:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5]N)(C[5]N[5]O)(CCHH){1|C<3>,2|C<4>}	107.1530	0.000	1	107.4375	0.162	2	107.4820	0.087	3	107.4820	0.087	3	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(NHS)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CC[6a]2){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(NHS)(H){1|H<1>,1|S<4>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|N<3>,2|C<3>,2|H<1>}	108.3150	0.000	1	108.3150	0.000	1	108.3150	0.000	1	107.9090	0.330	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:3:1:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:S-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CHH){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)(H){1|S<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C)(SC[6a]OO){1|H<1>,4|C<3>}	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	107.9090	0.330	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SCOO)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CC[6a]H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH){1|S<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SCOO){1|H<1>,1|O<2>,3|C<3>}	108.5020	0.000	1	108.5020	0.000	1	108.6947	0.078	3	108.6947	0.078	3	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:3:	3:3:3:2:	3:3:4:	C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CHI)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CHI){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH){1|S<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|H<1>,1|O<2>,3|C<3>}	108.7910	0.317	2	108.7910	0.100	2	108.6947	0.078	3	108.6947	0.078	3	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:4:4:	4:3:4:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]C[5]CC)(C[5]C[5]2)(CC3)	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{2|N<3>,3|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]2)(CC3){2|C<4>,2|H<1>,2|N<3>}	112.5180	0.000	1	112.5180	0.000	1	110.5000	8.145	2	110.5000	8.145	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:3:	3:4:4:4:	4:3:4:	C[5]-4:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH)	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{2|N<3>,3|C<4>}	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH){2|C<4>,2|H<1>,2|N<3>}	108.4820	0.000	1	108.4820	0.000	1	110.5000	8.145	2	110.5000	8.145	2	107.5393	3.520	60	107.4945	1.861	189
818	474	542	5:SP2_SP3_SP3	C[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCC)	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCC){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]C)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6a]O){4|H<1>}	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	107.5393	3.520	60	107.4945	1.861	189
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6,6]	N[5,6,6]	4:3:1:	3:3:3:4:	4:3:4:	C[5,5,6,6]-4:N[5,6,6]-3:O-1:	N[5,5,6]-3:C[5a,6]-3:C[5,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(N[5,6,6]C[5,5,6,6]C[6])(O)	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6,6]O)(C[5,6]C[5,6]CC)	N[5,6,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH)	C[5,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(N[5,6,6]C[5,5,6,6]C[6])(O){1|N<3>,2|C<3>,2|H<1>,5|C<4>}	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6,6]O)(C[5,6]C[5,6]CC){2|C<4>,3|C<3>,5|H<1>}	N[5,6,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	103.7900	0.000	1	103.7900	0.000	1	103.7900	0.000	1	103.7900	0.000	1	103.7900	0.000	1	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,3x6]	3:4:1:	4:2:3:3:	4:4:3:	N[5,3x6]-3:C[5,5,6]-4:O-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,3x6]-4:C[6,6]-4:C[5,6]-3:	C[5,6](N[5,3x6]C[5,5,3x6]C[6,6])(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,3x6])(C[5,6]N[5,3x6]O)(COO)	N[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]N[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,5,6]O)	C[5,6](N[5,3x6]C[5,5,3x6]C[6,6])(C[5,5,6]C[5,6]O[5,5]C)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,3x6])(C[5,6]N[5,3x6]O)(COO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]N[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	102.6550	0.000	1	102.6550	0.000	1	102.6550	0.000	1	102.6550	0.000	1	102.6550	0.000	1	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,5,6]	4:3:1:	3:2:2:3:	4:3:4:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[5,6]-3:S[5,5]-2:S[5,6]-2:C[6a]-3:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2)	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH)	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH){1|S<2>,2|H<1>,3|C<3>}	106.9860	0.000	1	106.9860	0.000	1	106.5760	0.127	3	106.5760	0.127	3	106.4559	0.131	10	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,5,6]	4:3:1:	3:2:2:3:	4:3:4:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[5,6]-3:S[5,5]-2:S[5,6]-2:C[6a]-3:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2)	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|S<2>,2|H<1>,3|C<3>}	106.3990	0.000	1	106.3990	0.000	1	106.5760	0.127	3	106.5760	0.127	3	106.4559	0.131	10	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,5,6]	4:3:1:	3:2:2:3:	4:3:4:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[5,6]-3:S[5,5]-2:S[5,6]-2:C[6a]-3:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2)	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[6a]C[5]H)	C[5,6](C[5,5,6]S[5,5]S[5,6]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[5,5,6](C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(S[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[6a]C[5]H){1|S<2>,2|H<1>,5|C<3>}	106.3430	0.000	1	106.3430	0.000	1	106.5760	0.127	3	106.5760	0.127	3	106.4559	0.131	10	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,5,6]	4:3:1:	3:4:2:3:	4:3:4:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[5,6]-3:C[5,6]-4:S[5,5]-2:C[6a]-3:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]CH)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|S<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]CH)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	106.1320	0.000	1	106.1320	0.000	1	106.1320	0.000	1	106.1320	0.000	1	106.4559	0.131	10	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,5,6]	4:3:1:	4:3:2:3:	4:3:4:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]N[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]N[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	106.1250	0.000	1	106.1250	0.000	1	106.5168	0.160	5	106.4498	0.155	6	106.4559	0.131	10	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,5,6]	4:3:1:	4:3:2:3:	4:3:4:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|S<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	106.6365	0.620	2	106.6365	0.385	2	106.5168	0.160	5	106.4498	0.155	6	106.4559	0.131	10	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,5,6]	4:3:1:	4:3:2:3:	4:3:4:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|S<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	106.5930	0.250	2	106.5930	0.063	2	106.5168	0.160	5	106.4498	0.155	6	106.4559	0.131	10	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,5,6]	4:3:1:	4:3:2:3:	4:3:4:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|S<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	106.1150	0.000	1	106.1150	0.000	1	106.1150	0.000	1	106.4498	0.155	6	106.4559	0.131	10	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,6,6]	4:3:1:	4:2:3:3:	4:3:4:	C[5,5,6]-4:N[5,6,6]-3:O-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6,6]C[5,5,3x6]C[6])(O)	C[5,5,6](C[5,5,6]C[5,5,6,6]N[5]H)(O[5,5]C[5,5,3x6])(C[5,6]N[5,6,6]O)(CCO)	N[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5,5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6,6]C[5,5,3x6]C[6])(O){1|N<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6,6]N[5]H)(O[5,5]C[5,5,3x6])(C[5,6]N[5,6,6]O)(CCO){1|S<4>,2|C<3>,3|C<4>}	N[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5,5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH){2|H<1>,3|C<3>,4|C<4>}	101.9080	0.000	1	101.9080	0.000	1	101.9080	0.000	1	101.9080	0.000	1	101.9080	0.000	1	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:1:	4:2:3:3:	4:3:3:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,6]C[5,5,6]C[6a])(O)	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(C[6a]C[6a]2)	N[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,6]C[5,5,6]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	105.5937	4.506	18	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:1:	4:2:3:3:	4:3:4:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6]C[5,5,6]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]N[5,6]O)(COO)	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6]C[5,5,6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]N[5,6]O)(COO){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	103.1460	0.310	2	103.1460	0.096	2	103.1460	0.096	2	103.1460	0.096	2	105.5937	4.506	18	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O)	C[5,5,6](C[5,6]C[5,5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	N[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]O)(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,6]C[5,5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){1|H<1>,3|C<3>}	N[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]O)(H){1|N<2>,2|C<4>,3|C<3>}	106.8390	0.000	1	106.8390	0.000	1	107.6411	0.199	8	107.6411	0.199	8	105.5937	4.506	18	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O)	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	N[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]O)(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){2|C<3>,2|H<1>}	N[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	107.7103	0.159	3	107.7103	0.025	3	107.6411	0.199	8	107.6411	0.199	8	105.5937	4.506	18	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:1:	4:2:3:4:	4:3:1:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	N[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]O)(H)	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(C[5,6]C[5,5,6]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	107.7897	0.447	4	107.7897	0.200	4	107.6411	0.199	8	107.6411	0.199	8	105.5937	4.506	18	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:1:	4:3:2:1:	4:3:4:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5,6]-3:O[5,6]-2:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(O)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(O){2|C<4>,2|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]N[5,6]O)(O[5,6]C[5,6])(H){1|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|O<2>,4|H<1>}	103.5240	0.000	1	103.5240	0.000	1	103.5240	0.000	1	103.5240	0.000	1	105.5937	4.506	18	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:N[5,6]-3:O-1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(N[5,6]C[5,5,6]C)(O)	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H)	N[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(N[5,6]C[5,5,6]C)(O){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H){1|C<3>,2|H<1>}	N[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO){1|C<4>,1|O<2>,4|H<1>}	104.0280	0.000	1	104.0280	0.000	1	104.0280	0.000	1	103.7070	0.064	6	105.5937	4.506	18	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(N[5,6]C[5,5,6]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(C[5,6]N[5,6]O)(H)	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(N[5,6]C[5,5,6]C)(O){1|Br<1>,1|C<4>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]BrH)(C[5,6]N[5,6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO){1|Br<1>,1|C<4>,1|O<2>,3|H<1>}	103.6295	0.254	4	103.6295	0.065	4	103.6428	0.049	5	103.7070	0.064	6	105.5937	4.506	18	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:1:	4:4:3:1:	4:3:3:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(N[5,6]C[5,5,6]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H)	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(N[5,6]C[5,5,6]C)(O){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H){1|N<2>,2|C<3>,2|H<1>}	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO){1|C<3>,1|C<4>,4|H<1>}	103.6960	0.000	1	103.6960	0.000	1	103.6428	0.049	5	103.7070	0.064	6	105.5937	4.506	18	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5,6]	3:4:3:	3:4:4:1:	4:3:4:	N[5,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[5,6]-3:C[5]-4:	C[5,6](N[5,6]C[5,3x6]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](C[5,6]N[5,6]C[5])(C[6]C[4x6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5,6](N[5,6]C[5,3x6]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,6]N[5,6]C[5])(C[6]C[4x6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6]C[5,6]C[5])(C[5]C[5]HH){2|C<3>,4|H<1>,5|C<4>}	116.8730	0.000	1	116.8730	0.000	1	116.8730	0.000	1	116.8730	0.000	1	118.9334	8.544	5	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5,6]	3:4:4:	4:3:4:1:	5:3:2:	N[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6]-3:C[5]-4:H-1:	Si[5,5,6]-5:C[5,6]-3:N[5]-2:	C[5,6](N[5,6]Si[5,5,6]N[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]N[5,6]C[5]2)(C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5])(N[5]C[5])	C[5,6](N[5,6]Si[5,5,6]N[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6]N[5,6]C[5]2)(C[5,6]N[5,6]C[5])(C[5]C[5]HH)(H){1|Si<5>,2|C<4>,2|N<2>,8|H<1>}	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[5,6]C[5,6]C[5])(N[5]C[5]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	119.6830	0.000	1	119.6830	0.000	1	119.6830	0.000	1	119.6830	0.000	1	118.9334	8.544	5	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5,6]	4:3:2:	3:4:2:1:	3:4:2:	C[5,6]-4:N[5,6]-3:C[5]-2:	C[5,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]N[5])(C[5]N[5])	C[5,6](C[5,6]N[5,6]C[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(N[5]N[5])	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]N[5])(C[5]N[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5,6]C[5])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|H<1>,1|O<2>,2|N<2>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(N[5]N[5]){1|C<4>,2|H<1>,2|O<2>}	115.0000	0.000	1	115.0000	0.000	1	115.0000	0.000	1	115.0000	0.000	1	118.9334	8.544	5	107.4518	26.009	36
818	474	542	6:SP2_SP2_SP3	C[5,6]	C[5,6]	N[5,6]	4:3:3:	3:3:3:2:	3:3:4:	C[5,6]-4:N[5,6]-3:C[5]-3:	N[5a,6]-3:C[5,6]-3:C[5]-3:N[5]-2:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[5,6]N[5a,6]C[5]N[5])(N[5,6]C[5]C[6])(C[5]C[5]H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5])	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]O)(C[5]C[5]HH)	C[5,6](C[5,6]N[5a,6]C[5]N[5])(N[5,6]C[5]C[6])(C[5]C[5]H){1|N<2>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[5]N[5]N)(N[5]C[5]){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]O)(C[5]C[5]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	121.5555	0.384	2	121.5555	0.147	2	121.5555	0.147	2	121.5555	0.147	2	118.9334	8.544	5	107.4518	26.009	36
818	474	542	6:SP2_SP3_SP3	C[5,6]	C[3x5,6]	N[5,6]	4:3:2:	3:4:3:4:	4:3:1:	C[3x5,6]-4:N[5,6]-3:N-2:	N[5,5,6]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[3x5,6]N[5,5,6]C[5,5]C[5])(N[5,6]C[5,5,6]H)(NC)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]N)(H)	C[5,6](C[3x5,6]N[5,5,6]C[5,5]C[5])(N[5,6]C[5,5,6]H)(NC){3|C<4>,5|H<1>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH){1|C<3>,7|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[3x5,6]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	104.8010	0.000	1	104.8010	0.000	1	104.8010	0.000	1	104.8010	0.000	1	104.8010	0.000	1	104.7032	3.345	8
818	474	542	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	N[5,5,6]	3:4:1:	4:2:3:3:	4:3:3:	N[5,5,6]-3:C[5,5,6]-4:O-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[3x5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6](N[5,5,6]C[3x5,6,6]C[5,6a])(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(C[5,6]N[5,5,6]O)(COO)	N[5,5,6](C[3x5,6,6]C[3,5,6]C[5,6,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]O)	C[5,6](N[5,5,6]C[3x5,6,6]C[5,6a])(C[5,5,6]C[5,6]O[5,5]C)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[3x5,6,6])(C[5,6]N[5,5,6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	N[5,5,6](C[3x5,6,6]C[3,5,6]C[5,6,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]O){2|H<1>,3|C<3>,4|C<4>}	101.9000	0.000	1	101.9000	0.000	1	101.9000	0.000	1	101.9000	0.000	1	105.4043	5.531	4	104.7032	3.345	8
818	474	542	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	N[5,5,6]	4:3:1:	3:4:2:3:	4:3:4:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[5,6]-3:C[5,6]-4:S[5,5]-2:C[6a]-3:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]HH)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,6]N[5,5,6]O)(C[5,6]C[5,6]HH)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<2>,1|C<4>,1|S<2>,2|C<3>,3|H<1>}	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	106.5895	0.467	2	106.5895	0.218	2	106.5895	0.218	2	106.5895	0.218	2	105.4043	5.531	4	104.7032	3.345	8
818	474	542	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	N[5,5,6]	4:3:1:	4:3:2:3:	4:3:4:	C[5,5,6]-4:N[5,5,6]-3:O-1:	C[5,5,6]-4:C[5,6]-3:S[5,5]-2:C[6a]-3:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2)	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C[6a])(N[5,5,6]C[3x5,6]C[5])(O){1|S<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]N[5,5,6]O)(S[5,5]C[3x5,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	105.4043	5.531	4	104.7032	3.345	8
818	474	542	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:1:	3:4:3:3:	4:3:4:	C[5,5,6]-4:N[5,6]-3:O-1:	N[5,5]-3:C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(N[5,6]C[5,5,6]C)(O)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]O)(C[6a]C[6a]2)	N[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6]N[5,5]C[6a])(N[5,6]C[5,5,6]C)(O){2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	103.4400	0.000	1	103.4400	0.000	1	103.4400	0.000	1	103.4400	0.000	1	103.7360	1.020	3	104.7032	3.345	8
818	474	542	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:1:	4:2:3:3:	4:3:4:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6]C[5,5,6]C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]N[5,6]O)(COO)	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6]C[5,5,6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]N[5,6]O)(COO){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	102.9070	0.000	1	102.9070	0.000	1	102.9070	0.000	1	102.9070	0.000	1	103.7360	1.020	3	104.7032	3.345	8
818	474	542	6:SP2_SP3_SP3	C[5,6]	C[5,5,6]	N[5,6]	4:3:1:	4:3:3:1:	4:3:1:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]H)(O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[5,6]N[5,6]O)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]H)(O){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(C[5,6]N[5,6]O)(H){3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(H){1|C<3>,4|H<1>}	104.8610	0.000	1	104.8610	0.000	1	104.8610	0.000	1	104.8610	0.000	1	103.7360	1.020	3	104.7032	3.345	8