466	622	952	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:4:1:	4:4:	4:3:1:1:	C[6]-4:O[6]-2:S-4:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(SC[6a]OO)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(SC[6a]OO)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS){1|O<2>,2|C<4>,5|H<1>}	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)2	111.5553	0.265	4	111.5553	0.070	4	111.5553	0.070	4	111.5553	0.070	4	109.2497	12.851	6	109.2497	12.851	6
466	622	952	0:SP3_SP3_SP3	C[6]	O[6]	S	4:2:4:1:	4:4:	4:4:2:1:	C[6]-4:O[6]-2:S-4:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N-2:O-1:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6]NO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(C[6]C[6]2H)(NH)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6]NO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(C[6]C[6]2H)(NH)(O)	104.9950	0.000	1	104.9950	0.000	1	104.9950	0.000	1	104.9950	0.000	1	109.2497	12.851	6	109.2497	12.851	6
466	622	952	0:SP3_SP3_SP3	C[6]	O[6]	S	4:4:2:1:	4:4:	4:3:1:1:	C[6]-4:S-4:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6]C[6]HO)(SC[6a]OO)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]HS)	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6]C[6]HO)(SC[6a]OO)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HS){1|C<4>,2|H<1>,2|O<2>}	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)2	104.2820	0.000	1	104.2820	0.000	1	104.2820	0.000	1	104.2820	0.000	1	109.2497	12.851	6	109.2497	12.851	6
466	622	956	0:SP3_SP2_SP2	C[6,6]	O[6]	N	3:4:2:3:	4:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a])	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<2>,1|S<2>,4|C<3>,4|H<1>}	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	105.4780	0.000	1	104.0327	1.717	3	104.0327	1.717	3	104.0327	1.717	3	104.0327	1.717	3	107.3704	14.704	7
466	622	956	0:SP3_SP2_SP2	C[6,6]	O[6]	N	3:4:2:3:	4:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a])	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6,6]C[6,6a]C[6,6]N)(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,4|C<3>}	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	103.3100	0.549	2	104.0327	1.717	3	104.0327	1.717	3	104.0327	1.717	3	104.0327	1.717	3	107.3704	14.704	7
466	622	956	0:SP3_SP2_SP2	C[6]	O[6]	N	2:3:3:3:	3:4:	4:3:1:	O[6]-2:C[6]-3:N-3:C-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(NC[6a]H)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(NC[6a]H)(COO){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN){2|H<1>,3|C<3>}	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	109.8738	8.767	4	107.3704	14.704	7
466	622	956	0:SP3_SP2_SP2	C[6]	O[6]	N	2:4:3:1:	3:4:	4:3:1:	O[6]-2:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NCH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NCH)(H){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6]O[6]H)(CCO)(H)	105.6990	0.000	1	105.6990	0.000	1	105.6990	0.000	1	105.6990	0.000	1	109.8738	8.767	4	107.3704	14.704	7
466	622	956	0:SP3_SP2_SP2	C[6]	O[6]	N	2:4:3:1:	3:4:	4:3:3:	O[6]-2:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	112.3680	0.000	1	112.3680	0.000	1	112.3680	0.000	1	112.3680	0.000	1	109.8738	8.767	4	107.3704	14.704	7
466	622	956	0:SP3_SP2_SP2	C[6]	O[6]	N	4:2:3:3:	3:4:	4:3:1:	C[6]-4:O[6]-2:N-3:C-3:	C[6,6]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(NC[6a]H)(COO)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CN)	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(NC[6a]H)(COO){1|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]CN){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	109.8738	8.767	4	107.3704	14.704	7
466	622	956	0:SP3_SP2_SP3	C[6,6]	O[6]	N	4:4:2:3:	4:3:	4:4:4:	C[6,6]-4:C[6]-4:O[6]-2:N-3:	C[6,6]-4:C[6,6]-3:	C[6,6]-4:C-4:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(NCC)	O[6](C[6,6]C[6,6]C[6]N)(C[6,6]C[6,6]C[6])	N(C[6,6]C[6,6]C[6]O[6])(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(NCC){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6,6]C[6,6]C[6]N)(C[6,6]C[6,6]C[6]){1|C<3>,3|H<1>,5|C<4>}	N(C[6,6]C[6,6]C[6]O[6])(CH3)2	106.1820	0.000	1	106.1820	0.000	1	106.1820	0.000	1	106.1820	0.000	1	106.1820	0.000	1	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	2:4:3:1:	3:4:	4:4:1:	O[6]-2:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:S-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NHS)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(SC[6a]OO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6]O[6]H)(SC[6a]OO)(H)	106.8350	0.000	1	106.8350	0.000	1	106.8350	0.000	1	106.8350	0.000	1	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	2:4:3:1:	3:4:	4:4:4:	O[6]-2:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]FF)(NCC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CH3)2	C[6](O[6]C[6,6a])(C[6]C[6]FF)(NCC)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN){1|H<1>,2|F<1>,3|C<3>}	N(C[6]C[6]O[6]H)(CH3)2	111.3990	0.000	1	111.3990	0.000	1	111.3990	0.000	1	111.3990	0.000	1	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	2:4:3:3:	3:4:	4:4:4:	O[6]-2:C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]N[6]H)(NC[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2N)	N(C[6]C[6]2O[6])(C[6]C[6]2H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]N[6]H)(NC[6]C){2|C<3>,2|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2N){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6]2O[6])(C[6]C[6]2H)(CH3)	112.6530	0.000	1	112.6530	0.000	1	112.6530	0.000	1	112.6530	0.000	1	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	2:4:4:3:	3:4:	4:4:1:	O[6]-2:C[6]-4:C-4:N-3:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(NCH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CN)	N(C[6]C[6]O[6]C)(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(NCH){2|C<3>,2|C<4>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CN){1|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6]O[6]C)(CC[6a]HH)(H)	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	3:2:3:1:	3:4:	4:3:1:	C[6]-3:O[6]-2:N-3:H-1:	N[6]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H){1|C<3>,2|C<4>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HN){1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	3:2:3:1:	4:3:	4:4:4:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-4:N[6]-3:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H)	O[6](C[6]C[6]HN)(N[6]C[6]C)	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCCH)	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H){1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]C[6]HN)(N[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCCH)	111.6990	0.000	1	111.6990	0.000	1	111.6990	0.000	1	111.6990	0.000	1	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	3:4:	4:4:1:	C[5,6]-4:O[6]-2:N-3:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(NCH)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HN)	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(H)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(NCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HN){1|H<1>,2|C<4>,3|C<3>}	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(H)	113.8470	0.000	1	113.8470	0.000	1	113.8470	0.000	1	113.6020	0.120	2	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	3:4:	4:4:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6,6]-3:C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CCHH)(H)	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H){1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N(C[6]C[6]O[6]H)(CCHH)(H)	113.3570	0.000	1	113.3570	0.000	1	113.3570	0.000	1	113.6020	0.120	2	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	3:4:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	N(C[6a]C[5,6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6a]C[5,6a]N[6a])(C[6]C[6]O[6]H)(H)	111.9940	0.000	1	111.9940	0.000	1	111.2250	1.110	3	111.2250	1.110	3	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	3:4:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	110.8405	1.155	2	110.8405	1.333	2	111.2250	1.110	3	111.2250	1.110	3	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:1:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]O[6]H)(H)2	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:2:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:S-2:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(SC[6a])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(SC[6a])(H)	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN){1|C<4>,3|O<2>,4|H<1>}	N(C[6]C[6]O[6]H)(CCO)(H)	107.2000	0.000	1	107.2000	0.000	1	107.2000	0.000	1	108.9486	4.752	25	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN){1|C<4>,3|O<2>,4|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	108.9486	4.752	25	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]O[6]H)(CCO)(H)	111.7292	3.305	4	111.7292	10.926	4	108.9335	6.871	17	108.9486	4.752	25	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|Cl<1>,1|C<4>,3|H<1>}	N(C[6]C[6]O[6]H)(CCO)(H)	107.8470	0.000	1	107.8470	0.000	1	108.9335	6.871	17	108.9486	4.752	25	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N(C[6]C[6]O[6]H)(CCO)(H)	107.6580	0.000	1	107.6580	0.000	1	108.9335	6.871	17	108.9486	4.752	25	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(CCO)(H)	106.9460	0.974	3	106.9460	0.950	3	108.9335	6.871	17	108.9486	4.752	25	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CNO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(CNO)(H)	108.4570	0.000	1	108.4570	0.000	1	108.9335	6.871	17	108.9486	4.752	25	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CNS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(CNS)(H)	109.6577	3.334	3	109.6577	11.114	3	108.9335	6.871	17	108.9486	4.752	25	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(COO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(COO)(H)	107.8900	0.000	1	107.8900	0.000	1	108.9335	6.871	17	108.9486	4.752	25	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(COS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(COS)(H)	107.7630	0.000	1	107.7630	0.000	1	108.9335	6.871	17	108.9486	4.752	25	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CNS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(CNS)(H)	107.7635	0.337	2	107.7635	0.114	2	108.9335	6.871	17	108.9486	4.752	25	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	109.1750	0.000	1	109.1750	0.000	1	109.3260	0.024	6	108.9486	4.752	25	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	O[6](C[6]C[6]HN)(C[6]O[6]CH)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HN)(C[6]O[6]CH){1|C<4>,2|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	109.4050	0.270	2	109.4050	0.073	2	109.3260	0.024	6	108.9486	4.752	25	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	109.3237	0.071	3	109.3237	0.005	3	109.3260	0.024	6	108.9486	4.752	25	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:3:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	105.9870	0.461	3	105.9870	0.212	3	105.9870	0.212	3	105.9870	0.212	3	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:4:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(CC[6a]HH)(H)	110.2290	0.000	1	110.2290	0.000	1	110.2290	0.000	1	109.6095	0.768	2	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:4:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(SCOO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(SCOO)(H)	108.9900	0.000	1	108.9900	0.000	1	108.9900	0.000	1	109.6095	0.768	2	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:4:3:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP2_SP3	C[6]	O[6]	N	4:2:4:3:	4:4:	4:3:1:	C[6]-4:O[6]-2:C-4:N-3:	C[6]-4:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH)	O[6](C[6]C[6]CN)(C[6]C[6]HH)	N(C[6]C[6]O[6]C)(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH){1|C<4>,4|H<1>}	O[6](C[6]C[6]CN)(C[6]C[6]HH){1|C<4>,4|H<1>}	N(C[6]C[6]O[6]C)(COO)(H)	111.8390	0.232	4	111.8390	0.054	4	111.8390	0.054	4	111.8390	0.054	4	109.6424	6.050	48	109.5718	6.168	49
466	622	956	0:SP3_SP3_SP3	C[6,6]	O[6,6]	N	2:4:4:3:	4:4:	4:1:1:	O[6,6]-2:C[6]-4:C[6]-4:N-3:	C[6,6]-4:C[6,6]-4:	C[6,6]-4:H-1:H-1:	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HO)(NHH)	O[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2N)	N(C[6,6]O[6,6]C[6]2)(H)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HO)(NHH){1|O<2>,2|H<1>,4|C<4>}	O[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2N){2|C<4>,2|F<1>,2|O<2>,4|H<1>}	N(C[6,6]O[6,6]C[6]2)(H)2	105.7880	0.000	1	105.7880	0.000	1	105.7880	0.000	1	105.7880	0.000	1	105.7880	0.000	1	110.1519	4.940	19
466	622	956	0:SP3_SP3_SP3	C[6,6]	O[6]	N	4:2:2:3:	4:4:	4:1:1:	C[6,6]-4:O[6]-2:O[6]-2:N-3:	C[6,6]-4:C[6]-4:	C[6,6]-4:H-1:H-1:	C[6,6](C[6,6]N[6,6]HH)(O[6]C[6])2(NHH)	O[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH)	N(C[6,6]C[6,6]O[6]2)(H)2	C[6,6](C[6,6]N[6,6]HH)(O[6]C[6])2(NHH){3|C<4>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH){1|C<4>,1|N<4>,4|H<1>}	N(C[6,6]C[6,6]O[6]2)(H)2	109.4818	0.718	6	109.4818	0.516	6	109.4818	0.516	6	109.4818	0.516	6	109.4818	0.516	6	110.1519	4.940	19
466	622	956	0:SP3_SP3_SP3	C[6]	O[6]	N	3:2:3:1:	4:4:	4:4:4:	C[6,6a]-3:O[6]-2:N-3:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H)	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]HN)	N(C[6]C[6,6a]O[6]H)(CCCH)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6,6a]HN){1|H<1>,7|C<3>}	N(C[6]C[6,6a]O[6]H)(CCCH)2	109.7270	0.000	1	109.7270	0.000	1	109.7270	0.000	1	108.8995	1.370	2	110.8507	5.340	12	110.1519	4.940	19
466	622	956	0:SP3_SP3_SP3	C[6]	O[6]	N	3:2:3:1:	4:4:	4:4:4:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(NCS)(H)	O[6](C[6]C[6]HH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(NCS)(H){2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,2|C<3>}	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)	108.0720	0.000	1	108.0720	0.000	1	108.0720	0.000	1	108.8995	1.370	2	110.8507	5.340	12	110.1519	4.940	19
466	622	956	0:SP3_SP3_SP3	C[6]	O[6]	N	3:3:2:3:	4:2:	4:1:1:	C[6,6a]-3:C[6a]-3:O[6]-2:N-3:	C[6]-4:O[6]-2:	C[6]-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH)	O[6](C[6]C[6,6a]C[6a]N)(O[6]C[6,6])	N(C[6]C[6,6a]C[6a]O[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]C[6a]N)(O[6]C[6,6]){2|C<4>,4|C<3>}	N(C[6]C[6,6a]C[6a]O[6])(H)2	113.4610	0.000	1	113.4610	0.000	1	113.4610	0.000	1	113.4610	0.000	1	110.8507	5.340	12	110.1519	4.940	19
466	622	956	0:SP3_SP3_SP3	C[6]	O[6]	N	4:2:3:1:	4:3:	4:4:2:	C[5,6]-4:O[6]-2:N-3:H-1:	C[6]-4:N[6]-3:	C[6]-4:C-4:O-2:	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H)	O[6](C[6]C[5,6]HN)(N[6]C[6]C)	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(OH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[6]C[5,6]HN)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(OH)	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	110.8507	5.340	12	110.1519	4.940	19
466	622	956	0:SP3_SP3_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:1:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]O[6]H)(H)2	111.1787	1.777	3	111.1787	3.159	3	110.9518	2.312	4	110.9518	2.312	4	110.8507	5.340	12	110.1519	4.940	19
466	622	956	0:SP3_SP3_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:1:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NHH)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]O[6]H)(H)2	110.2710	0.000	1	110.2710	0.000	1	110.9518	2.312	4	110.9518	2.312	4	110.8507	5.340	12	110.1519	4.940	19
466	622	956	0:SP3_SP3_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	O[6](C[6]C[6]HN)(C[6]O[6]CH)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HN)(C[6]O[6]CH){1|C<4>,2|H<1>}	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	109.4153	0.259	3	109.4153	0.067	3	109.4153	0.067	3	109.4153	0.067	3	110.8507	5.340	12	110.1519	4.940	19
466	622	956	0:SP3_SP3_SP3	C[6]	O[6]	N	4:2:3:1:	4:4:	4:4:2:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-4:O-2:	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HN)	N(C[6]C[6]O[6]H)(CCHH)(OC)	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HN){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N(C[6]C[6]O[6]H)(CCHH)(OC)	110.6050	0.000	1	110.6050	0.000	1	110.6050	0.000	1	110.6050	0.000	1	110.8507	5.340	12	110.1519	4.940	19
466	622	983	0:SP3_SP1_SP2	C[6]	O[6]	C	2:3:2:1:	3:4:	4:2:	O[6]-2:C[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-2:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CC[6a])	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC)(H){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){2|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(CC[6a])	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	108.2121	3.516	8	108.2121	3.516	8
466	622	983	0:SP3_SP1_SP2	C[6]	O[6]	C	2:4:2:1:	3:4:	4:1:	O[6]-2:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(N)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN)(H){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(N)	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	108.2121	3.516	8	108.2121	3.516	8
466	622	983	0:SP3_SP1_SP2	C[6]	O[6]	C	2:4:2:1:	3:4:	4:2:	O[6]-2:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:	C[6]-4:C-2:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CC[6a])	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CC)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(CC[6a])	110.7610	0.055	2	110.7610	0.003	2	110.7610	0.003	2	110.7610	0.003	2	108.2121	3.516	8	108.2121	3.516	8
466	622	983	0:SP3_SP1_SP2	C[6]	O[6]	C	3:2:4:2:	4:3:	4:2:	C[6,6a]-3:O[6]-2:C-4:C-2:	C[6]-4:C[6]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC)	O[6](C[6]C[6,6a]CC)(C[6]N[6]O)	C(C[6]C[6,6a]O[6]C)(CC[3])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]CC)(C[6]N[6]O){1|H<1>,2|C<3>}	C(C[6]C[6,6a]O[6]C)(CC[3])	107.8155	1.211	2	107.8155	1.467	2	107.8155	1.467	2	107.8155	1.467	2	108.2121	3.516	8	108.2121	3.516	8
466	622	983	0:SP3_SP1_SP2	C[6]	O[6]	C	4:2:2:1:	4:3:	4:2:	C[5,6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-2:	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CC)(H)	O[6](C[6]C[5,6]CH)(C[6]C[6]O)	C(C[6]C[5,6]O[6]H)(CC[6a])	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CC)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	O[6](C[6]C[5,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5,6]O[6]H)(CC[6a])	108.5070	0.000	1	108.5070	0.000	1	108.5070	0.000	1	106.9255	5.002	2	108.2121	3.516	8	108.2121	3.516	8
466	622	983	0:SP3_SP1_SP2	C[6]	O[6]	C	4:2:2:1:	4:3:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:C-2:	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H)	O[6](C[6]C[6]CH)(C[6]O[6]O)	C(C[6]C[6]O[6]H)(CH)	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H){1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]O[6]O){1|H<1>,2|C<4>}	C(C[6]C[6]O[6]H)(CH)	105.3440	0.000	1	105.3440	0.000	1	105.3440	0.000	1	106.9255	5.002	2	108.2121	3.516	8	108.2121	3.516	8
466	622	983	0:SP3_SP1_SP3	C[3x6]	O[6,6]	C	3:3:2:2:	4:2:	4:2:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-2:	C[3x6]-4:O[6,6]-2:	C[3x6]-4:C-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC)	O[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])	C(C[3x6]C[6,6,6a]2O[6,6])(CSi)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC){1|C<4>,1|H<1>,5|C<3>}	O[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6]){1|C<2>,4|C<3>}	C(C[3x6]C[6,6,6a]2O[6,6])(CSi)	102.0395	1.399	2	102.0395	1.958	2	102.0395	1.958	2	102.0395	1.958	2	102.0395	1.958	2	108.8107	7.053	22
466	622	983	0:SP3_SP1_SP3	C[6]	O[6]	C	2:3:2:1:	4:4:	4:1:	O[6]-2:C[6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:N-1:	C[6](O[6]C[5,6])(C[6]N[6]C)(CN)(H)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(N)	C[6](O[6]C[5,6])(C[6]N[6]C)(CN)(H){1|Ni<4>,1|H<1>,2|C<3>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH){1|N<3>,4|C<3>}	C(C[6]C[6]O[6]H)(N)	109.4280	1.008	2	109.4280	1.017	2	109.4280	1.017	2	109.6657	0.678	3	109.4878	2.384	20	108.8107	7.053	22
466	622	983	0:SP3_SP1_SP3	C[6]	O[6]	C	2:3:2:1:	4:4:	4:1:	O[6]-2:C[6]-3:C-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:N-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CN)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(N)	C[6](O[6]C[6,6])(C[6]C[6]H)(CN)(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6]H)(N)	110.1410	0.000	1	110.1410	0.000	1	110.1410	0.000	1	109.6657	0.678	3	109.4878	2.384	20	108.8107	7.053	22
466	622	983	0:SP3_SP1_SP3	C[6]	O[6]	C	2:3:4:2:	4:4:	4:2:	O[6]-2:C[6]-3:C-4:C-2:	C[6,6]-4:C[6]-4:	C[6]-4:C-2:	C[6](O[6]C[6,6])(C[6]C[6]C)(CF3)(CC)	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC)	C(C[6]C[6]O[6]C)(CC[6a])	C[6](O[6]C[6,6])(C[6]C[6]C)(CF3)(CC){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CC){1|H<1>,4|C<3>}	C(C[6]C[6]O[6]C)(CC[6a])	110.4200	0.000	1	110.4200	0.000	1	110.4200	0.000	1	110.4200	0.000	1	109.4878	2.384	20	108.8107	7.053	22
466	622	983	0:SP3_SP1_SP3	C[6]	O[6]	C	2:4:2:2:	4:4:	4:1:	O[6]-2:C-4:O[6]-2:C-2:	C[6,6]-4:C[6]-4:	C[6]-4:N-1:	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C(C[6]O[6]2C)(N)	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]O[6]2C)(N)	110.5090	0.000	1	111.0830	0.253	3	111.0830	0.253	3	109.1007	4.969	6	109.4878	2.384	20	108.8107	7.053	22
466	622	983	0:SP3_SP1_SP3	C[6]	O[6]	C	2:4:2:2:	4:4:	4:1:	O[6]-2:C-4:O[6]-2:C-2:	C[6,6]-4:C[6]-4:	C[6]-4:N-1:	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)	C(C[6]O[6]2C)(N)	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC){2|C<4>,2|H<1>,2|O<2>}	C(C[6]O[6]2C)(N)	111.3700	0.105	2	111.0830	0.253	3	111.0830	0.253	3	109.1007	4.969	6	109.4878	2.384	20	108.8107	7.053	22
466	622	983	0:SP3_SP1_SP3	C[6]	O[6]	C	2:4:2:2:	4:4:	4:1:	O[6]-2:C-4:O[6]-2:C-2:	C[6]-4:C[6]-4:	C[6]-4:N-1:	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN)	O[6](C[6]C[6,6]HH)(C[6]O[6]CC)	C(C[6]O[6]2C)(N)	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN){2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]CC){1|C<4>,1|H<1>,1|O<2>}	C(C[6]O[6]2C)(N)	107.1183	0.617	3	107.1183	0.381	3	107.1183	0.381	3	109.1007	4.969	6	109.4878	2.384	20	108.8107	7.053	22
466	622	983	0:SP3_SP1_SP3	C[6]	O[6]	C	3:2:4:2:	4:4:	4:1:	N[3,6]-3:O[6]-2:C-4:C-2:	C[6]-4:C[6]-4:	C[6]-4:N-1:	C[6](N[3,6]C[3,6]C[3])(O[6]C[6])(CCl3)(CN)	O[6](C[6]N[3,6]CC)(C[6]C[6]HH)	C(C[6]N[3,6]O[6]C)(N)	C[6](N[3,6]C[3,6]C[3])(O[6]C[6])(CCl3)(CN){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6]N[3,6]CC)(C[6]C[6]HH){2|C<4>,2|H<1>}	C(C[6]N[3,6]O[6]C)(N)	109.6680	1.093	2	109.6680	1.195	2	109.6680	1.195	2	109.6680	1.195	2	109.4878	2.384	20	108.8107	7.053	22
466	622	983	0:SP3_SP1_SP3	C[6]	O[6]	C	4:2:2:1:	4:4:	4:1:	C[6]-4:O[6]-2:C-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CN)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(N)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CN)(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]O[6]H)(N)	110.0240	0.000	1	110.0240	0.000	1	110.0240	0.000	1	110.0240	0.000	1	109.4878	2.384	20	108.8107	7.053	22
466	622	983	0:SP3_SP1_SP3	C[6]	O[6]	C	4:2:2:1:	4:4:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CC)(H)	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CC)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CC)(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6]O[6]H)(CC)	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	109.6598	2.870	6	109.4878	2.384	20	108.8107	7.053	22
466	622	983	0:SP3_SP1_SP3	C[6]	O[6]	C	4:2:2:1:	4:4:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CC)(H)	O[6](C[6]C[5,6]CC)(C[6]C[6]CH)	C(C[6]C[6]O[6]H)(CH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CC)(H){1|C<2>,1|H<1>,1|N<3>,2|C<4>}	O[6](C[6]C[5,6]CC)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(CH)	108.3410	0.000	1	108.3410	0.000	1	109.2544	2.355	5	109.6598	2.870	6	109.4878	2.384	20	108.8107	7.053	22
466	622	983	0:SP3_SP1_SP3	C[6]	O[6]	C	4:2:2:1:	4:4:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]BrH)(O[6]C[6])(CC)(H)	O[6](C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[6]O[6]H)(CC[6a])	C[6](C[6]C[6]BrH)(O[6]C[6])(CC)(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]H)(CC[6a])	107.0800	0.000	1	107.0800	0.000	1	109.2544	2.355	5	109.6598	2.870	6	109.4878	2.384	20	108.8107	7.053	22
466	622	983	0:SP3_SP1_SP3	C[6]	O[6]	C	4:2:2:1:	4:4:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(O[6]C[6])(CC)(H)	O[6](C[6]C[6]CH)2	C(C[6]C[6]O[6]H)(CC)	C[6](C[6]C[6]HH)(O[6]C[6])(CC)(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]CH)2{1|C<3>,4|H<1>}	C(C[6]C[6]O[6]H)(CC)	110.5385	0.540	2	110.5385	0.291	2	109.2544	2.355	5	109.6598	2.870	6	109.4878	2.384	20	108.8107	7.053	22
466	622	983	0:SP3_SP1_SP3	C[6]	O[6]	C	4:2:2:1:	4:4:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]HO)(O[6]C[6])(CC)(H)	O[6](C[6]C[6]CH)2	C(C[6]C[6]O[6]H)(CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CC)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]H)(CH)	109.7740	0.000	1	109.7740	0.000	1	109.2544	2.355	5	109.6598	2.870	6	109.4878	2.384	20	108.8107	7.053	22
466	622	983	0:SP3_SP1_SP3	C[6]	O[6]	C	4:2:4:2:	4:4:	4:1:	C[5,6]-4:O[6]-2:C-4:C-2:	C[6]-4:C[6]-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN)	O[6](C[6]C[5,6]CC)(C[6]C[6]CH)	C(C[6]C[5,6]O[6]C)(N)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[6](C[6]C[5,6]CC)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]C)(N)	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	109.4878	2.384	20	108.8107	7.053	22
466	622	992	0:SP3_SP3_SP3	C[6]	O[6]	P	4:2:2:1:	4:4:	3:4:3:1:	P-4:O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:O-1:	C[6](PC[6a]C[6]O)(O[6]C[6])2(H)	O[6](C[6]C[6]HH)(C[6]O[6]HP)	P(C[6a]C[6a]2)(C[6]O[6]2H)(C[6]C[6]2)(O)	C[6](PC[6a]C[6]O)(O[6]C[6])2(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]O[6]HP){1|C<4>,2|H<1>}	P(C[6a]C[6a]2)(C[6]O[6]2H)(C[6]C[6]2)(O)	107.2900	0.007	2	107.2900	0.000	2	107.2900	0.000	2	107.2900	0.000	2	106.1760	3.723	3	106.1760	3.723	3
466	622	992	0:SP3_SP3_SP3	C[6]	O[6]	P	4:2:4:1:	3:4:	4:2:2:1:	C[6]-4:O[6]-2:P-4:H-1:	N[6]-3:C[6]-4:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]HO)(O[6]N[6])(PO3)(H)	O[6](N[6]C[6a]C[6])(C[6]C[6]HP)	P(C[6]C[6]O[6]H)(OC)2(O)	C[6](C[6]C[6]HO)(O[6]N[6])(PO3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](N[6]C[6a]C[6])(C[6]C[6]HP){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	P(C[6]C[6]O[6]H)(OC)2(O)	103.9480	0.000	1	103.9480	0.000	1	103.9480	0.000	1	103.9480	0.000	1	106.1760	3.723	3	106.1760	3.723	3
466	634	762	6:SP3_SP2_SP3	C[6]	Ge[3,6]	C[6]	4:3:1:1:	4:4:4:4:	4:3:4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	C[6]-4:C[6]-3:C-4:	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Br<1>,2|Si<4>,2|C<4>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	110.4750	0.255	2	110.4750	0.065	2	114.0775	7.969	6	114.0775	7.969	6	114.0775	7.969	6	114.0775	7.969	6
466	634	762	6:SP3_SP2_SP3	C[6]	Ge[3,6]	C[6]	4:3:1:1:	4:4:4:4:	4:3:4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	C[6]-4:C[6]-3:C-4:	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Cl<1>,2|Si<4>,2|C<4>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	115.6560	0.341	2	115.6560	0.116	2	114.0775	7.969	6	114.0775	7.969	6	114.0775	7.969	6	114.0775	7.969	6
466	634	762	6:SP3_SP2_SP3	C[6]	Ge[3,6]	C[6]	4:3:1:1:	4:4:4:4:	4:3:4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	C[6]-4:C[6]-3:C-4:	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{2|Si<4>,1|I<1>,2|C<4>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	116.1015	0.728	2	116.1015	0.529	2	114.0775	7.969	6	114.0775	7.969	6	114.0775	7.969	6	114.0775	7.969	6
466	634	951	0:SP3_SP-NON_SP3	C[6]	Ge[3,6]	H	4:3:1:1:	4:4:4:4:	4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	C[6]-4:	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3)	H(C[6]Ge[3,6]C[6]H)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Br<1>,2|Si<4>,2|C<4>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]BrSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]Ge[3,6]C[6]H)	109.5490	0.101	4	109.5490	0.010	4	108.7122	0.398	12	108.7122	0.398	12	108.7122	0.398	12	108.7122	0.398	12
466	634	951	0:SP3_SP-NON_SP3	C[6]	Ge[3,6]	H	4:3:1:1:	4:4:4:4:	4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	C[6]-4:	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3)	H(C[6]Ge[3,6]C[6]H)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Cl<1>,2|Si<4>,2|C<4>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]ClSi)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]Ge[3,6]C[6]H)	108.3628	0.065	4	108.3628	0.004	4	108.7122	0.398	12	108.7122	0.398	12	108.7122	0.398	12	108.7122	0.398	12
466	634	951	0:SP3_SP-NON_SP3	C[6]	Ge[3,6]	H	4:3:1:1:	4:4:4:4:	4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	Ge[3,6]-4:Ge[3]-4:C[6]-4:Si-4:	C[6]-4:	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3)	H(C[6]Ge[3,6]C[6]H)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{2|Si<4>,1|I<1>,2|C<4>}	Ge[3,6](Ge[3,6]Ge[3]C[6]Si)(Ge[3]Ge[3,6]SiI)(C[6]C[6]HH)(SiC3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]Ge[3,6]C[6]H)	108.2248	0.179	4	108.2248	0.032	4	108.7122	0.398	12	108.7122	0.398	12	108.7122	0.398	12	108.7122	0.398	12
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|H<1>,6|C<3>}	111.5315	0.609	2	111.6930	0.565	8	111.6930	0.565	8	111.6930	0.565	8	111.6930	0.565	8	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|F<1>,2|C<4>,3|H<1>,6|C<3>}	111.1720	0.052	2	111.6930	0.565	8	111.6930	0.565	8	111.6930	0.565	8	111.6930	0.565	8	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,4|H<1>,6|C<3>}	112.4075	1.300	2	111.6930	0.565	8	111.6930	0.565	8	111.6930	0.565	8	111.6930	0.565	8	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,6|C<3>}	111.6610	0.523	2	111.6930	0.565	8	111.6930	0.565	8	111.6930	0.565	8	111.6930	0.565	8	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){10|C<3>,1|O<2>}	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|H<1>,4|C<3>}	119.6500	0.000	1	120.0677	0.570	10	116.4790	14.141	20	116.4790	14.141	20	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){10|C<3>,1|O<2>}	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	120.1141	0.785	9	120.0677	0.570	10	116.4790	14.141	20	116.4790	14.141	20	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|H<1>,4|C<3>}	112.7430	0.000	1	112.8903	0.663	10	116.4790	14.141	20	116.4790	14.141	20	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	112.9067	0.862	9	112.8903	0.663	10	116.4790	14.141	20	116.4790	14.141	20	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	112.0200	0.000	1	111.2780	1.180	5	111.7464	1.569	7	112.8360	5.852	9	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|Fe<8>,4|H<1>,5|C<3>}	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	111.6170	0.000	1	111.2780	1.180	5	111.7464	1.569	7	112.8360	5.852	9	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|Se<1>,4|H<1>,5|C<3>}	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	110.2905	1.142	2	111.2780	1.180	5	111.7464	1.569	7	112.8360	5.852	9	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|W<6>,4|H<1>,5|C<3>}	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	112.1720	0.000	1	111.2780	1.180	5	111.7464	1.569	7	112.8360	5.852	9	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a,6a]H)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,2|O<1>,3|C<3>}	113.5710	0.000	1	113.5710	0.000	1	111.7464	1.569	7	112.8360	5.852	9	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,2|O<1>,3|C<3>}	112.2640	0.000	1	112.2640	0.000	1	111.7464	1.569	7	112.8360	5.852	9	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]C[6a,6a]H)	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	116.6090	0.000	1	116.6090	0.000	1	116.6495	0.003	2	112.8360	5.852	9	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]N[6a]H)	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]N[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	116.6900	0.000	1	116.6900	0.000	1	116.6495	0.003	2	112.8360	5.852	9	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]3)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|C<4>,4|H<1>,9|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6a](C[3x6]C[6,6,6a]3)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,7|C<3>}	114.5813	3.146	3	114.5813	9.900	3	114.3793	20.441	9	114.3221	16.678	11	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]3)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|C<4>,5|H<1>,8|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6a](C[3x6]C[6,6,6a]3)(C[6a]C[6a]H)2{1|N<2>,8|C<3>}	114.2783	5.358	6	114.2783	28.710	6	114.3793	20.441	9	114.3221	16.678	11	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]2C[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[3x6]C[6,6,6a]2C[6,6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	114.0645	1.757	2	114.0645	3.088	2	114.0645	3.088	2	114.3221	16.678	11	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:4:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a,6a]-3:C[3x6]-4:C[5,6,6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6])	C[6a](C[3x6]C[6,6,6a]2C[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,9|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6]){10|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[3x6]C[6,6,6a]2C[6,6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,6|C<3>}	111.3530	0.000	1	111.3530	0.000	1	111.3530	0.000	1	109.6365	5.893	2	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:4:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a,6a]-3:C[3x6]-4:C[6,6,6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[6,6a,6a]C[6,6])	C[6a](C[3x6]C[6,6,6a]2C[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,9|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[6,6a,6a]C[6,6]){11|C<3>,1|N<3>,1|O<2>}	C[6a](C[3x6]C[6,6,6a]2C[6,6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,6|C<3>}	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	109.6365	5.893	2	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]2C[3x6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(C[6a]C[6a]2){3|C<4>,5|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cr<9>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[3x6]C[6,6,6a]2C[3x6])(C[6a]C[6a]H)2{1|Cr<9>,2|C<4>,2|H<1>,5|C<3>}	112.6360	5.204	2	112.6360	27.085	2	112.6395	9.793	6	112.6395	9.793	6	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]2C[3x6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2){2|C<4>,6|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[3x6]C[6,6,6a]2C[3x6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,6|C<3>}	112.5535	3.094	2	112.6412	7.294	4	112.6395	9.793	6	112.6395	9.793	6	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]2C[3x6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2){3|C<4>,6|C<3>,7|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[3x6]C[6,6,6a]2C[3x6])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,5|C<3>}	112.7290	3.504	2	112.6412	7.294	4	112.6395	9.793	6	112.6395	9.793	6	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:4:3:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	114.9060	0.276	2	114.9060	0.076	2	114.9060	0.076	2	114.9060	0.076	2	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6a]	3:4:4:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,6|H<1>}	112.7520	0.000	1	112.7520	0.000	1	112.7520	0.000	1	112.7520	0.000	1	114.5161	14.245	51	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[6,6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O[6,6]-2:	C[3x6]-4:C[6a,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6])	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])	C[6,6,6a](C[3x6]C[6,6a]2O[6,6])(C[6,6a]C[6a]O[6])2	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6]){1|C<4>,1|N<3>,2|O<2>,8|C<3>}	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6]){2|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6a]2O[6,6])(C[6,6a]C[6a]O[6])2{1|C<4>,2|H<1>,5|C<3>}	114.9410	0.000	1	114.9410	0.000	1	114.9410	0.000	1	114.9410	0.000	1	114.9410	0.000	1	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O[6,6]-2:	C[3x6]-4:C[6a,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6a,6a]-3:C[6,6a]-3:	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6])	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6]){1|C<4>,1|N<3>,2|O<2>,8|C<3>}	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6]){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6]){1|C<4>,2|H<1>,7|C<3>}	115.0850	0.000	1	115.0850	0.000	1	115.0850	0.000	1	115.0850	0.000	1	111.2664	2.592	17	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6](C[6,6a]C[6,6a]C[6a])3(C[3x6]C[6,6a]3)	C[6,6a](C[3x6]C[6,6a]2C[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[3x6]C[6,6a]2C[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])3(C[3x6]C[6,6a]3){12|C<3>,3|H<1>}	C[6,6a](C[3x6]C[6,6a]2C[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,9|C<3>}	C[6,6a](C[3x6]C[6,6a]2C[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,9|C<3>}	111.0945	1.275	12	111.0945	1.625	12	111.0945	1.625	12	111.0945	1.625	12	111.2664	2.592	17	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[6,6a]	3:3:3:5:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:P[3x6]-5:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6](C[6,6a]C[6,6a]C[6a])3(P[3x6]O[6]3H)	C[6,6a](C[3x6]C[6,6a]2P[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[3x6]C[6,6a]2P[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])3(P[3x6]O[6]3H){3|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[3x6]C[6,6a]2P[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[3x6]C[6,6a]2P[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|O<2>,4|H<1>,5|C<3>}	110.0500	0.566	3	110.0500	0.320	3	110.0500	0.320	3	110.0500	0.320	3	111.2664	2.592	17	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[6,6a]	3:3:4:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:O[6]-2:	C[6,6a,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6]O[6]2)(O[6]C[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[3x6]O[6])(C[6a]C[6a]O)	C[6,6a](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6]O[6]2)(O[6]C[6]){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[3x6]O[6])(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	113.1600	0.000	1	113.1600	0.000	1	113.1600	0.000	1	113.1600	0.000	1	111.2664	2.592	17	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[4x6]	C[6,6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6]-3:C[6,6a]-3:C[5x6]-3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6])	C[6,6,6a](C[4x6]C[6,6a]C[5x6]C[6,6])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[4x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6]){2|Si<4>,2|C<4>,2|H<1>,8|C<3>}	C[6,6,6a](C[4x6]C[6,6a]C[5x6]C[6,6])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[4x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,6|C<3>}	112.8580	0.000	1	112.8580	0.000	1	112.8580	0.000	1	112.8580	0.000	1	112.8580	0.000	1	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[4x6]	C[6,6a]	C[6,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[6,6a](C[4x6]C[6,6,6a]C[4x6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6,6a](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[4x6]C[6,6,6a]C[4x6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|H<1>,6|C<3>}	115.2045	0.206	2	115.2045	0.042	2	115.2045	0.042	2	115.2045	0.042	2	115.2045	0.042	2	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6a]	3:3:3:2:	3:3:4:	4:3:2:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-2:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6a]C[6]N[6])	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6a]C[6]N[6]){1|N<2>,1|O<1>,9|C<3>}	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,5|C<3>}	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	110.4224	7.919	5	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6a]	3:3:3:3:	3:3:4:	4:3:2:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[3x6])(C[6,6]C[6a]C[6]N[6])	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[3x6])(C[6,6]C[6a]C[6]N[6]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,8|C<3>}	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	107.3920	0.000	1	107.3920	0.000	1	107.3920	0.000	1	107.3920	0.000	1	110.4224	7.919	5	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6a]	3:3:3:3:	3:3:4:	4:3:3:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6a]C[6])	C[6a](C[6,6]C[6,6,6a]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,1|C<4>,2|H<1>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6a]C[6]){11|C<3>,1|N<2>}	C[6a](C[6,6]C[6,6,6a]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	110.4224	7.919	5	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6a]	3:4:3:3:	3:3:4:	4:3:2:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6])	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,2|H<1>,8|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6]){1|C<4>,1|N<2>,2|H<1>,9|C<3>}	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	113.9570	0.000	1	113.3405	0.760	2	113.3405	0.760	2	113.3405	0.760	2	110.4224	7.919	5	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6a]	3:4:3:3:	3:3:4:	4:3:2:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6])	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){2|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6]){1|C<4>,1|N<2>,2|H<1>,9|C<3>}	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	112.7240	0.000	1	113.3405	0.760	2	113.3405	0.760	2	113.3405	0.760	2	110.4224	7.919	5	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:2:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H)	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,3|C<3>}	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:2:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(CF3)	C[6,6a](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(CF3){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H){2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6]){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	116.4010	0.000	1	116.4010	0.000	1	116.4010	0.000	1	116.4010	0.000	1	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(H){4|O<2>,6|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	121.1830	0.000	1	121.1830	0.000	1	121.1830	0.000	1	114.9482	47.960	5	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H){1|N<3>,2|O<2>,7|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6]){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	123.5500	0.000	1	123.5500	0.000	1	123.5500	0.000	1	114.9482	47.960	5	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[5])(H)	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[5])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	108.1520	0.000	1	108.1520	0.000	1	110.0027	2.800	3	114.9482	47.960	5	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6])(H)	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	110.4470	0.000	1	110.4470	0.000	1	110.0027	2.800	3	114.9482	47.960	5	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6a])(H)	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6a])(H){2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<3>,2|H<1>,4|C<3>}	111.4090	0.000	1	111.4090	0.000	1	110.0027	2.800	3	114.9482	47.960	5	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|C<2>,1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	111.6560	0.000	1	111.6560	0.000	1	111.6560	0.000	1	111.6560	0.000	1	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|C<4>,1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|C<4>,7|C<3>}	107.8810	0.806	4	107.5311	0.713	8	107.8047	1.172	48	107.8047	1.172	48	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|C<4>,1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	107.1813	0.830	4	107.5311	0.713	8	107.8047	1.172	48	107.8047	1.172	48	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{2|N<3>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	108.7733	0.601	8	108.7733	0.362	8	107.8047	1.172	48	107.8047	1.172	48	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	107.7370	0.541	12	107.7370	0.293	12	107.8047	1.172	48	107.8047	1.172	48	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{2|H<1>,4|O<2>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	109.1770	0.000	1	109.1770	0.000	1	107.8047	1.172	48	107.8047	1.172	48	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])4{2|H<1>,4|O<2>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O){2|H<1>,7|C<3>}	108.7570	0.998	2	108.7570	0.997	2	107.8047	1.172	48	107.8047	1.172	48	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])4{2|H<1>,4|O<2>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O){2|H<1>,7|C<3>}	111.0730	0.000	1	111.0730	0.000	1	107.8047	1.172	48	107.8047	1.172	48	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	107.6250	0.849	8	107.6250	0.720	8	107.8047	1.172	48	107.8047	1.172	48	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|S<2>,1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	106.5731	0.694	8	106.5731	0.482	8	107.8047	1.172	48	107.8047	1.172	48	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[5a,6]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]N[5a,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]N[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	108.8540	0.000	1	108.8540	0.000	1	108.8540	0.000	1	108.8540	0.000	1	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H)	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H){1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	111.9040	1.477	4	111.9040	2.183	4	111.9040	2.183	4	111.9040	2.183	4	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,9|C<3>}	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	109.6230	1.937	2	109.6230	3.754	2	110.5789	3.399	10	110.5789	3.399	10	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|O<2>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,9|C<3>}	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	110.6328	2.137	4	110.8179	3.508	8	110.5789	3.399	10	110.5789	3.399	10	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|O<2>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,9|C<3>}	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	111.0030	1.878	4	110.8179	3.508	8	110.5789	3.399	10	110.5789	3.399	10	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])2(C[3x6]C[3x6]C[6]H)(H){1|H<1>,4|O<2>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6a]O[6]){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6a]O[6]){2|C<4>,3|H<1>,5|C<3>}	110.4240	0.000	1	110.4240	0.000	1	110.4240	0.000	1	110.4240	0.000	1	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	117.9810	0.000	1	117.9810	0.000	1	117.9810	0.000	1	113.3372	22.376	4	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a,6a]O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a,6a]O){1|N<2>,2|C<4>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	116.8260	0.000	1	116.8260	0.000	1	116.8260	0.000	1	113.3372	22.376	4	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6]){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	109.6730	0.000	1	109.6730	0.000	1	109.2710	0.323	2	113.3372	22.376	4	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	108.8690	0.000	1	108.8690	0.000	1	109.2710	0.323	2	113.3372	22.376	4	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H){4|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){3|C<4>,4|C<3>}	110.5950	0.000	1	109.0907	4.336	3	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){3|C<4>,4|C<3>}	108.3385	2.297	2	109.0907	4.336	3	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	112.9280	0.755	2	112.9280	0.570	2	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	111.5880	0.000	1	111.5880	0.000	1	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	109.7010	0.000	1	109.7010	0.000	1	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	108.6390	0.000	1	108.6390	0.000	1	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	111.0390	0.000	1	110.9887	0.011	3	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	110.8680	0.000	1	110.9887	0.011	3	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	111.0590	0.000	1	110.9887	0.011	3	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,3|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	112.2640	0.000	1	112.2640	0.000	1	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	109.0130	0.000	1	109.0130	0.000	1	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	110.0360	0.000	1	109.5060	0.156	4	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	109.3293	0.217	3	109.5060	0.156	4	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	112.8280	0.000	1	112.8280	0.000	1	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.8500	0.000	1	113.8500	0.000	1	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<2>,2|C<4>,4|C<3>}	116.7820	0.000	1	116.7820	0.000	1	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,3|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){2|C<4>,5|C<3>}	116.6513	0.622	3	116.6513	0.387	3	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<2>,3|C<3>,4|C<4>}	114.5710	0.161	2	115.1425	0.471	4	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){4|C<3>,4|C<4>}	115.7140	0.284	2	115.1425	0.471	4	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	115.9620	0.000	1	114.8660	0.945	3	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,3|C<3>,3|O<2>,5|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	114.3180	0.296	2	114.8660	0.945	3	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	114.8610	0.000	1	114.8610	0.000	1	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	119.0020	0.000	1	119.0020	0.000	1	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>,2|O<2>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,3|C<4>,4|C<3>}	113.5640	0.000	1	114.5795	2.062	2	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|H<1>,2|N<3>,2|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,3|C<4>,4|C<3>}	115.5950	0.000	1	114.5795	2.062	2	112.8508	9.049	34	112.8254	8.805	35	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	112.6170	0.000	1	112.6170	0.000	1	112.6170	0.000	1	112.6170	0.000	1	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6a]C[6]2)(OC)	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6a]C[6]2)(OC){4|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,3|H<1>,7|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	108.3240	0.000	1	108.3125	0.000	2	108.3125	0.000	2	108.3125	0.000	2	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	108.3010	0.000	1	108.3125	0.000	2	108.3125	0.000	2	108.3125	0.000	2	110.4937	11.872	118	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6a]	3:2:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:O[6,6]-2:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6])	C[6,6a](C[6,6]O[6,6]C[6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6]C[6,6a]O[6,6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6]){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]O[6,6]C[6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6]C[6,6a]O[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	114.4605	0.218	2	114.4605	0.048	2	114.4605	0.048	2	114.4605	0.048	2	112.1863	4.143	6	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,6|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	112.1863	4.143	6	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6]-4:C[5a,6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5a,6a]C[5a,6a,6a]C[5a])	C[6a](C[6,6]C[6,6,6a]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5a,6a]C[5a,6a,6a]C[5a]){10|C<3>,1|N<2>,1|O<1>}	C[6a](C[6,6]C[6,6,6a]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	112.1863	4.143	6	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:N[6,6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2)	C[6,6a](C[6,6]N[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6]C[6,6a]N[6,6]C[6])(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6]C[6,6a]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	112.1863	4.143	6	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6a]	3:4:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6]C[6,6a]C[6,6]C[6])(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6]C[6,6a]C[6,6]C[6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	112.1863	4.143	6	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6,6]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	B[6,6,6a]-4:C[6,6]-3:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2	C[6a](C[6,6]B[6,6,6a]C[6,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6,6]B[6,6,6a]C[6,6]C[6a])(C[6a]C[6a]H)2	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2{2|N<3>,4|H<1>,9|C<3>}	C[6a](C[6,6]B[6,6,6a]C[6,6]C[6a])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6]B[6,6,6a]C[6,6]C[6a])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,6|C<3>}	112.2365	0.354	2	112.2365	0.126	2	112.2365	0.126	2	112.2365	0.126	2	112.2365	0.126	2	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:2:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:O[6]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.5260	0.824	2	113.5260	0.680	2	113.5260	0.680	2	113.5260	0.680	2	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6a]O[6]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6a]O[6]H){8|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	112.8030	0.000	1	112.8030	0.000	1	112.8030	0.000	1	112.8030	0.000	1	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:2:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a])	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Br<1>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a]){1|C<2>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	114.1660	0.000	1	114.1660	0.000	1	114.1035	0.008	2	114.1035	0.008	2	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:2:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a])	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a]){1|C<2>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,3|C<3>}	114.0410	0.000	1	114.0410	0.000	1	114.1035	0.008	2	114.1035	0.008	2	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	110.1530	0.000	1	110.1530	0.000	1	109.6690	0.469	2	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N){1|H<1>,4|C<3>}	109.1850	0.000	1	109.1850	0.000	1	109.6690	0.469	2	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.5280	0.000	1	113.5280	0.000	1	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a,6a]P)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|P<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a,6a]P){7|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.6270	0.000	1	115.6270	0.000	1	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.3210	0.000	1	114.3210	0.000	1	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	110.8890	0.000	1	110.8890	0.000	1	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	116.0310	0.000	1	116.0310	0.000	1	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	116.1280	0.000	1	116.1280	0.000	1	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,4|C<3>}	114.7490	0.000	1	114.2330	1.442	9	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.1907	0.782	3	114.2330	1.442	9	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	115.2740	0.000	1	114.2330	1.442	9	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.3855	0.066	2	114.2330	1.442	9	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	112.8655	1.016	2	114.2330	1.442	9	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,4|C<3>}	114.9570	0.000	1	114.4723	0.309	3	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	114.5950	0.000	1	114.4723	0.309	3	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|O<2>,4|C<3>}	113.8650	0.000	1	114.4723	0.309	3	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.4880	0.000	1	114.4880	0.000	1	114.3435	1.812	19	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:S[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]S[6]H)(C[6a]C[6a,6a]O)	C[6a](C[6]C[6,6a]S[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]S[6]H)(C[6a]C[6a,6a]O){6|C<3>}	C[6a](C[6]C[6,6a]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.3495	0.442	2	114.3495	0.195	2	114.3495	0.195	2	113.9375	3.327	23	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	113.0590	0.000	1	113.0590	0.000	1	113.0590	0.000	1	112.1935	1.498	2	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]N)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]N)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]N)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]O[6]N)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	111.3280	0.000	1	111.3280	0.000	1	111.3280	0.000	1	112.1935	1.498	2	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:P-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]P)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]P)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]P)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[6]P)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	112.5895	1.213	11	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	112.1900	0.000	1	111.9307	0.486	3	112.8162	0.719	10	112.5895	1.213	11	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	111.8010	0.933	2	111.9307	0.486	3	112.8162	0.719	10	112.5895	1.213	11	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.7850	0.000	1	113.7850	0.000	1	112.8162	0.719	10	112.5895	1.213	11	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	112.9480	0.000	1	113.3550	0.124	3	112.8162	0.719	10	112.5895	1.213	11	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.5500	0.000	1	113.3550	0.124	3	112.8162	0.719	10	112.5895	1.213	11	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.5670	0.000	1	113.3550	0.124	3	112.8162	0.719	10	112.5895	1.213	11	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6,6a]C[3])(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6,6a]C[3])(C[6a]O[6a]O){1|H<1>,2|C<4>,5|C<3>}	112.8750	0.000	1	112.8750	0.000	1	112.8162	0.719	10	112.5895	1.213	11	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	112.8225	1.042	2	112.8225	1.085	2	112.8162	0.719	10	112.5895	1.213	11	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H){1|N<2>,7|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	109.1100	0.000	1	110.3470	3.060	2	110.3470	3.060	2	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H){1|N<2>,7|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.5840	0.000	1	110.3470	3.060	2	110.3470	3.060	2	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	110.7080	0.663	2	110.7080	0.440	2	112.7741	2.502	18	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|F<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)2{2|H<1>,5|C<3>}	112.8850	0.000	1	112.8850	0.000	1	112.7741	2.502	18	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	113.5827	1.265	7	112.7369	2.373	11	112.7741	2.502	18	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	111.0310	0.000	1	112.7369	2.373	11	112.7741	2.502	18	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.3320	0.385	3	112.7369	2.373	11	112.7741	2.502	18	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	113.9980	0.000	1	113.8817	1.633	4	112.7741	2.502	18	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	113.8430	1.562	3	113.8817	1.633	4	112.7741	2.502	18	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	114.6590	0.000	1	114.4913	0.041	3	114.1360	0.948	21	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	114.4075	0.200	2	114.4913	0.041	3	114.1360	0.948	21	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|H<1>,3|C<3>}	115.1280	0.000	1	115.1280	0.000	1	114.1360	0.948	21	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	114.7980	0.000	1	114.2960	1.774	9	114.1360	0.948	21	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	113.4240	0.297	2	114.2960	1.774	9	114.1360	0.948	21	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	113.7360	0.000	1	114.2960	1.774	9	114.1360	0.948	21	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	113.9520	0.000	1	114.2960	1.774	9	114.1360	0.948	21	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	114.8325	1.893	4	114.2960	1.774	9	114.1360	0.948	21	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H){1|N<3>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|P<5>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|P<5>,3|C<3>,3|H<1>}	113.8455	0.566	2	113.8455	0.321	2	114.1360	0.948	21	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	113.9290	0.000	1	113.9290	0.000	1	114.1360	0.948	21	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	113.4573	0.489	4	113.5942	0.273	5	114.1360	0.948	21	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	114.1420	0.000	1	113.5942	0.273	5	114.1360	0.948	21	113.3533	2.538	41	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6]C[6,6a]2H)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	109.4035	0.009	2	109.4035	0.000	2	109.4035	0.000	2	109.6863	0.240	3	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	109.6863	0.240	3	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6]){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	114.6870	0.000	1	114.6870	0.000	1	114.6870	0.000	1	114.6870	0.000	1	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|Br<1>,5|C<3>}	111.1455	2.027	2	111.4848	1.525	4	111.4848	1.525	4	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.8670	0.000	1	111.4848	1.525	4	111.4848	1.525	4	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	111.7810	0.000	1	111.4848	1.525	4	111.4848	1.525	4	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	113.8200	0.000	1	112.5370	3.292	2	112.5370	3.292	2	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.2540	0.000	1	112.5370	3.292	2	112.5370	3.292	2	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.9820	0.000	1	110.9820	0.000	1	110.8250	0.972	3	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	109.7700	0.000	1	109.7700	0.000	1	110.8250	0.972	3	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	111.7230	0.000	1	111.7230	0.000	1	110.8250	0.972	3	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.0450	0.358	2	109.0450	0.128	2	109.0450	0.128	2	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	112.3430	0.000	1	112.3430	0.000	1	111.3204	2.796	8	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	113.7930	0.000	1	113.7930	0.000	1	111.3204	2.796	8	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.0372	1.386	5	110.7378	2.075	6	111.3204	2.796	8	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	109.2410	0.000	1	110.7378	2.075	6	111.3204	2.796	8	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.8400	0.000	1	118.8400	0.000	1	118.8400	0.000	1	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H){8|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	111.9930	0.000	1	111.9930	0.000	1	111.9930	0.000	1	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.3140	0.000	1	111.3140	0.000	1	110.3543	1.246	9	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	C[6a](C[6]C[6,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	110.0620	1.615	2	110.0620	2.608	2	110.3543	1.246	9	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.2918	1.118	6	110.2918	1.250	6	110.3543	1.246	9	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|C<2>,1|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	110.0740	0.000	1	109.6215	0.410	2	109.6215	0.410	2	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|C<4>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.1690	0.000	1	109.6215	0.410	2	109.6215	0.410	2	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.1340	0.000	1	110.1340	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|H<1>,5|C<3>}	108.2300	0.000	1	108.2300	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	110.0290	0.000	1	110.0290	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	110.3490	0.000	1	111.1735	2.517	15	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	113.9545	0.617	2	111.1735	2.517	15	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	112.1923	1.112	3	111.1735	2.517	15	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	111.0655	1.418	2	111.1735	2.517	15	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	110.4420	0.354	2	111.1735	2.517	15	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	109.3720	0.000	1	111.1735	2.517	15	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.7615	1.247	2	111.1735	2.517	15	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.4290	0.047	2	111.1735	2.517	15	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	110.5910	0.000	1	110.9292	2.692	8	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	111.5475	0.853	2	110.9292	2.692	8	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	114.2840	0.000	1	110.9292	2.692	8	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.8660	0.698	4	110.9292	2.692	8	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.6300	0.000	1	110.6300	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.1730	0.000	1	111.1730	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.0000	0.000	1	112.5075	4.545	2	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	114.0150	0.000	1	112.5075	4.545	2	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.3857	0.453	6	110.3857	0.205	6	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.5270	0.000	1	113.5270	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	112.0290	0.000	1	112.0290	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)2{1|C<2>,2|H<1>,4|C<3>}	111.2850	0.000	1	111.2850	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	113.7870	0.000	1	112.3160	2.901	7	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,4|C<3>}	110.6280	0.000	1	112.3160	2.901	7	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	112.4600	0.000	1	112.3160	2.901	7	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	111.3900	0.000	1	112.3160	2.901	7	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.9280	0.000	1	112.3160	2.901	7	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	115.3450	0.000	1	112.3160	2.901	7	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	111.6740	0.000	1	112.3160	2.901	7	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	113.1590	0.000	1	113.1590	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	109.4680	0.000	1	109.4680	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	112.7580	0.000	1	112.7580	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	107.6920	0.000	1	108.6500	1.836	2	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.6080	0.000	1	108.6500	1.836	2	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	112.7270	0.000	1	112.7270	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){3|H<1>,4|C<3>}	112.7690	0.000	1	112.7690	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	111.0800	0.000	1	111.0800	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6,6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6,6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	112.6993	1.119	6	112.6993	1.253	6	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	113.9140	1.258	6	113.9140	1.583	6	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	110.8150	0.000	1	110.8150	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	113.5520	0.000	1	113.1100	0.391	2	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	112.6680	0.000	1	113.1100	0.391	2	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	113.5090	0.000	1	113.5090	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl){1|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	113.9000	0.055	2	113.9000	0.003	2	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|N<3>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,5|C<3>}	111.6470	0.438	3	111.6470	0.192	3	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|N<3>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	109.3300	0.000	1	109.3300	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	108.8910	0.000	1	108.8910	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	110.8130	0.000	1	110.8130	0.000	1	111.6266	3.063	78	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]C)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]C)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|H<1>,3|C<4>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]C)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.8800	1.698	2	116.8800	2.885	2	116.8800	2.885	2	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	110.1280	0.382	2	110.1280	0.146	2	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	113.0000	0.000	1	112.7819	4.328	7	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	111.8800	3.213	3	112.7819	4.328	7	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	113.2985	0.425	2	112.7819	4.328	7	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	114.2360	0.000	1	112.7819	4.328	7	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	113.4470	0.000	1	113.4470	0.000	1	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	115.0070	0.280	2	115.0070	0.078	2	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){2|C<4>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	113.9850	0.000	1	113.9850	0.000	1	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	111.1270	0.000	1	112.9772	2.628	8	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	113.3512	1.889	5	112.9772	2.628	8	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	112.9675	0.040	2	112.9772	2.628	8	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	114.7720	0.000	1	114.8220	0.005	2	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	114.8720	0.000	1	114.8220	0.005	2	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	114.8980	0.000	1	114.8980	0.000	1	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	116.2870	0.000	1	116.2870	0.000	1	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	112.9990	0.000	1	112.9990	0.000	1	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	115.7420	0.000	1	115.7420	0.000	1	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	114.9230	0.000	1	114.9230	0.000	1	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[5,6a]H){1|O<2>,1|S<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<3>,2|H<1>,4|C<3>}	111.8298	1.347	4	111.8298	1.813	4	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]C)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	114.9720	0.000	1	114.9720	0.000	1	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|S<3>,4|C<3>}	111.8640	0.000	1	113.8172	1.752	5	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	114.3345	0.339	2	113.8172	1.752	5	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	115.3060	0.000	1	113.8172	1.752	5	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|S<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	113.2470	0.000	1	113.8172	1.752	5	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,4|C<3>}	113.2380	0.000	1	113.2380	0.000	1	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|S<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	115.5610	0.000	1	115.5610	0.000	1	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){2|Cl<1>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	113.0950	0.000	1	113.0950	0.000	1	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	114.2930	0.000	1	114.2930	0.000	1	113.4060	3.157	42	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,4|C<3>}	113.9730	0.000	1	113.9730	0.000	1	113.9730	0.000	1	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]C[6])	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,4|C<3>}	114.6460	0.000	1	114.6460	0.000	1	114.6460	0.000	1	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	114.6040	0.147	2	114.6916	0.254	7	114.6916	0.254	7	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	114.3400	0.000	1	114.6916	0.254	7	114.6916	0.254	7	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	114.3635	0.504	2	114.6916	0.254	7	114.6916	0.254	7	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	115.2830	0.444	2	114.6916	0.254	7	114.6916	0.254	7	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	114.3330	0.000	1	114.3330	0.000	1	112.5840	2.113	24	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	114.1250	0.000	1	114.1250	0.000	1	112.5840	2.113	24	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	114.4000	0.000	1	114.4000	0.000	1	112.5840	2.113	24	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	113.2230	0.000	1	112.8325	0.305	2	112.5840	2.113	24	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	112.4420	0.000	1	112.8325	0.305	2	112.5840	2.113	24	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	110.4560	0.000	1	110.4560	0.000	1	112.5840	2.113	24	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|C<4>,5|C<3>}	111.7420	0.559	2	111.7420	0.312	2	112.5840	2.113	24	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	112.0510	0.694	2	112.0510	0.482	2	112.5840	2.113	24	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)2{1|C<4>,2|H<1>,4|C<3>}	112.3990	1.898	4	112.3990	3.603	4	112.5840	2.113	24	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,4|C<3>}	113.6483	0.870	3	112.4871	2.538	9	112.5840	2.113	24	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|F<1>,4|C<3>}	110.8500	2.960	2	112.4871	2.538	9	112.5840	2.113	24	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	112.4348	0.452	4	112.4871	2.538	9	112.5840	2.113	24	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	113.4720	0.000	1	113.4720	0.000	1	112.5840	2.113	24	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5a,6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(C[6a]C[6a]H){2|C<2>,6|C<3>}	C[6a](C[6]C[6,6a]N[5a,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.8795	0.545	2	110.8795	0.297	2	110.8795	0.297	2	112.2532	4.088	190	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	112.9220	0.000	1	113.5660	0.829	2	113.5660	0.829	2	112.8667	2.016	4	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	114.2100	0.000	1	113.5660	0.829	2	113.5660	0.829	2	112.8667	2.016	4	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6a]2H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6a]2H)(C[6a]O[6a]O){6|C<3>}	110.8900	0.000	1	110.8900	0.000	1	112.1675	3.264	2	112.8667	2.016	4	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6a]2H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6a]2H)(C[6a]O[6a]O){6|C<3>}	113.4450	0.000	1	113.4450	0.000	1	112.1675	3.264	2	112.8667	2.016	4	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N)	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N){1|C<4>,5|C<3>}	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	112.7420	0.000	1	112.7420	0.000	1	112.4380	0.185	2	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){6|C<3>}	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	112.1340	0.000	1	112.1340	0.000	1	112.4380	0.185	2	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	113.1220	0.000	1	113.1220	0.000	1	113.1220	0.000	1	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	109.9670	0.000	1	109.9670	0.000	1	110.6054	0.895	13	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.8563	0.641	3	110.8563	0.411	3	110.6054	0.895	13	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.0230	0.000	1	111.0230	0.000	1	110.6054	0.895	13	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	112.5510	0.000	1	112.5510	0.000	1	110.6054	0.895	13	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.4320	0.000	1	109.8720	0.160	3	110.6054	0.895	13	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.2140	0.000	1	109.8720	0.160	3	110.6054	0.895	13	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.9700	0.000	1	109.8720	0.160	3	110.6054	0.895	13	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	110.4200	0.000	1	110.5360	1.136	4	110.6054	0.895	13	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.5747	1.302	3	110.5360	1.136	4	110.6054	0.895	13	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	122.6720	0.000	1	122.6720	0.000	1	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	116.0101	1.644	8	116.0101	2.701	8	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	115.7662	1.350	8	115.7662	1.823	8	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	109.2740	0.615	2	109.2740	0.378	2	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]O){2|H<1>,5|C<3>}	110.1535	0.158	2	110.1535	0.025	2	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	115.1410	0.632	2	115.1410	0.400	2	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]I[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|I<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]I[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	112.0320	2.524	2	112.0320	6.372	2	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.7177	0.906	4	111.5168	0.509	8	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Li<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.3570	0.023	2	111.5168	0.509	8	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.2745	0.879	2	111.5168	0.509	8	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.5890	2.845	2	111.5890	8.096	2	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	112.9225	1.819	2	112.9225	3.310	2	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,5|N<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O){2|C<4>,5|C<3>}	113.2290	0.000	1	113.2290	0.000	1	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,2|N<2>,2|O<2>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.4930	0.000	1	110.4820	1.877	3	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.9765	1.513	2	110.4820	1.877	3	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|P<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	109.7315	1.324	2	109.7315	1.754	2	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.1893	1.827	4	109.1893	3.338	4	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,2|N<2>,2|O<2>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N){5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	112.3190	0.000	1	112.3190	0.000	1	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,5|N<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O){2|C<4>,5|C<3>}	112.0570	0.000	1	112.0570	0.000	1	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.5120	0.000	1	110.5120	0.000	1	112.9405	9.777	50	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	110.6180	0.000	1	110.6180	0.000	1	111.3715	0.637	4	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	111.4355	0.971	2	111.4355	0.943	2	111.3715	0.637	4	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.9970	0.000	1	111.9970	0.000	1	111.3715	0.637	4	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2{1|Si<5>,2|H<1>,4|C<3>}	110.1585	0.257	2	110.1585	0.066	2	110.1585	0.066	2	112.3430	7.930	72	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H){3|H<1>,6|C<3>}	112.3385	1.500	2	112.3385	2.249	2	112.3105	0.821	4	112.3105	0.821	4	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H){3|H<1>,6|C<3>}	112.2825	0.457	2	112.2825	0.209	2	112.3105	0.821	4	112.3105	0.821	4	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.0080	0.000	1	108.5355	0.447	2	108.5355	0.447	2	111.1185	7.542	6	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H){8|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	108.0630	0.000	1	108.5355	0.447	2	108.5355	0.447	2	111.1185	7.542	6	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	114.5320	0.000	1	114.5320	0.000	1	114.5320	0.000	1	111.1185	7.542	6	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]O[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,5|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	113.0705	0.138	2	113.0705	0.019	2	113.0705	0.019	2	111.1185	7.542	6	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	108.9670	0.000	1	108.9670	0.000	1	108.9670	0.000	1	111.1185	7.542	6	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2O)(C[6a]C[6a]H){2|H<1>,7|C<3>}	112.0973	0.672	6	112.0973	0.451	6	112.0973	0.451	6	112.0973	0.451	6	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[5a,6]C[6,6a]O)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[6,6a]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.0090	0.000	1	111.0090	0.000	1	111.0090	0.000	1	110.8640	2.328	62	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.7310	0.909	2	112.7310	0.827	2	112.7310	0.827	2	110.8640	2.328	62	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	113.3795	1.696	2	113.3795	2.878	2	110.7966	2.350	58	110.8640	2.328	62	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.0805	3.487	2	110.0805	12.157	2	110.7966	2.350	58	110.8640	2.328	62	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	110.1225	0.040	2	110.1225	0.002	2	110.7966	2.350	58	110.8640	2.328	62	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	110.4165	0.165	2	110.4165	0.027	2	110.7966	2.350	58	110.8640	2.328	62	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.0645	0.422	2	110.0645	0.178	2	110.7966	2.350	58	110.8640	2.328	62	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	108.9761	0.676	10	109.0336	0.507	12	110.7966	2.350	58	110.8640	2.328	62	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.3210	1.126	2	109.0336	0.507	12	110.7966	2.350	58	110.8640	2.328	62	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.3495	0.059	2	109.3495	0.003	2	110.7966	2.350	58	110.8640	2.328	62	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,5|C<3>}	110.7955	1.945	2	110.7955	3.784	2	110.7966	2.350	58	110.8640	2.328	62	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	110.2845	0.890	2	111.5432	1.076	32	110.7966	2.350	58	110.8640	2.328	62	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.6271	1.003	30	111.5432	1.076	32	110.7966	2.350	58	110.8640	2.328	62	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH)	C[6,6a](C[6]N[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6]N[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,4|C<3>}	110.8970	0.000	1	110.8970	0.000	1	110.8970	0.000	1	110.8640	2.328	62	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]C[6a]2)(C[6a]C[5a,6a]Cl)	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|Cl<1>,1|C<4>,5|H<1>,8|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]C[6a]2)(C[6a]C[5a,6a]Cl){10|C<3>,1|S<2>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	110.0310	0.955	2	110.0310	0.911	2	110.0310	0.911	2	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	109.3787	2.734	8	109.0791	4.589	20	109.0791	4.589	20	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,9|C<3>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	108.8793	1.749	12	109.0791	4.589	20	109.0791	4.589	20	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|Cl<1>,1|C<4>,5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	109.3030	2.901	2	109.3030	8.413	2	109.3030	8.413	2	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH){4|O<2>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	108.8900	0.000	1	108.8900	0.000	1	108.8900	0.000	1	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2{1|N<3>,2|C<4>,6|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	109.0420	3.530	2	109.0420	12.460	2	109.0420	12.460	2	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N){1|C<4>,1|N<2>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	109.8025	1.846	2	109.8025	3.409	2	110.3653	1.699	8	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O){1|S<4>,5|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	110.1255	1.203	2	110.1255	1.447	2	110.3653	1.699	8	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	111.3885	0.394	2	111.3885	0.155	2	110.3653	1.699	8	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	111.5480	0.000	1	110.1445	3.940	2	110.3653	1.699	8	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,3|O<2>,5|C<3>}	108.7410	0.000	1	110.1445	3.940	2	110.3653	1.699	8	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	110.9300	0.000	1	110.9300	0.000	1	111.4322	3.764	6	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	111.4125	0.339	2	111.4125	0.115	2	111.4322	3.764	6	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	115.1100	0.000	1	115.1100	0.000	1	111.4322	3.764	6	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	109.8640	0.098	2	109.8640	0.010	2	111.4322	3.764	6	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:N[5a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2){1|O<1>,2|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]N[5a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6]C[6,6a]N[5a]C[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|N<3>,4|C<3>}	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	111.7140	0.016	2	111.7140	0.000	2	111.5320	0.810	4	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	111.3500	1.516	2	111.3500	2.298	2	111.5320	0.810	4	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	3:4:3:	4:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:C-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a,6]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5a,6]C)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a,6]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]N[5a,6]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	107.2330	0.000	1	107.2330	0.000	1	107.2330	0.000	1	109.8265	4.178	47	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6,6a](C[6]C[5a,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[5a,6]C[6,6a]C[6a])(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,1|N<3>,5|H<1>,8|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6]C[5a,6]C[6,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	108.5700	2.172	2	108.5700	4.719	2	108.5700	4.719	2	109.1485	2.226	63	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2{1|C<2>,1|C<4>,5|H<1>,8|C<3>}	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,8|C<3>}	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	109.2968	0.658	6	109.2968	0.433	6	109.2968	0.433	6	109.1485	2.226	63	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	109.7401	1.258	8	109.3877	3.269	32	109.4164	3.005	36	109.1485	2.226	63	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	109.2702	1.967	24	109.3877	3.269	32	109.4164	3.005	36	109.1485	2.226	63	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|O<2>,6|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	109.6463	1.092	4	109.6463	1.191	4	109.4164	3.005	36	109.1485	2.226	63	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	108.8415	0.090	2	108.8415	0.008	2	108.6548	0.999	19	109.1485	2.226	63	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	108.6539	1.088	16	108.6539	1.185	16	108.6548	0.999	19	109.1485	2.226	63	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH){4|O<2>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	108.2960	0.000	1	108.2960	0.000	1	108.6548	0.999	19	109.1485	2.226	63	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:3:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6]C[6,6a]C[6a]C)	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6]C[6,6a]C[6a]C){1|O<1>,9|C<3>}	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.5800	0.000	1	110.5800	0.000	1	110.5800	0.000	1	109.4610	4.353	5	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:3:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6,6a]C[6a]C)	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6,6a]C[6a]C){10|C<3>,1|C<4>}	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	109.4610	4.353	5	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6a]C[6]C)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6a]C[6]C){1|C<4>,1|O<1>,9|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	106.0800	0.000	1	106.0800	0.000	1	106.0800	0.000	1	109.4610	4.353	5	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	111.6310	0.000	1	111.6310	0.000	1	110.6145	2.067	2	109.4610	4.353	5	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	109.5980	0.000	1	109.5980	0.000	1	110.6145	2.067	2	109.4610	4.353	5	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:4:2:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)(N[6a]C[6a,6a])	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)(N[6a]C[6a,6a]){1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	107.8130	0.000	1	107.8130	0.000	1	107.8130	0.000	1	107.8130	0.000	1	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	110.7240	0.000	1	110.7240	0.000	1	111.0405	0.200	2	111.1857	3.515	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	111.3570	0.000	1	111.3570	0.000	1	111.0405	0.200	2	111.1857	3.515	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	109.6440	0.000	1	109.6440	0.000	1	110.1810	0.516	3	111.1857	3.515	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	110.9970	0.000	1	110.9970	0.000	1	110.1810	0.516	3	111.1857	3.515	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	109.9020	0.000	1	109.9020	0.000	1	110.1810	0.516	3	111.1857	3.515	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]CC){1|C<4>,6|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|H<1>,5|C<3>}	111.4735	2.757	2	111.4735	7.601	2	110.7477	3.698	6	111.1857	3.515	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	109.7405	1.187	2	109.7405	1.410	2	110.7477	3.698	6	111.1857	3.515	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HN){1|N<3>,6|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	111.0290	2.498	2	111.0290	6.238	2	110.7477	3.698	6	111.1857	3.515	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.5890	0.000	1	113.5890	0.000	1	114.1520	0.634	2	111.1857	3.515	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	114.7150	0.000	1	114.7150	0.000	1	114.1520	0.634	2	111.1857	3.515	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6,6a](C[6]C[5a,6]C[6a]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[5a,6]C[6,6a]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6,6a]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	106.8530	0.000	1	106.8530	0.000	1	106.8530	0.000	1	110.0208	1.742	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[5]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6]C[6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	111.2420	0.000	1	111.2420	0.000	1	111.2420	0.000	1	110.0208	1.742	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	109.1920	0.000	1	110.0594	0.862	9	110.0594	0.862	9	110.0208	1.742	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.1679	0.930	8	110.0594	0.862	9	110.0594	0.862	9	110.0208	1.742	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCHH)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCHH){5|O<2>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	110.8205	1.087	2	110.8205	1.181	2	110.8205	1.181	2	110.0208	1.742	13	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	114.8810	0.000	1	114.8810	0.000	1	114.8810	0.000	1	113.5507	2.942	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){2|H<1>,6|C<3>}	110.1920	0.000	1	110.1920	0.000	1	113.4620	3.017	15	113.5507	2.942	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	114.5400	0.000	1	114.1210	0.351	2	113.4620	3.017	15	113.5507	2.942	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	113.7020	0.000	1	114.1210	0.351	2	113.4620	3.017	15	113.5507	2.942	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	115.4130	0.000	1	115.4130	0.000	1	113.4620	3.017	15	113.5507	2.942	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|P<4>,3|H<1>,4|C<3>}	113.6660	0.000	1	113.6660	0.000	1	113.4620	3.017	15	113.5507	2.942	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|O<2>,1|S<4>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	114.1060	0.102	2	113.4631	3.305	9	113.4620	3.017	15	113.5507	2.942	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|S<4>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	113.8238	2.190	5	113.4631	3.305	9	113.4620	3.017	15	113.5507	2.942	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|S<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	111.9185	0.995	2	113.4631	3.305	9	113.4620	3.017	15	113.5507	2.942	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	113.2490	0.000	1	113.2490	0.000	1	113.4620	3.017	15	113.5507	2.942	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:2:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(O[6a]C[6a])	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(O[6a]C[6a]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	115.4630	0.000	1	115.4630	0.000	1	115.4630	0.000	1	115.4630	0.000	1	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.5795	0.026	2	113.5795	0.001	2	113.5795	0.001	2	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	112.9440	0.000	1	112.9440	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	112.1370	0.000	1	112.2900	0.047	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	112.4430	0.000	1	112.2900	0.047	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|P<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	109.0370	0.000	1	109.9720	1.748	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,2|O<2>,5|C<3>}	110.9070	0.000	1	109.9720	1.748	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	111.4270	0.000	1	111.4270	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]C)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]C){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	113.7745	0.660	4	113.7745	0.435	4	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	109.5220	0.000	1	112.6695	19.814	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	115.8170	0.000	1	112.6695	19.814	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	114.0490	0.000	1	114.6515	0.726	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	115.2540	0.000	1	114.6515	0.726	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	112.3715	0.025	2	112.8274	0.592	7	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	113.1345	0.821	2	112.8274	0.592	7	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	112.9267	1.059	3	112.8274	0.592	7	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	112.2950	0.000	1	113.8835	5.047	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){3|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	115.4720	0.000	1	113.8835	5.047	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	116.6425	0.021	2	116.6425	0.000	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<4>,4|C<3>}	116.0980	0.000	1	116.0980	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	110.4820	0.000	1	110.4820	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|F<1>,2|H<1>,4|C<3>}	114.2890	0.000	1	114.2890	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.2920	0.000	1	112.8730	4.027	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	111.4540	0.000	1	112.8730	4.027	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	112.8980	0.000	1	112.8980	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	115.5200	0.675	3	114.5063	1.842	11	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	110.9390	0.000	1	114.5063	1.842	11	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.7080	0.551	5	114.5063	1.842	11	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	113.9770	0.000	1	114.5063	1.842	11	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.5530	0.000	1	114.5063	1.842	11	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	113.2535	1.959	2	113.2535	3.839	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	112.4160	0.000	1	112.4160	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	113.2020	0.000	1	113.2020	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	112.8850	0.000	1	113.5041	0.689	10	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	114.4965	0.496	2	113.5041	0.689	10	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	112.6780	0.337	2	113.5041	0.689	10	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	112.5870	0.000	1	113.5041	0.689	10	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Cl<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|H<1>,4|C<3>}	114.2790	0.000	1	113.5041	0.689	10	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	113.0060	0.000	1	113.5041	0.689	10	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.0330	0.000	1	113.5041	0.689	10	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	113.9020	0.000	1	113.5041	0.689	10	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	113.5590	0.000	1	113.5590	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	111.9370	0.000	1	111.9370	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]Cl){2|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	113.7280	0.000	1	113.7280	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	114.7037	0.382	3	114.7037	0.146	3	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	115.8500	0.000	1	114.0079	0.902	9	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	112.7960	0.000	1	114.0079	0.902	9	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.8260	0.000	1	114.0079	0.902	9	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.2670	0.000	1	114.0079	0.902	9	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.9790	0.684	3	114.0079	0.902	9	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.6975	0.018	2	114.0079	0.902	9	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	114.1067	1.242	3	113.8588	1.274	4	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.1150	0.000	1	113.8588	1.274	4	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	114.1940	0.000	1	113.2650	1.726	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|F<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	112.3360	0.000	1	113.2650	1.726	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	114.9080	0.000	1	114.9080	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	115.6510	0.000	1	114.1164	0.867	12	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	114.5243	0.721	3	114.1164	0.867	12	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.0300	0.000	1	114.1164	0.867	12	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	114.6730	0.000	1	114.1164	0.867	12	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	113.8500	0.000	1	114.1164	0.867	12	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.9532	0.868	4	114.1164	0.867	12	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	112.8070	0.000	1	114.1164	0.867	12	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2{1|C<4>,3|C<3>,4|H<1>}	113.9190	0.000	1	114.3375	0.350	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2{2|C<4>,3|C<3>,3|H<1>}	114.7560	0.000	1	114.3375	0.350	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,4|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6,6a]O)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	116.9230	0.000	1	116.9230	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	115.3480	0.000	1	115.3480	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.6740	0.000	1	113.6740	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]O[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]O[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	112.0010	0.000	1	112.0010	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.9495	0.708	2	113.9495	0.501	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	113.6937	1.124	4	113.6937	1.264	4	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	112.1520	0.000	1	112.1520	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.0030	0.000	1	115.0030	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.2790	0.000	1	113.2790	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|F<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	112.3780	0.000	1	112.3780	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	112.8230	0.000	1	112.8230	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	110.6060	0.000	2	110.6753	0.014	3	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	110.8140	0.000	1	110.6753	0.014	3	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	110.2780	0.000	1	111.6340	0.714	5	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	111.6790	0.000	1	111.6340	0.714	5	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	112.0710	0.470	3	111.6340	0.714	5	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	110.1725	0.568	2	110.1725	0.322	2	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.8805	0.001	2	113.3296	0.328	5	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.0180	0.000	1	113.3296	0.328	5	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.9345	0.284	2	113.3296	0.328	5	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.6980	0.000	1	111.6980	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	113.9630	0.462	2	114.1492	0.977	5	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	114.8565	1.240	2	114.1492	0.977	5	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	113.1070	0.000	1	114.1492	0.977	5	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	112.2290	0.000	1	112.2290	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	111.5530	0.000	1	111.5530	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	113.8280	0.000	1	113.0703	1.908	3	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	111.4760	0.000	1	113.0703	1.908	3	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	113.9070	0.000	1	113.0703	1.908	3	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|C<3>,3|O<2>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|O<2>}	112.9990	0.000	1	112.9990	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|C<3>,3|O<2>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|H<1>}	113.1410	0.000	1	113.1410	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|H<1>}	112.7480	0.000	1	112.7480	0.000	1	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	112.5070	0.933	4	112.5070	0.871	4	113.4134	2.283	140	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.7845	0.640	2	114.7845	0.410	2	114.7980	0.205	3	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.8250	0.000	1	114.8250	0.000	1	114.7980	0.205	3	113.4443	2.245	145	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH){5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	111.3510	0.000	1	111.3510	0.000	1	111.8527	0.880	3	111.8527	0.880	3	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.2720	0.000	1	111.2720	0.000	1	111.8527	0.880	3	111.8527	0.880	3	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	112.9350	0.000	1	112.9350	0.000	1	111.8527	0.880	3	111.8527	0.880	3	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	112.6140	0.000	1	112.6140	0.000	1	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	111.5330	0.107	2	111.5330	0.012	2	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	111.0330	0.000	1	110.2816	0.304	5	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	109.7375	0.060	2	110.2816	0.304	5	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	110.4460	0.000	1	110.2816	0.304	5	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	110.4540	0.000	1	110.2816	0.304	5	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	107.4865	1.143	2	107.4865	1.307	2	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	110.6610	0.000	1	110.6610	0.000	1	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	111.3899	1.411	19	111.4720	2.020	20	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.0320	0.000	1	111.4720	2.020	20	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	109.4352	1.961	4	109.1978	3.166	5	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	108.2480	0.000	1	109.1978	3.166	5	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	111.8635	0.339	2	111.8635	0.115	2	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	110.8550	0.000	1	110.8550	0.000	1	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|S<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	112.2390	0.000	1	112.2390	0.000	1	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	111.5315	0.353	2	111.5315	0.125	2	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,3|C<3>,3|H<1>}	111.1550	0.000	1	111.1550	0.000	1	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6,6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6,6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	111.4720	0.293	2	111.4720	0.086	2	110.9363	2.479	45	110.9363	2.479	45	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	113.0050	0.346	2	113.0050	0.120	2	113.0050	0.120	2	113.0050	0.120	2	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:2:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(N[6a]C[6a,6a])	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	114.1130	2.063	3	114.1130	4.254	3	114.1130	4.254	3	114.1130	4.254	3	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]C[6a]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]C[6a]H)(C[6a]O[6a]O){1|C<2>,1|C<4>,1|N<3>,4|C<3>}	C[6a](C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	114.2960	0.222	2	114.2960	0.049	2	114.2960	0.049	2	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[5,6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,2|O<2>,3|C<3>}	115.6540	0.000	1	115.6540	0.000	1	112.9945	4.778	4	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|Br<1>,1|C<4>,1|H<1>,4|C<3>}	110.3000	0.000	1	110.3000	0.000	1	112.9945	4.778	4	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]C[6a]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]C[6a]H)(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	113.0120	0.007	2	113.0120	0.000	2	112.9945	4.778	4	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	113.9260	0.000	1	113.9260	0.000	1	113.9260	0.000	1	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]O)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]O)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[5,6]O)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	113.5270	0.000	1	113.5270	0.000	1	113.5270	0.000	1	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|C<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	116.2230	0.000	1	116.2230	0.000	1	116.2230	0.000	1	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)(C[6a]O[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	114.7260	0.031	2	114.7260	0.001	2	114.7260	0.001	2	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,5|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	113.2080	0.000	1	113.2080	0.000	1	114.5695	3.707	2	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	115.9310	0.000	1	115.9310	0.000	1	114.5695	3.707	2	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	114.8690	0.000	1	114.8690	0.000	1	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	113.6010	0.000	1	113.6010	0.000	1	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	110.7460	0.000	1	110.7460	0.000	1	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	111.0480	0.000	1	111.0480	0.000	1	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.8630	0.000	1	115.1255	0.138	2	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	115.3880	0.000	1	115.1255	0.138	2	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	109.3210	0.000	1	109.3210	0.000	1	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	112.2960	0.000	1	113.0635	1.178	2	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.8310	0.000	1	113.0635	1.178	2	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.7635	1.617	2	113.9480	0.934	7	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|P<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	113.3715	0.658	2	113.9480	0.934	7	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	114.5110	1.015	2	113.9480	0.934	7	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	114.3440	0.000	1	113.9480	0.934	7	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|C<4>,2|H<1>,3|C<3>}	115.6740	0.000	1	115.6740	0.000	1	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	110.6960	0.000	1	110.6960	0.000	1	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	113.0830	0.000	1	112.6119	1.217	8	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	113.5555	0.036	2	112.6119	1.217	8	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	111.4120	1.468	2	112.6119	1.217	8	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	112.8250	1.114	2	112.6119	1.217	8	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	112.2270	0.000	1	112.6119	1.217	8	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	116.7290	0.000	1	116.7290	0.000	1	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	114.9150	0.000	1	114.9150	0.000	1	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,5|C<3>}	114.2400	0.000	1	113.1187	1.147	6	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	112.7940	1.602	2	113.1187	1.147	6	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,3|C<4>,4|C<3>}	113.9260	0.000	1	113.1187	1.147	6	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	112.1400	0.000	1	113.1187	1.147	6	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,3|C<4>,4|C<3>}	112.8180	0.000	1	113.1187	1.147	6	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]F)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]F){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	111.0540	0.000	1	111.0540	0.000	1	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|I<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	114.1760	0.000	1	114.5455	0.273	2	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	114.9150	0.000	1	114.5455	0.273	2	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	111.5450	0.000	1	111.6170	0.365	3	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	111.6530	0.850	2	111.6170	0.365	3	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	113.5085	0.206	2	113.5340	0.023	3	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,3|C<3>,3|H<1>}	113.5850	0.000	1	113.5340	0.023	3	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	112.4610	0.000	1	112.4610	0.000	1	113.1654	2.544	44	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:P[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]P[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]P[6]H)(C[6a]C[6a]H)2{1|S<1>,2|H<1>,5|C<3>}	114.5670	1.368	2	114.5670	1.870	2	114.5670	1.870	2	113.4110	2.608	59	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{4|C<3>,4|C<4>}	112.1320	0.000	1	112.1320	0.000	1	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	113.0360	0.000	1	112.8110	0.101	2	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	112.5860	0.000	1	112.8110	0.101	2	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	114.1970	0.000	1	114.1970	0.000	1	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	113.2350	0.000	1	112.0432	1.568	10	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|F<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	111.2680	0.000	1	112.0432	1.568	10	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	111.7507	1.213	7	112.0432	1.568	10	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	113.6740	0.000	1	112.0432	1.568	10	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	113.2270	0.000	1	113.2270	0.000	1	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	113.3130	0.000	1	113.3130	0.000	1	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|H<1>,6|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	110.3090	0.000	1	113.4032	5.179	8	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	112.7950	0.000	1	113.4032	5.179	8	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	115.4365	4.143	2	113.4032	5.179	8	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.0150	0.000	1	113.4032	5.179	8	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	113.1180	0.420	2	113.4032	5.179	8	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	112.9980	0.000	1	113.4032	5.179	8	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	113.8955	2.106	2	113.3652	2.605	10	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	113.2760	2.762	2	113.3652	2.605	10	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	114.8530	0.000	1	113.3652	2.605	10	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	112.4955	1.257	2	113.3652	2.605	10	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	112.6980	0.000	1	113.3652	2.605	10	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	113.3835	2.248	2	113.3652	2.605	10	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	112.3760	0.464	3	112.3760	0.215	3	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>,6|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	114.8610	0.000	1	114.8610	0.000	1	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	113.0980	0.000	1	113.0980	0.000	1	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|O<2>,4|C<3>}	111.2220	0.000	1	111.2220	0.000	1	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<4>,4|C<3>}	115.6090	0.000	1	115.6090	0.000	1	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.4740	0.000	1	114.4740	0.000	1	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,3|C<3>,3|O<2>}	115.4750	0.000	1	115.4750	0.000	1	113.0620	2.650	43	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	112.9660	0.000	1	112.9660	0.000	1	112.1958	1.552	14	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){3|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	112.2575	0.985	2	112.2575	0.970	2	112.1958	1.552	14	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,4|C<4>}	113.4005	0.576	2	113.3153	0.188	3	112.1958	1.552	14	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	113.1450	0.000	1	113.3153	0.188	3	112.1958	1.552	14	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	114.5340	0.000	1	114.5340	0.000	1	112.1958	1.552	14	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	110.9330	0.000	2	110.9330	0.000	2	112.1958	1.552	14	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	110.9090	0.537	2	111.2717	0.752	4	112.1958	1.552	14	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|O<1>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	111.6345	1.200	2	111.2717	0.752	4	112.1958	1.552	14	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.8270	0.000	1	111.8270	0.000	1	112.1958	1.552	14	112.8493	2.489	57	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[3]-4:C[6a]-3:O[6]-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6])	C[6,6a](C[6]C[6a]C[3]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[3]O[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<2>,4|C<3>,7|H<1>}	C[6,6a](C[6]C[6a]C[3]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[3]O[6])(C[6a]C[6a]H)2{1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	111.9420	0.000	1	111.9420	0.000	1	111.9420	0.000	1	111.9420	0.000	1	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)2{12|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,9|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{2|H<1>,8|C<3>}	108.3663	3.386	4	108.3663	11.465	4	108.9714	13.490	16	108.9714	13.490	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]H){4|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{4|H<1>,6|C<3>}	110.5260	0.146	2	110.5260	0.021	2	108.9714	13.490	16	108.9714	13.490	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]2)2{1|N<2>,6|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,7|C<3>}	107.6640	5.387	4	107.6640	29.021	4	108.9714	13.490	16	108.9714	13.490	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{3|H<1>,7|C<3>}	109.3825	5.641	2	109.7283	12.859	6	108.9714	13.490	16	108.9714	13.490	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){3|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{3|H<1>,7|C<3>}	109.9013	3.272	4	109.7283	12.859	6	108.9714	13.490	16	108.9714	13.490	16	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2{1|N<3>,1|O<1>,5|H<1>,8|C<3>}	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2{3|H<1>,7|C<3>}	110.4200	0.526	2	110.4200	0.277	2	110.4200	0.277	2	110.4200	0.277	2	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:4:3:4:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	110.7760	0.000	1	110.7760	0.000	1	110.7760	0.000	1	110.7760	0.000	1	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	4:3:3:1:	3:4:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	112.7900	0.000	1	112.6300	0.939	3	112.5613	0.645	4	113.4733	2.506	6	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	4:3:3:1:	3:4:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	112.5500	1.356	2	112.6300	0.939	3	112.5613	0.645	4	113.4733	2.506	6	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	4:3:3:1:	3:4:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6,6a]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6a]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	112.3550	0.000	1	112.3550	0.000	1	112.5613	0.645	4	113.4733	2.506	6	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	4:3:3:1:	3:4:3:	4:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	115.2975	0.781	2	115.2975	0.611	2	115.2975	0.611	2	113.4733	2.506	6	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,5,6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[5,5,6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	108.4480	0.000	1	108.4480	0.000	1	108.4480	0.000	1	109.5105	2.258	2	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[6a]	4:3:3:1:	4:3:3:	4:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	110.5730	0.000	1	110.5730	0.000	1	110.5730	0.000	1	109.5105	2.258	2	112.0589	5.416	932	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:2:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	114.5780	0.000	1	114.5780	0.000	1	113.4483	0.661	4	113.4483	0.661	4	112.2762	1.309	29	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:2:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	113.0717	0.376	3	113.0717	0.141	3	113.4483	0.661	4	113.4483	0.661	4	112.2762	1.309	29	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]N[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]N[6]H)(C[6a]C[6a]O){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	113.8870	0.000	1	113.8870	0.000	1	113.8870	0.000	1	113.8870	0.000	1	112.2762	1.309	29	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.9925	1.339	2	112.1707	1.588	4	112.1707	1.588	4	112.1707	1.588	4	112.2762	1.309	29	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H){1|Si<4>,1|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	111.3490	0.522	2	112.1707	1.588	4	112.1707	1.588	4	112.1707	1.588	4	112.2762	1.309	29	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<2>,1|H<1>,4|C<3>}	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	111.7355	0.951	14	112.2762	1.309	29	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	113.0310	0.000	1	113.0310	0.000	1	113.0310	0.000	1	111.7355	0.951	14	112.2762	1.309	29	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	111.4626	0.730	12	111.4626	0.533	12	111.4626	0.533	12	111.7355	0.951	14	112.2762	1.309	29	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	112.5900	0.115	2	112.5900	0.013	2	112.9487	0.392	3	112.9487	0.392	3	112.2762	1.309	29	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){2|H<1>,6|C<3>}	113.6660	0.000	1	113.6660	0.000	1	112.9487	0.392	3	112.9487	0.392	3	112.2762	1.309	29	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	111.4530	0.246	2	111.4530	0.061	2	111.4530	0.061	2	111.4530	0.061	2	112.2762	1.309	29	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|H<1>,5|C<3>}	113.5990	0.000	1	113.5990	0.000	1	113.5990	0.000	1	113.5990	0.000	1	112.2762	1.309	29	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6])2	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6])2{1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	111.5275	1.172	4	110.9375	2.427	10	110.9375	2.427	10	110.9375	2.427	10	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6])2	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6])2{3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	110.5442	1.755	6	110.9375	2.427	10	110.9375	2.427	10	110.9375	2.427	10	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	110.3710	0.000	1	110.3710	0.000	1	111.6894	1.595	31	111.6894	1.595	31	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,5|C<3>}	112.3100	0.328	2	112.3100	0.108	2	111.6894	1.595	31	111.6894	1.595	31	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]C)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]C){5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	111.5450	0.000	1	111.5450	0.000	1	111.6894	1.595	31	111.6894	1.595	31	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	111.8810	0.533	2	111.8810	0.284	2	111.6894	1.595	31	111.6894	1.595	31	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	112.1117	0.232	3	112.1117	0.054	3	111.6894	1.595	31	111.6894	1.595	31	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|S<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	112.7750	1.288	2	111.6245	2.101	22	111.6894	1.595	31	111.6894	1.595	31	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|S<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	113.9130	0.000	1	111.6245	2.101	22	111.6894	1.595	31	111.6894	1.595	31	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,5|C<3>}	113.0890	0.000	1	111.6245	2.101	22	111.6894	1.595	31	111.6894	1.595	31	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	111.2882	1.337	18	111.6245	2.101	22	111.6894	1.595	31	111.6894	1.595	31	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:2:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HH)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	109.5900	0.000	1	109.5900	0.000	1	110.3200	0.774	3	110.3200	0.774	3	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:2:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HS)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HS){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|H<1>,4|C<3>}	110.6850	0.865	2	110.6850	0.749	2	110.3200	0.774	3	110.3200	0.774	3	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](C[6]C[6,6a]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]O[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,5|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	111.1680	0.000	1	111.1680	0.000	1	111.1680	0.000	1	112.3182	3.686	9	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){5|H<1>,8|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	110.2980	0.000	1	110.2980	0.000	1	110.2980	0.000	1	112.3182	3.686	9	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:B[6]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(B[6]O[6]O)(O[6]C[6])	C[6a](C[6]C[6a]B[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]B[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(B[6]O[6]O)(O[6]C[6]){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6a]B[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6a]B[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	109.1680	0.000	1	109.1680	0.000	1	109.1680	0.000	1	112.3182	3.686	9	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	111.8720	0.000	1	111.8720	0.000	1	112.8705	1.994	2	112.3182	3.686	9	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	113.8690	0.000	1	113.8690	0.000	1	112.8705	1.994	2	112.3182	3.686	9	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[3x6])	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[3x6]){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	111.8420	0.000	1	111.8420	0.000	1	113.6223	1.585	4	112.3182	3.686	9	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[6]){1|O<2>,5|H<1>,7|C<3>}	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	114.8040	0.000	1	114.8040	0.000	1	113.6223	1.585	4	112.3182	3.686	9	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:2:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,6|H<1>,7|C<3>}	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	113.9215	0.100	2	113.9215	0.010	2	113.6223	1.585	4	112.3182	3.686	9	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:2:	4:3:2:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6a]-3:N[6a]-2:	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2{1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	108.1120	1.599	2	108.1120	2.558	2	108.1120	2.558	2	108.1120	2.558	2	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:2:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	107.0580	0.000	1	107.0580	0.000	1	107.0580	0.000	1	107.0580	0.000	1	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6]C[5a,6]C[6,6a]C[6a])(C[6a]C[6a]H)2	C[6a](C[6]C[5a,6]C[6,6a]C[6a])(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,1|N<3>,5|H<1>,8|C<3>}	C[6a](C[6]C[5a,6]C[6,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[6,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	112.2580	0.000	1	112.2580	0.000	1	112.2580	0.000	1	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I)	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I){1|Br<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,5|C<3>}	111.3160	0.000	1	111.2035	0.025	2	111.2035	0.025	2	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I)	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I){1|I<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,5|C<3>}	111.0910	0.000	1	111.2035	0.025	2	111.2035	0.025	2	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]N[5,6,6]C[6])(C[6a]C[6a]2)2(C[6]N[6]O)	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6]N[5,6,6]C[6])(C[6a]C[6a]2)2(C[6]N[6]O){1|C<4>,6|C<3>,6|H<1>}	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,2|N<3>,4|C<3>}	110.8640	0.000	1	110.8640	0.000	1	110.8640	0.000	1	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2{1|C<2>,1|C<4>,5|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	113.5993	0.615	3	113.5993	0.378	3	113.5993	0.378	3	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|Cl<1>,1|C<4>,5|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	110.6680	0.000	1	110.6680	0.000	1	111.6083	1.280	15	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	112.5252	1.323	5	112.5252	1.749	5	111.6083	1.280	15	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	111.2336	0.783	8	111.2034	0.545	9	111.6083	1.280	15	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|O<2>,6|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	110.9620	0.000	1	111.2034	0.545	9	111.6083	1.280	15	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2{1|N<3>,2|C<4>,6|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N){1|C<4>,1|N<2>,5|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	113.3760	0.000	1	113.3760	0.000	1	112.3095	2.745	4	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O){1|S<4>,5|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	111.6060	0.000	1	111.6060	0.000	1	112.3095	2.745	4	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,3|O<2>,5|C<3>}	113.9360	0.000	1	112.1280	6.538	2	112.3095	2.745	4	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	110.3200	0.000	1	112.1280	6.538	2	112.3095	2.745	4	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	111.8820	0.000	1	111.8820	0.000	1	112.0815	0.080	2	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	112.2810	0.000	1	112.2810	0.000	1	112.0815	0.080	2	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]N[6]S)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]N[6]S){4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,5|C<3>}	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(C[6]C[6]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]H)2{1|Se<2>,5|C<3>,5|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	112.3320	0.000	1	112.3320	0.000	1	112.3320	0.000	1	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]H)(N[6]C[6]H){4|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	110.9920	0.000	1	110.9920	0.000	1	110.9920	0.000	1	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(N[6]C[5,6]H)(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(N[6]C[5,6]H)(C[6]C[6]H){1|Re<6>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	111.6830	0.000	1	111.6830	0.000	1	113.2793	2.938	3	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:N[6]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(N[6]C[6,6]O)(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(N[6]C[6,6]O)(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,5|C<3>}	114.0775	1.433	2	114.0775	2.054	2	113.2793	2.938	3	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)2(C[6]C[6]H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	112.8280	0.000	1	112.8280	0.000	1	111.2878	6.989	9	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,5|C<3>}	112.7820	1.030	2	112.7820	1.060	2	111.2878	6.989	9	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]P)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]P)(C[6a]C[6a]2)2(C[6]C[6]H){4|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,5|C<3>}	109.1785	0.554	2	109.1785	0.307	2	111.2878	6.989	9	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H){1|S<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	108.4570	0.000	1	108.1200	0.227	2	111.2878	6.989	9	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H){4|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	107.7830	0.000	1	108.1200	0.227	2	111.2878	6.989	9	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H){5|H<1>,8|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	114.3005	0.602	2	114.3005	0.362	2	111.2878	6.989	9	111.8935	2.583	45	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|F<1>,6|C<3>,7|H<1>}	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	110.3050	1.081	6	110.3050	1.169	6	110.3050	1.169	6	110.7637	2.651	11	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]CC)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]CC){1|C<4>,6|C<3>,7|H<1>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|H<1>,5|C<3>}	109.9570	0.000	1	109.9570	0.000	1	110.5487	0.996	3	110.7637	2.651	11	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	111.7010	0.000	1	111.7010	0.000	1	110.5487	0.996	3	110.7637	2.651	11	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HN)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HN){1|N<3>,6|C<3>,7|H<1>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	109.9880	0.000	1	109.9880	0.000	1	110.5487	0.996	3	110.7637	2.651	11	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	114.8600	0.000	1	114.8600	0.000	1	114.8600	0.000	1	110.7637	2.651	11	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:3:4:	4:3:3:	4:3:3:	N[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6]N[5a,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]N[5a,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(C[6]C[6]HH){2|O<2>,5|H<1>,6|C<3>}	C[6a](C[6]N[5a,6]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6]N[5a,6]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,4|C<3>,4|H<1>}	110.0650	0.000	1	110.0650	0.000	1	110.0650	0.000	1	110.7637	2.651	11	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,5|C<3>,6|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,5|H<1>}	111.9390	0.000	1	111.9390	0.000	1	111.3860	0.612	2	111.0964	0.523	5	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|C<4>,3|H<1>}	110.8330	0.000	1	110.8330	0.000	1	111.3860	0.612	2	111.0964	0.523	5	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,5|H<1>}	111.6060	0.000	1	110.9033	0.600	3	110.9033	0.600	3	111.0964	0.523	5	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,5|H<1>}	110.5520	0.677	2	110.9033	0.600	3	110.9033	0.600	3	111.0964	0.523	5	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HN)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HN){2|C<4>,4|C<3>,7|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,5|H<1>}	109.3650	0.000	1	109.3650	0.000	1	107.2932	2.492	60	107.2932	2.492	60	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]N[6]HH)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,5|C<3>,6|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	107.7940	0.000	1	107.7940	0.000	1	107.2932	2.492	60	107.2932	2.492	60	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	106.6745	0.742	2	107.2489	2.498	58	107.2932	2.492	60	107.2932	2.492	60	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	107.4032	1.424	46	107.2489	2.498	58	107.2932	2.492	60	107.2932	2.492	60	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	106.3300	0.000	1	107.2489	2.498	58	107.2932	2.492	60	107.2932	2.492	60	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	104.7920	0.691	5	107.2489	2.498	58	107.2932	2.492	60	107.2932	2.492	60	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{5|C<3>,8|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	109.3400	1.235	2	107.2489	2.498	58	107.2932	2.492	60	107.2932	2.492	60	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{5|C<3>,8|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	108.7855	0.962	2	107.2489	2.498	58	107.2932	2.492	60	107.2932	2.492	60	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2{1|N<3>,1|O<1>,5|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2{3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2{3|H<1>,7|C<3>}	111.4840	0.000	1	111.4840	0.000	1	111.4840	0.000	1	110.1918	3.211	9	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)2{12|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{2|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{2|H<1>,8|C<3>}	107.4720	1.287	2	107.4720	1.656	2	110.0302	3.402	8	110.1918	3.211	9	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{4|H<1>,6|C<3>}	110.8150	0.000	1	110.8150	0.000	1	110.0302	3.402	8	110.1918	3.211	9	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]2)2{1|N<2>,6|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,7|C<3>}	112.0645	0.114	2	112.0645	0.013	2	110.0302	3.402	8	110.1918	3.211	9	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	3:4:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{3|H<1>,7|C<3>}	110.1180	0.262	3	110.1180	0.069	3	110.0302	3.402	8	110.1918	3.211	9	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[3,6,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[3,6,6]C[3,6]2O[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](C[6]C[3,6,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[3,6,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](C[3,6,6]C[3,6]2O[6])(C[6a]C[6a]2)2(O[6]C[6]){2|C<4>,6|C<3>,6|H<1>}	C[6a](C[6]C[3,6,6]C[6a]O[6])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[3,6,6]C[6a]O[6])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	111.7050	0.000	1	111.7050	0.000	1	111.7050	0.000	1	110.7417	0.697	3	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]Ru)(C[6a]C[6a]2)2(O[6]C[6])	C[6a](C[6]C[5,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[5,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]Ru)(C[6a]C[6a]2)2(O[6]C[6]){1|O<2>,3|C<4>,5|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6a]O[6])(C[6a]C[6a]H)2{1|Ru<10>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6]C[5,6]C[6a]O[6])(C[6a]C[6a]H)2{1|Ru<10>,2|H<1>,3|C<3>,3|C<4>}	110.2870	0.000	1	110.2870	0.000	1	110.2870	0.000	1	110.7417	0.697	3	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	4:3:3:2:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]B[6])	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]B[6]){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,4|C<3>,4|H<1>}	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	110.7417	0.697	3	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]O)	C[6a](C[6]C[5,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[5,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,5|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	109.6450	7.296	2	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	4:3:3:3:	4:3:3:	4:3:3:	C[6]-4:C[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,3|H<1>,6|C<3>}	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	109.6450	7.296	2	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6]N[6,6]N[6]H)(C[6a]C[6a]2)2(C[6]N[6]HH)	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6]N[6,6]N[6]H)(C[6a]C[6a]2)2(C[6]N[6]HH){2|C<4>,4|H<1>,7|C<3>}	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2{3|C<3>,3|N<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2{3|C<3>,3|N<3>,5|H<1>}	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	110.0363	1.592	3	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|S<4>,4|C<3>,6|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	109.1280	0.000	1	109.3160	0.071	2	109.3160	0.071	2	110.0363	1.592	3	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	0:SP3_SP2_SP2	C[6]	C[6a]	C[6a]	4:3:3:4:	4:3:3:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,5|C<3>,6|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	109.5040	0.000	1	109.3160	0.071	2	109.3160	0.071	2	110.0363	1.592	3	110.0871	6.249	194	111.7302	7.138	1366
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:2:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-2:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	106.3680	0.000	1	106.3680	0.000	1	106.3680	0.000	1	106.3680	0.000	1	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:2:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC){1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<2>,1|O<2>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	108.6100	0.280	2	108.6100	0.078	2	108.6100	0.078	2	108.6100	0.078	2	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){10|C<3>,1|O<2>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	109.3577	0.643	10	109.3577	0.414	10	109.3577	0.414	10	109.3577	0.414	10	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:2:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[5,6,6])(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[5,6,6])(CH3){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.3340	0.000	1	108.3340	0.000	1	108.1403	0.758	8	108.1403	0.758	8	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:2:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[6,6])(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[6,6])(CH3){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.1750	0.000	1	107.1750	0.000	1	108.1403	0.758	8	108.1403	0.758	8	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:2:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.8310	0.728	2	108.8310	0.530	2	108.1403	0.758	8	108.1403	0.758	8	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:2:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CHHN)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CHHN){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	107.9878	0.959	4	107.9878	0.920	4	108.1403	0.758	8	108.1403	0.758	8	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[3x6]Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6]C[6,6,6a]C[3x6]Cl)	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl){4|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[3x6]Cl){1|Cl<1>,3|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6]C[6,6,6a]C[3x6]Cl){2|Cl<1>,3|C<4>,6|C<3>}	106.7490	0.000	1	106.7490	0.000	1	106.7490	0.000	1	105.2930	1.801	3	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:3:4:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5a,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[5a,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H)	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H){2|H<1>,7|C<3>}	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H){2|H<1>,7|C<3>}	104.5650	0.649	2	104.5650	0.421	2	104.5650	0.421	2	105.2930	1.801	3	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5a,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H)	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H){2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.2952	0.737	4	105.2952	0.543	4	105.2952	0.543	4	106.4783	1.355	12	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[5a])(C[3x6]C[6,6,6a]2H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[5a])(C[3x6]C[6,6,6a]2H){1|H<1>,1|N<2>,1|S<2>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	107.9450	0.471	2	107.9450	0.222	2	107.1937	0.776	6	106.4783	1.355	12	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6,6a]2H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6,6a]2H){1|H<1>,1|N<2>,8|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	106.8180	0.809	4	106.8180	0.655	4	107.1937	0.776	6	106.4783	1.355	12	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6a,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H){2|H<1>,8|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.1400	0.000	1	106.1400	0.000	1	106.6985	0.624	2	106.4783	1.355	12	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6a,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H){2|H<1>,8|C<3>}	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	107.2570	0.000	1	107.2570	0.000	1	106.6985	0.624	2	106.4783	1.355	12	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	105.3620	0.282	5	105.3131	0.303	10	105.1585	0.319	14	105.1585	0.319	14	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	105.2642	0.772	5	105.3131	0.303	10	105.1585	0.319	14	105.1585	0.319	14	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a]){1|C<2>,1|H<1>,5|C<3>}	104.6325	0.435	2	104.7720	0.193	4	105.1585	0.319	14	105.1585	0.319	14	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a]){1|C<2>,1|H<1>,5|C<3>}	104.9115	0.559	2	104.7720	0.193	4	105.1585	0.319	14	105.1585	0.319	14	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Br-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(Br)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Br)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Br)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(Br){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	106.3575	0.543	6	106.3575	0.295	6	106.3575	0.295	6	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.6860	0.000	1	105.6860	0.000	1	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	106.0365	0.950	6	106.0365	0.903	6	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	105.3090	0.972	3	106.0972	1.010	24	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	106.1641	1.056	18	106.0972	1.010	24	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,5|C<3>}	106.4840	0.044	3	106.0972	1.010	24	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a]C[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a]C[6a]){1|N<2>,1|S<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.5935	1.112	2	105.5935	1.237	2	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.5914	0.658	8	105.5551	0.489	28	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.5150	0.676	8	105.5551	0.489	28	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.5576	0.795	12	105.5551	0.489	28	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.7797	1.081	8	105.7681	1.525	12	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.7447	1.692	4	105.7681	1.525	12	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.4605	0.711	8	105.1758	1.045	24	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	104.9600	0.716	4	105.1758	1.045	24	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	102.8530	0.048	2	105.1758	1.045	24	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.4990	0.836	10	105.1758	1.045	24	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.2185	0.323	2	105.0768	0.098	4	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	104.9350	0.331	2	105.0768	0.098	4	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]O){1|H<1>,1|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.0200	0.474	4	105.0200	0.225	4	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){1|N<2>,2|H<1>,5|C<3>}	105.8828	1.233	6	106.0055	1.270	24	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	106.0464	1.124	18	106.0055	1.270	24	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.5236	0.595	14	105.5236	0.354	14	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.7233	0.816	4	105.7233	0.665	4	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.7999	0.607	11	105.7999	0.369	11	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Br)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Br<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Br){1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.5872	0.765	6	105.5872	0.585	6	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|H<1>,3|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|H<1>,2|C<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|H<1>,2|C<4>,5|C<3>}	106.4945	0.107	2	106.1078	0.383	5	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){4|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){3|H<1>,5|C<3>}	105.8500	0.715	3	106.1078	0.383	5	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|N<3>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.5558	0.488	4	105.9725	0.337	11	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|H<1>,3|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|H<1>,2|C<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.2318	0.584	4	105.9725	0.337	11	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|Ge<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	106.3480	0.614	2	105.9725	0.337	11	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|H<1>,2|C<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	105.8520	0.000	1	105.9725	0.337	11	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C[5])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C[5]){1|Ir<6>,2|H<1>,2|N<3>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.4068	2.371	4	105.4068	5.621	4	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Cl){1|Cl<1>,1|Si<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	105.5085	0.555	2	105.5085	0.308	2	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Br)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Br<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Br){1|O<2>,2|H<1>,5|C<3>}	105.7008	0.926	6	105.7008	0.857	6	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|H<1>,2|C<4>,5|C<3>}	106.7610	0.000	1	106.7610	0.000	1	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Br<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.9903	0.969	6	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.9158	0.522	10	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.5210	0.148	2	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.6130	0.520	4	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.7222	0.405	9	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	106.3863	1.216	3	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	107.8390	0.378	2	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,5|C<3>}	106.7620	1.083	2	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,5|C<3>}	106.7400	0.000	1	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.8574	0.868	21	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.9005	0.561	15	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	105.3677	0.709	11	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	105.6935	0.645	30	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.5417	0.451	6	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	105.4736	0.668	8	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	106.1844	0.911	8	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	105.8089	1.309	35	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	105.8014	0.673	10	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	105.5800	1.158	2	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	105.3257	0.424	4	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.0517	0.114	4	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	105.7273	1.264	12	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	105.4600	0.000	1	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<5>,1|H<1>,1|P<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<5>,1|H<1>,1|P<4>,5|C<3>}	107.0220	0.000	1	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<5>,1|H<1>,1|P<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<5>,2|H<1>,5|C<3>}	104.8135	0.193	2	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|P<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|P<4>,5|C<3>}	107.3723	1.698	3	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|P<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<6>,2|H<1>,5|C<3>}	104.5478	0.631	4	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	105.3943	1.235	45	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.9756	1.157	15	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	105.6299	1.120	32	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.6480	0.935	25	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|P<3>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|P<3>,2|H<1>,5|C<3>}	107.0480	0.000	1	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|P<3>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.6870	0.000	1	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|P<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|P<4>,2|H<1>,5|C<3>}	103.6556	4.026	4	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|P<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.8963	1.087	7	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,5|C<3>}	108.1550	0.000	1	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,5|C<3>}	104.0820	0.477	2	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,5|C<3>}	105.1160	0.833	4	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|P<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|P<4>,5|C<3>}	108.9330	0.000	1	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|P<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ru<6>,2|H<1>,5|C<3>}	103.9430	1.271	2	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	105.5050	0.471	3	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	105.7319	1.031	18	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Se<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Se<2>,2|H<1>,5|C<3>}	105.6951	0.796	18	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	105.7228	1.016	22	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.4641	1.783	8	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.7491	0.734	133	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.0560	0.000	1	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	106.8860	0.000	1	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	107.6310	0.000	1	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	104.9510	0.000	1	105.7245	1.082	562	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	105.0995	0.780	2	104.9379	0.186	8	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|Pd<4>,1|H<1>,1|O<2>,5|C<3>}	104.8900	0.443	4	104.9379	0.186	8	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|Pt<4>,1|H<1>,1|O<2>,5|C<3>}	104.8720	0.190	2	104.9379	0.186	8	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<3>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	105.2210	0.000	1	106.2780	2.251	8	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	106.4290	1.553	7	106.2780	2.251	8	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|N<3>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.8475	0.030	2	105.6725	0.109	8	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|C<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.6410	0.467	4	105.6725	0.109	8	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.5605	0.146	2	105.6725	0.109	8	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	104.5730	0.593	2	104.9350	0.262	6	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.0895	0.422	2	104.9350	0.262	6	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.1425	0.622	2	104.9350	0.262	6	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.2538	1.765	6	105.4948	1.842	26	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	105.5647	0.679	6	105.4948	1.842	26	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.1396	1.328	14	105.4948	1.842	26	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	103.5670	2.143	3	104.8172	1.772	10	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	105.2180	0.000	1	104.8172	1.772	10	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	105.3755	0.086	6	104.8172	1.772	10	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<3>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	106.8470	0.000	1	104.8787	17.072	5	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	104.3867	4.599	4	104.8787	17.072	5	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]Cl){1|H<1>,1|N<2>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	104.5425	0.293	2	104.5425	0.086	2	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O){1|H<1>,1|N<2>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	104.9050	0.706	4	104.9050	0.499	4	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.4098	0.369	4	105.4098	0.136	4	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	106.0905	0.156	2	106.0905	0.024	2	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|N<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	104.4230	0.000	1	104.4230	0.000	1	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	108.5250	0.000	1	108.3304	0.427	10	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Rh<4>,1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Rh<4>,2|H<1>,5|C<3>}	108.9965	0.405	2	108.3304	0.427	10	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Rh<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Rh<4>,2|H<1>,5|C<3>}	108.1123	0.636	7	108.3304	0.427	10	105.7101	1.222	849	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:I-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(I)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2I)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2I)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(I){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2I)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2I)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.8230	0.000	1	105.8230	0.000	1	105.8230	0.000	1	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(S)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(S){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	103.4707	0.323	3	103.4707	0.104	3	103.4707	0.104	3	105.7069	1.230	859	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	105.0601	1.153	8	105.0601	1.331	8	105.2975	0.593	24	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.6232	0.342	4	105.6232	0.117	4	105.2975	0.593	24	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	105.3472	0.528	12	105.3472	0.279	12	105.2975	0.593	24	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	108.9340	0.412	2	108.9340	0.169	2	108.8490	0.086	4	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<3>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<3>,3|C<3>,3|H<1>}	108.9350	0.000	1	108.7640	0.058	2	108.8490	0.086	4	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,2|H<1>,2|N<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	108.5930	0.000	1	108.7640	0.058	2	108.8490	0.086	4	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	103.6045	0.088	2	104.7820	1.471	13	104.8443	1.412	14	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	104.5534	0.764	9	104.7820	1.471	13	104.8443	1.412	14	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.9880	0.069	2	104.7820	1.471	13	104.8443	1.412	14	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H){2|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	105.6540	0.000	1	105.6540	0.000	1	104.8443	1.412	14	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5])(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	105.7995	0.360	2	105.7995	0.130	2	105.7995	0.130	2	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	105.1358	0.523	8	105.1902	0.266	9	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|Se<3>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|Se<3>,2|H<1>,5|C<3>}	105.6260	0.000	1	105.1902	0.266	9	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	105.2520	0.000	1	104.8330	0.524	3	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|Se<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|Se<2>,3|H<1>,4|C<3>}	105.2500	0.000	1	104.8330	0.524	3	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	103.9970	0.000	1	104.8330	0.524	3	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.3070	0.000	1	109.3070	0.000	1	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H){1|P<4>,2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.6415	0.611	4	106.6415	0.373	4	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|Cl<1>,1|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl){3|H<1>,5|C<3>}	105.6810	0.000	1	105.6810	0.000	1	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	105.4640	0.000	1	105.6037	0.645	21	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	107.7650	0.000	1	105.6037	0.645	21	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.1740	0.000	1	105.6037	0.645	21	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	104.8388	0.475	4	105.6037	0.645	21	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	105.5480	0.000	1	105.6037	0.645	21	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,5|C<3>}	106.2260	0.000	1	105.6037	0.645	21	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	105.5650	0.000	1	105.6037	0.645	21	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.3585	0.180	2	105.6037	0.645	21	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	104.2400	0.000	1	105.6037	0.645	21	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	105.8279	0.543	8	105.6037	0.645	21	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6])(H){1|Ru<9>,1|P<4>,2|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	105.5700	0.000	1	105.5700	0.000	1	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.6785	0.886	8	106.5406	0.775	10	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	106.5850	0.000	1	106.5406	0.775	10	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Te<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Te<2>,2|H<1>,5|C<3>}	105.3930	0.000	1	106.5406	0.775	10	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5]){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){4|C<3>,4|H<1>}	105.9125	0.165	2	105.9125	0.027	2	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5]){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	104.7725	0.187	2	104.7725	0.035	2	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	104.3780	0.000	1	104.3933	0.029	3	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	104.4010	0.239	2	104.3933	0.029	3	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	107.6421	0.495	8	107.7358	0.806	40	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	106.0220	0.318	2	107.7358	0.806	40	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	107.8750	0.892	30	107.7358	0.806	40	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|N<3>,3|H<1>,4|C<3>}	107.5735	0.285	2	107.5735	0.081	2	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|O<1>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|O<1>,3|H<1>,4|C<3>}	108.3885	0.203	2	108.3885	0.041	2	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,4|C<3>}	107.9660	0.126	2	107.8278	0.080	4	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	107.6895	0.384	2	107.8278	0.080	4	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	106.6233	0.704	6	106.5805	0.497	24	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	106.9355	0.687	4	106.5805	0.497	24	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	106.6726	0.455	12	106.5805	0.497	24	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	105.1895	0.879	2	106.5805	0.497	24	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]S)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]S)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	106.2890	0.000	1	106.2890	0.000	1	106.6373	1.651	130	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]B)(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]B)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|S<2>,2|H<1>,4|C<3>}	104.2990	0.000	1	104.2990	0.000	1	105.6498	0.909	6	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	105.7740	0.000	1	105.7740	0.000	1	105.6498	0.909	6	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	105.8875	1.136	2	105.9565	0.776	4	105.6498	0.909	6	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	106.0255	1.009	2	105.9565	0.776	4	105.6498	0.909	6	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:P[4x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6])(H){1|Mo<9>,2|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	106.8405	0.066	2	106.8405	0.004	2	106.8405	0.004	2	106.3318	1.922	182	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	105.1937	0.708	6	105.1276	0.514	35	105.1269	0.454	41	105.4446	2.747	89	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.1139	0.730	29	105.1276	0.514	35	105.1269	0.454	41	105.4446	2.747	89	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CP)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CP){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	105.1232	0.373	6	105.1232	0.139	6	105.1269	0.454	41	105.4446	2.747	89	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC){1|P<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	108.4352	3.087	6	108.4352	9.532	6	107.0160	8.516	12	105.4446	2.747	89	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.5968	2.090	6	105.5968	4.369	6	107.0160	8.516	12	105.4446	2.747	89	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.0593	2.025	12	105.0593	4.101	12	105.1249	3.795	18	105.4446	2.747	89	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.2562	1.963	6	105.2562	3.852	6	105.1249	3.795	18	105.4446	2.747	89	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Se-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SeC[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SeC[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.4403	1.323	18	105.4403	1.750	18	105.4403	1.750	18	105.4446	2.747	89	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CC)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CC){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.1150	0.000	1	106.1150	0.000	1	106.1150	0.000	1	106.1150	0.000	1	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	105.6449	0.716	8	105.6449	0.513	8	105.0899	1.025	75	105.1734	1.538	105	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	105.1156	0.773	16	105.1156	0.598	16	105.0899	1.025	75	105.1734	1.538	105	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	105.0067	1.232	36	105.0089	1.244	48	105.0899	1.025	75	105.1734	1.538	105	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	105.1257	0.909	6	105.0089	1.244	48	105.0899	1.025	75	105.1734	1.538	105	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	104.9048	0.449	6	105.0089	1.244	48	105.0899	1.025	75	105.1734	1.538	105	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CPtP)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CPtP){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	104.7700	0.943	3	104.7700	0.890	3	105.0899	1.025	75	105.1734	1.538	105	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	105.0503	1.163	8	105.3819	2.836	30	105.3819	2.836	30	105.1734	1.538	105	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.0065	1.752	8	105.3819	2.836	30	105.3819	2.836	30	105.1734	1.538	105	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.2146	1.899	14	105.3819	2.836	30	105.3819	2.836	30	105.1734	1.538	105	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|C<4>,4|H<1>,9|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	103.9618	4.101	3	104.1637	6.882	9	104.1637	6.882	9	104.2002	5.571	11	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|C<4>,5|H<1>,8|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	104.2647	2.061	6	104.1637	6.882	9	104.1637	6.882	9	104.2002	5.571	11	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	104.9070	0.000	1	104.9070	0.000	1	104.9070	0.000	1	104.2002	5.571	11	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	103.8220	0.000	1	103.8220	0.000	1	103.8220	0.000	1	104.2002	5.571	11	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	104.0260	1.352	6	104.1012	1.733	12	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	104.2957	1.463	3	104.1012	1.733	12	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	104.0570	1.657	3	104.1012	1.733	12	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Br)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Br){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	108.2570	0.000	1	108.2570	0.000	1	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Br)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]C){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Br){3|H<1>,5|C<3>}	101.8100	0.000	1	101.8100	0.000	1	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]C){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	104.9910	0.000	1	104.9910	0.000	1	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.1430	0.000	1	104.9120	3.745	4	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	104.5017	2.146	3	104.9120	3.745	4	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	103.0800	0.362	2	103.0800	0.131	2	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Cl){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	104.1156	0.507	16	104.1156	0.257	16	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	105.2978	1.749	23	104.9784	2.571	87	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	104.7243	1.669	52	104.9784	2.571	87	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	104.9243	0.609	4	104.9784	2.571	87	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	105.7391	0.171	8	104.9784	2.571	87	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHHO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHHO){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	104.9914	0.621	5	104.9914	0.385	5	104.7598	2.343	129	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.8250	1.382	2	105.0300	2.851	3	104.6134	5.840	14	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	103.4400	0.000	1	105.0300	2.851	3	104.6134	5.840	14	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeClPt2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeClPt2){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	106.5695	1.324	2	106.5695	1.754	2	104.6134	5.840	14	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GePt2H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GePt2H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	103.8770	5.261	3	103.8770	27.681	3	104.6134	5.840	14	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GePtHH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GePtHH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	104.1213	0.608	6	104.1213	0.370	6	104.6134	5.840	14	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Si-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]Cl){1|Cl<1>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]H){3|H<1>,5|C<3>}	103.3840	0.194	2	103.3840	0.038	2	104.0860	1.497	3	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Si-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.4900	0.000	1	105.4900	0.000	1	104.0860	1.497	3	104.7319	2.623	146	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	105.3480	1.534	2	105.7448	0.997	4	105.7448	0.997	4	104.5999	2.291	23	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	106.1415	0.083	2	105.7448	0.997	4	105.7448	0.997	4	104.5999	2.291	23	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe){1|O<2>,3|C<4>,4|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	102.4225	0.197	2	103.4966	3.093	5	104.0993	2.064	9	104.5999	2.291	23	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe){3|C<4>,5|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	104.7670	0.000	1	103.4966	3.093	5	104.0993	2.064	9	104.5999	2.291	23	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe){3|C<4>,5|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	103.9355	2.833	2	103.4966	3.093	5	104.0993	2.064	9	104.5999	2.291	23	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe){1|O<2>,3|C<4>,4|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|Fe<10>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	104.8528	0.126	4	104.8528	0.016	4	104.0993	2.064	9	104.5999	2.291	23	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	103.0050	0.000	1	103.0050	0.000	1	104.8970	1.961	6	104.5999	2.291	23	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	104.8130	0.000	1	104.8130	0.000	1	104.8970	1.961	6	104.5999	2.291	23	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CH3){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	105.3910	1.322	4	105.3910	1.747	4	104.8970	1.961	6	104.5999	2.291	23	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(C[5]C[5]2Fe)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(C[5]C[5]2Fe){3|C<4>,4|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	103.2360	1.116	3	103.2360	1.245	3	103.2360	1.245	3	104.5999	2.291	23	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]O[6,6]C)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]O[6,6]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	104.5999	2.291	23	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H){1|Cl<1>,1|C<4>,1|N<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|N<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|N<4>,3|C<3>,3|H<1>}	107.4785	0.148	2	107.4785	0.022	2	107.6313	0.081	3	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<3>,2|N<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<3>,2|N<4>,3|C<3>,3|H<1>}	107.9370	0.000	1	107.9370	0.000	1	107.6313	0.081	3	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cr<9>,2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cr<9>,2|C<4>,2|H<1>,4|C<3>}	105.7700	0.000	1	105.7700	0.000	1	107.3403	1.023	17	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	107.4740	0.246	2	107.4740	0.061	2	107.3403	1.023	17	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	107.9420	0.061	2	108.1758	0.226	6	107.3403	1.023	17	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	108.4825	0.838	2	108.1758	0.226	6	107.3403	1.023	17	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	108.3420	0.000	1	108.1758	0.226	6	107.3403	1.023	17	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){3|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	107.8640	0.000	1	108.1758	0.226	6	107.3403	1.023	17	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]N[5,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]N[5,6]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	106.8765	0.984	8	106.8765	0.967	8	107.3403	1.023	17	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2C)(H){1|C<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	107.2980	0.344	2	107.2980	0.118	2	107.2887	0.092	4	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2H)(H){1|C<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	107.2795	0.395	2	107.2795	0.156	2	107.2887	0.092	4	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:Br-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(Br)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(Br){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	109.0100	0.148	2	109.0100	0.022	2	109.0100	0.022	2	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	106.7505	1.454	26	106.7505	2.114	26	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	107.4720	0.501	2	107.4720	0.251	2	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]Si)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]Si){1|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	109.4870	0.000	1	109.4870	0.000	1	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<2>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	107.5640	0.000	1	107.5640	0.000	1	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	108.1935	0.026	2	108.1935	0.001	2	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]F)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]F)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|F<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]F){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]F){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	107.7555	0.325	4	107.7555	0.106	4	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	108.0970	0.000	1	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|H<1>,4|C<3>}	106.6630	0.334	4	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	107.1020	0.000	1	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	108.2680	0.238	2	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<2>,3|H<1>,4|C<3>}	107.2100	0.000	1	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	107.5350	0.000	1	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	107.8898	0.607	50	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	107.9984	0.562	9	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	107.3500	0.000	1	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<2>,3|H<1>,4|C<3>}	108.2970	0.000	1	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	107.0030	0.040	2	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	109.1200	0.000	2	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	107.6170	0.000	1	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	107.8045	0.797	2	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	107.3310	0.514	6	107.7942	0.444	84	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]N[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]N[5]H)(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.5725	0.516	4	108.5725	0.266	4	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]2)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]2)(H){1|C<4>,2|H<1>,3|O<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	108.1210	0.000	1	108.1210	0.000	1	107.6163	0.979	125	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	107.9930	0.004	2	107.9930	0.000	2	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){2|C<2>,2|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,2|C<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<2>,3|C<3>,3|C<4>}	109.0170	1.503	2	109.0170	2.260	2	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,2|C<2>,2|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<2>,3|C<3>,3|C<4>}	108.3865	0.745	2	108.3865	0.554	2	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	107.3830	0.000	1	107.4365	0.006	2	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	107.4900	0.000	1	107.4365	0.006	2	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|P<2>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|P<2>,3|C<3>,3|H<1>}	108.5730	0.731	2	107.7888	0.922	44	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	107.7178	0.815	16	107.7888	0.922	44	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	108.1870	0.000	1	107.7888	0.922	44	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	106.3500	0.000	1	107.7888	0.922	44	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ir<6>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ir<6>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	109.8190	0.000	1	107.7888	0.922	44	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ru<6>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ru<6>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	108.9580	0.000	1	107.7888	0.922	44	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	107.6710	0.972	22	107.7888	0.922	44	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	107.3810	0.000	1	107.3810	0.000	1	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]P[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]P[6])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,5|C<3>}	107.8820	0.000	1	107.8820	0.000	1	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	107.6490	0.000	1	107.5325	0.308	11	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	107.2320	0.000	1	107.5325	0.308	11	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	107.9590	0.000	1	107.5325	0.308	11	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	108.4860	0.000	1	107.5325	0.308	11	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	106.9260	0.892	2	107.5325	0.308	11	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	107.6160	0.096	2	107.5325	0.308	11	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|Pt<4>,1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Se<2>,1|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Se<2>,1|C<4>,3|C<3>,4|H<1>}	107.9390	0.000	1	107.5325	0.308	11	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	107.3070	0.000	1	107.5325	0.308	11	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	107.2020	0.000	1	107.5325	0.308	11	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	107.3430	0.000	1	107.3430	0.000	1	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|P<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P){1|C<4>,3|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P){1|C<4>,3|C<3>,5|H<1>}	105.9045	1.442	2	105.9045	2.079	2	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.2747	0.250	4	108.7778	0.249	13	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	108.9547	0.369	4	108.7778	0.249	13	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.2097	0.328	4	108.7778	0.249	13	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.3540	0.000	1	108.7778	0.249	13	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HO)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	107.9970	0.000	1	107.9970	0.000	1	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	107.5370	0.136	2	107.7653	0.166	3	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	108.2220	0.000	1	107.7653	0.166	3	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	107.7275	1.339	2	107.7275	1.792	2	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5a]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	107.3625	0.892	2	107.3625	0.795	2	107.8790	0.889	89	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:P[4x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6]Mo)(H)	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6]Mo)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Mo<9>,1|C<4>,1|P<3>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Mo<9>,1|C<4>,1|P<3>,3|C<3>,3|H<1>}	105.9210	1.539	2	105.9210	2.367	2	105.9210	2.367	2	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:Si[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(Si[6,6]Si[6,6]Si2)(H)	C[6,6,6a](C[3x6]C[6,6,6a]Si[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]Si[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(Si[6,6]Si[6,6]Si2)(H){2|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]Si[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|Si<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]Si[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|Si<4>,3|C<3>,3|H<1>}	108.8205	0.630	2	108.8205	0.397	2	108.8205	0.397	2	107.6951	0.980	244	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	106.9085	0.538	2	106.2470	0.702	4	106.3292	0.560	5	106.6805	0.672	10	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	105.5855	0.255	2	106.2470	0.702	4	106.3292	0.560	5	106.6805	0.672	10	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	106.6580	0.000	1	106.6580	0.000	1	106.3292	0.560	5	106.6805	0.672	10	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	106.5080	0.000	1	106.6430	0.036	2	106.6430	0.036	2	106.6805	0.672	10	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	106.7780	0.000	1	106.6430	0.036	2	106.6430	0.036	2	106.6805	0.672	10	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:P-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	106.8500	0.929	2	106.8500	0.863	2	106.8500	0.863	2	106.6805	0.672	10	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:Se-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]PtH)(SePt)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Se)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Se)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]PtH)(SePt){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Se)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Se)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,3|C<3>,4|H<1>}	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	106.6805	0.672	10	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a,6a]-3:C[3x6]-4:C[5,6,6a]-3:	C[6,6a,6a]-3:C[3x6]-4:C[6,6,6a]-3:	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[6,6a,6a]C[6,6])	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,9|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6]){10|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[6,6a,6a]C[6,6]){11|C<3>,1|N<3>,1|O<2>}	105.8260	0.000	1	105.8260	0.000	1	105.8260	0.000	1	105.8260	0.000	1	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(C[6a]C[6a]2){3|C<4>,5|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cr<9>,2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cr<9>,2|C<4>,3|H<1>,5|C<3>}	105.5370	0.000	1	105.5370	0.000	1	106.0750	0.311	3	106.3425	0.494	4	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2){2|C<4>,6|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	106.6510	0.000	1	106.3440	0.188	2	106.0750	0.311	3	106.3425	0.494	4	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2){3|C<4>,6|C<3>,7|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	106.0370	0.000	1	106.3440	0.188	2	106.0750	0.311	3	106.3425	0.494	4	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(COO)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	107.1450	0.000	1	107.1450	0.000	1	107.1450	0.000	1	106.3425	0.494	4	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(CCHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(CCHO){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	107.5365	0.209	2	107.5365	0.044	2	107.5365	0.044	2	106.9485	0.947	30	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[5]O[5]2H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[5]O[5]2H){1|O<1>,3|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,2|O<2>,4|C<3>,4|H<1>}	106.9495	0.368	2	106.9495	0.136	2	106.9495	0.136	2	106.9485	0.947	30	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHN)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHN){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	107.2747	0.682	3	107.2747	0.465	3	107.2369	0.892	13	106.9485	0.947	30	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	107.5675	0.060	2	107.7932	0.954	6	107.2369	0.892	13	106.9485	0.947	30	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	108.5620	0.000	2	107.7932	0.954	6	107.2369	0.892	13	106.9485	0.947	30	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	107.2500	1.701	2	107.7932	0.954	6	107.2369	0.892	13	106.9485	0.947	30	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	106.4975	0.254	2	106.4975	0.064	2	107.2369	0.892	13	106.9485	0.947	30	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	106.2510	0.191	2	106.2510	0.036	2	107.2369	0.892	13	106.9485	0.947	30	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]C[5]2Fe)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]C[5]2Fe){1|N<3>,1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,3|H<1>,4|C<3>,4|C<4>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,3|H<1>,4|C<3>,4|C<4>}	107.1300	0.116	2	107.1300	0.013	2	107.5805	0.313	4	106.9485	0.947	30	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	108.0310	0.337	2	108.0310	0.113	2	107.5805	0.313	4	106.9485	0.947	30	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5x6]HH)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5x6]HH)(CH3){1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	106.5250	0.000	1	106.5250	0.000	1	106.1200	0.761	9	106.9485	0.947	30	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H){2|C<4>,3|H<1>,4|C<3>}	105.6398	0.385	6	105.6398	0.148	6	106.1200	0.761	9	106.9485	0.947	30	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	107.9650	0.000	1	107.9650	0.000	1	106.1200	0.761	9	106.9485	0.947	30	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	106.7510	0.000	1	106.7510	0.000	1	106.1200	0.761	9	106.9485	0.947	30	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:5:1:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-5:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]MgHN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]MgHN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Mg<6>,1|C<5>,1|N<3>,3|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Mg<6>,1|C<5>,1|N<3>,3|C<3>,4|H<1>}	105.1110	0.320	2	105.1110	0.102	2	105.1110	0.102	2	105.1110	0.102	2	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	4:3:3:1:	4:3:3:	4:3:3:	B[5,5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](B[5,5,6,6]B[5,5,6,6]N[5,5]S[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]B[5,5,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]B[5,5,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](B[5,5,6,6]B[5,5,6,6]N[5,5]S[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|S<2>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]B[5,5,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]B[5,5,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	109.1990	0.048	2	109.1990	0.002	2	109.1990	0.002	2	107.2534	2.303	39	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:Br-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(Br)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(Br){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	108.8360	1.485	2	108.8360	2.205	2	108.8360	2.205	2	107.2534	2.303	39	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|S<2>,2|H<1>,4|C<3>}	108.5145	0.105	2	108.7047	0.114	3	108.7047	0.114	3	107.2534	2.303	39	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	109.0850	0.000	1	108.7047	0.114	3	108.7047	0.114	3	107.2534	2.303	39	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	106.7200	0.194	2	106.7200	0.038	2	107.0365	1.817	30	107.2534	2.303	39	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	106.2070	0.436	2	105.8822	0.207	4	107.0365	1.817	30	107.2534	2.303	39	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	105.5575	0.093	2	105.8822	0.207	4	107.0365	1.817	30	107.2534	2.303	39	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	105.8311	0.094	10	105.8311	0.009	10	107.0365	1.817	30	107.2534	2.303	39	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	106.6195	0.223	2	106.6195	0.050	2	107.0365	1.817	30	107.2534	2.303	39	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){10|C<3>,1|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,6|C<3>}	108.6140	0.508	2	108.6140	0.258	2	107.0365	1.817	30	107.2534	2.303	39	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){10|C<3>,1|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	108.5348	0.652	10	108.5348	0.425	10	107.0365	1.817	30	107.2534	2.303	39	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br)	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br){2|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	104.8025	0.230	2	104.8025	0.053	2	104.8025	0.053	2	107.2534	2.303	39	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	108.1970	0.000	1	108.1970	0.000	1	108.1970	0.000	1	108.1970	0.000	1	105.9905	2.322	1797	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[3x6]	C[6,6a]	C[6,6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O[6,6]-2:	C[3x6]-4:C[6a,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6])	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])	C[6,6,6a](C[3x6]C[6,6a]2O[6,6])(C[6,6a]C[6a]O[6])2	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6]){1|C<4>,1|N<3>,2|O<2>,8|C<3>}	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6]){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6a]2O[6,6])(C[6,6a]C[6a]O[6])2{1|C<4>,2|H<1>,5|C<3>}	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[4x6]	C[3x6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	4:3:3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[3x6,6a]-3:C[4x6]-4:C[6,6a]-3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6])	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[5a,6]C[6a])	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6]){1|C<4>,2|H<1>,8|C<3>}	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[5a,6]C[6a]){1|H<1>,1|O<2>,1|S<2>,7|C<3>}	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	104.9303	0.911	4	104.9303	0.830	4	105.2095	0.692	8	105.2095	0.692	8	105.2095	0.692	8	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[4x6]	C[3x6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	4:3:3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[3x6,6a]-3:C[4x6]-4:C[6,6a]-3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a])	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a]){1|C<4>,2|H<1>,8|C<3>}	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	105.4888	0.759	4	105.4888	0.576	4	105.2095	0.692	8	105.2095	0.692	8	105.2095	0.692	8	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[4x6]	C[3x6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[3x6,6a]-3:C[6,6]-3:C[6,6a]-3:O[6,6]-2:	C[4x6]-4:C[6,6,6a]-3:C[6,6a]-3:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6])	C[3x6,6a](C[4x6]C[6,6a]C[6,6]O[6,6])(C[6,6,6a]C[5,3x6]C[6a,6a])(C[6,6a]C[6a]Si[6])	C[6,6a](C[4x6]C[3x6,6a]C[6,6]O[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6]){2|Si<4>,1|C<4>,1|H<1>,6|C<3>}	C[3x6,6a](C[4x6]C[6,6a]C[6,6]O[6,6])(C[6,6,6a]C[5,3x6]C[6a,6a])(C[6,6a]C[6a]Si[6]){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	C[6,6a](C[4x6]C[3x6,6a]C[6,6]O[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	119.6490	0.000	1	119.6490	0.000	1	119.6490	0.000	1	119.6490	0.000	1	119.6490	0.000	1	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[4x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6])	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6]){1|C<4>,2|H<1>,8|C<3>}	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	106.3635	0.064	2	106.3635	0.004	2	105.9123	0.319	4	105.9123	0.319	4	105.9123	0.319	4	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[4x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a])	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a]){1|C<4>,2|H<1>,8|C<3>}	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	105.4610	0.373	2	105.4610	0.139	2	105.9123	0.319	4	105.9123	0.319	4	105.9123	0.319	4	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[5x6]	C[6,6,6a]	C[6,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5x6]-4:C[6,6]-4:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[6,6,6a]2C[6,6])(C[6,6]C[3x6]HH)	C[6,6,6a](C[5x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[6,6,6a]2C[6,6])(C[6,6]C[3x6]HH){2|C<4>,4|H<1>,8|C<3>}	C[6,6,6a](C[5x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<4>,4|H<1>,5|C<3>}	C[6,6,6a](C[5x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<4>,4|H<1>,5|C<3>}	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	106.2200	0.909	2	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[5x6]	C[6,6,6a]	C[6,6,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C[5x6]-3:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6])	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6]){10|C<3>,2|Si<4>,1|C<4>,2|H<1>}	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,7|C<3>}	105.5460	0.000	1	105.5460	0.000	1	105.5460	0.000	1	105.5460	0.000	1	106.2200	0.909	2	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6,6a]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H)	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]2H)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H){1|N<3>,2|O<2>,7|C<3>}	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]2H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	109.8479	29.230	8	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	111.2535	0.298	2	111.2535	0.089	2	111.2535	0.089	2	111.2535	0.089	2	109.8479	29.230	8	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6,6a]	3:3:4:1:	3:3:4:	3:4:3:	C[6,6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6]H)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a,6a]Co)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6]H){1|Co<9>,1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a,6a]Co){1|C<4>,1|H<1>,6|C<3>}	101.6070	0.412	2	101.6070	0.169	2	101.6070	0.169	2	101.6070	0.169	2	109.8479	29.230	8	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	C[6,6,6a](C[6,6]C[6,6a]C[6]H)(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]H)(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	114.4843	0.126	3	114.4843	0.016	3	114.4843	0.016	3	114.4843	0.016	3	109.8479	29.230	8	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6,6a]2H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(H){4|O<2>,6|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6,6a]2H){2|H<1>,5|C<3>}	107.2955	3.977	2	107.2955	15.820	2	107.2955	15.820	2	106.7490	8.806	3	108.7880	11.591	9	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]2H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H){1|N<3>,2|O<2>,7|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6]){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]2H){1|C<4>,2|H<1>,5|C<3>}	105.6560	0.000	1	105.6560	0.000	1	105.6560	0.000	1	106.7490	8.806	3	108.7880	11.591	9	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	111.6990	0.000	1	111.1710	0.158	5	111.1710	0.158	5	111.1710	0.158	5	108.7880	11.591	9	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	110.6580	0.000	1	111.1710	0.158	5	111.1710	0.158	5	111.1710	0.158	5	108.7880	11.591	9	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	110.9420	0.000	1	111.1710	0.158	5	111.1710	0.158	5	111.1710	0.158	5	108.7880	11.591	9	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	111.1900	0.000	1	111.1710	0.158	5	111.1710	0.158	5	111.1710	0.158	5	108.7880	11.591	9	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|O<2>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	111.3660	0.000	1	111.1710	0.158	5	111.1710	0.158	5	111.1710	0.158	5	108.7880	11.591	9	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:3:	3:4:3:	3:3:4:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6]-4:C[5a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5a,6a]C[5a,6a,6a]C[5a])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6a]C[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5a,6a]C[5a,6a,6a]C[5a]){10|C<3>,1|N<2>,1|O<1>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6a]C[6]){11|C<3>,1|N<2>}	102.9900	0.000	1	102.9900	0.000	1	102.9900	0.000	1	102.9900	0.000	1	108.7880	11.591	9	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){1|S<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	108.9563	1.100	3	108.9563	1.209	3	108.9563	1.209	3	108.9563	1.209	3	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:N[6]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6])	C[6,6a](C[6,6]C[6,6a]N[5,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]N[5,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6]){1|C<4>,1|N<2>,3|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]N[5,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]N[5,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	109.1030	0.000	1	109.1030	0.000	1	109.1030	0.000	1	109.1030	0.000	1	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|C<4>,1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,9|C<3>}	112.3780	0.368	2	112.3780	0.135	2	112.8508	4.750	24	112.8508	4.750	24	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	111.0397	0.526	3	111.0182	0.104	9	112.8508	4.750	24	112.8508	4.750	24	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	111.2730	0.000	2	111.0182	0.104	9	112.8508	4.750	24	112.8508	4.750	24	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{2|N<3>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	110.8748	0.147	4	111.0182	0.104	9	112.8508	4.750	24	112.8508	4.750	24	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])4{2|H<1>,4|O<2>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O){2|H<1>,7|C<3>}	109.5205	0.443	2	109.5205	0.197	2	112.8508	4.750	24	112.8508	4.750	24	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|C<4>,1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	114.4515	0.220	2	115.0415	0.243	11	112.8508	4.750	24	112.8508	4.750	24	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	114.8780	0.271	3	115.0415	0.243	11	112.8508	4.750	24	112.8508	4.750	24	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	115.1030	0.000	2	115.0415	0.243	11	112.8508	4.750	24	112.8508	4.750	24	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|S<2>,1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	115.8230	0.320	2	115.0415	0.243	11	112.8508	4.750	24	112.8508	4.750	24	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|S<2>,1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	115.0340	0.355	2	115.0415	0.243	11	112.8508	4.750	24	112.8508	4.750	24	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H)	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H){1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	109.8335	0.284	2	109.8335	0.080	2	109.8335	0.080	2	109.8335	0.080	2	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	109.1640	0.000	1	109.1640	0.000	1	108.0950	0.451	5	108.0950	0.451	5	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|O<2>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	107.8278	0.353	4	107.8278	0.125	4	108.0950	0.451	5	108.0950	0.451	5	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(N[6a]C[6a,6a])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(N[6a]C[6a,6a]){1|C<4>,2|H<1>,6|C<3>}	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:Si[6]-4:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(Si[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6a]Si[6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]Si[6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(Si[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6,6]C[6,6a]Si[6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6a]Si[6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,5|C<3>,5|H<1>}	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	110.2130	0.000	1	111.4541	7.043	37	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH){3|H<1>,4|C<3>}	117.3340	0.000	1	117.4583	0.126	3	117.4583	0.126	3	114.3443	9.973	7	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH){1|H<1>,1|O<1>,4|C<3>}	117.5205	0.477	2	117.4583	0.126	3	117.4583	0.126	3	114.3443	9.973	7	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[5a,6a]C)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[5a,6a]C)(C[6]C[6,6a]HH){4|C<3>}	113.4620	0.474	2	113.4620	0.224	2	113.4620	0.224	2	114.3443	9.973	7	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,6|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH){2|H<1>,7|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH){2|H<1>,7|C<3>}	110.5555	0.040	2	110.5555	0.002	2	110.5555	0.002	2	114.3443	9.973	7	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,5|C<3>}	109.7420	0.000	1	109.7420	0.000	1	109.7420	0.000	1	112.8345	8.053	4	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6,6a]HH){1|Pd<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	111.9640	0.000	1	111.9640	0.000	1	113.8653	5.704	3	112.8345	8.053	4	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]HH){1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	116.5460	0.000	1	116.5460	0.000	1	113.8653	5.704	3	112.8345	8.053	4	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Pd)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Pd<4>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Pd)(C[6]C[6,6a]HH){1|Br<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	113.0860	0.000	1	113.0860	0.000	1	113.8653	5.704	3	112.8345	8.053	4	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(H)2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(H)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	118.8817	0.804	8	118.8817	0.647	8	118.8817	0.647	8	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|C<3>,2|O<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]O[6a]O){4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]O[6a]O){4|C<3>}	109.4310	0.000	1	109.4310	0.000	1	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|B<3>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F){1|O<2>,2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F){1|O<2>,2|F<1>,3|C<3>}	116.4600	0.000	1	116.4820	0.001	2	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|B<3>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F){2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F){2|F<1>,4|C<3>}	116.5040	0.000	1	116.4820	0.001	2	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C){3|C<3>,4|H<1>}	111.1453	1.124	3	111.1453	1.264	3	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	113.2770	0.283	2	113.1817	3.950	10	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<5>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<5>,3|C<3>,3|H<1>}	114.7365	0.784	2	113.1817	3.950	10	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	115.4860	0.000	1	113.1817	3.950	10	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	111.8770	0.000	1	113.1817	3.950	10	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	115.4700	0.000	1	113.1817	3.950	10	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	110.9857	1.282	3	113.1817	3.950	10	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	104.8650	0.000	1	111.1819	23.095	7	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	106.2110	0.000	1	111.1819	23.095	7	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){3|C<3>,4|H<1>}	114.7410	0.000	1	111.1819	23.095	7	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	107.2180	0.000	1	111.1819	23.095	7	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	115.0793	0.058	3	111.1819	23.095	7	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]Si)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]Si){1|Si<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	110.4850	0.134	2	110.4850	0.018	2	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Mn<6>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Mn<6>,1|H<1>,1|P<4>,3|C<3>}	111.9700	0.000	1	110.4911	3.358	7	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Ru<5>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Ru<5>,1|C<4>,1|H<1>,3|C<3>}	107.9670	0.000	1	110.4911	3.358	7	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	108.5760	0.000	1	110.4911	3.358	7	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	111.9650	0.000	1	110.4911	3.358	7	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	112.6710	0.000	1	110.4911	3.358	7	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	110.1445	0.869	2	110.4911	3.358	7	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	111.4920	0.000	1	111.4920	0.000	1	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	112.0580	0.000	1	112.0580	0.000	1	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	112.2770	0.000	1	112.2770	0.000	1	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	112.0100	0.000	1	112.0100	0.000	1	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N){3|C<3>}	111.4000	0.000	1	111.4000	0.000	1	111.8802	7.920	37	113.1249	13.912	45	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(SC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HS)	C[6](C[6,6a]C[6,6a]C[6a])2(SC)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HS){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HS){1|S<2>,2|H<1>,4|C<3>}	114.1865	0.115	2	114.1865	0.013	2	114.1865	0.013	2	114.1865	0.013	2	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:1:	3:4:3:	3:4:2:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HS)(C[6a]C[6a]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HS)(N[6a]O[6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H){2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HS)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HS)(N[6a]O[6a]){5|C<3>}	112.3940	0.000	1	112.3940	0.000	1	112.3940	0.000	1	112.3940	0.000	1	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	114.1175	0.050	2	114.1175	0.003	2	114.1175	0.003	2	112.3718	4.032	12	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	110.9980	0.000	1	109.7765	2.984	2	112.1424	5.197	8	112.3718	4.032	12	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	108.5550	0.000	1	109.7765	2.984	2	112.1424	5.197	8	112.3718	4.032	12	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	109.5280	0.000	1	112.9310	3.693	6	112.1424	5.197	8	112.3718	4.032	12	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	114.0070	0.601	2	112.9310	3.693	6	112.1424	5.197	8	112.3718	4.032	12	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	111.7850	0.000	1	112.9310	3.693	6	112.1424	5.197	8	112.3718	4.032	12	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	114.1295	0.155	2	112.9310	3.693	6	112.1424	5.197	8	112.3718	4.032	12	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N){1|C<2>,3|C<3>}	111.5435	0.293	2	111.5435	0.086	2	111.5435	0.086	2	112.3718	4.032	12	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:2:	3:3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]CO)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]CO){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]CO){1|H<1>,1|O<1>,4|C<3>}	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OC){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	113.4595	0.022	2	113.4595	0.000	2	114.0230	0.259	15	113.6988	1.952	17	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Br){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	115.0980	0.000	1	115.0980	0.000	1	114.0230	0.259	15	113.6988	1.952	17	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Cl){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	114.0905	0.387	8	114.0905	0.150	8	114.0230	0.259	15	113.6988	1.952	17	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	113.9010	0.481	4	113.9010	0.232	4	114.0230	0.259	15	113.6988	1.952	17	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:O-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(OC)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OC)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	113.9320	0.000	1	113.9320	0.000	1	111.2675	14.199	2	113.6988	1.952	17	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:O-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(OC[6])(OPt)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]P)	C[6](C[6,6a]C[6,6a]C[6a])2(OC[6])(OPt){2|P<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]P){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]P){1|O<1>,2|H<1>,3|C<3>}	108.6030	0.000	1	108.6030	0.000	1	111.2675	14.199	2	113.6988	1.952	17	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:B-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(BPtN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]BH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]BH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(BPtN)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]BH)(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]BH)(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	106.6270	0.305	2	106.6270	0.093	2	106.6270	0.093	2	111.6814	6.389	27	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H){3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){2|H<1>,3|C<3>}	109.1465	0.177	2	109.1465	0.032	2	110.7194	1.535	8	111.6814	6.389	27	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CNO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CNO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.4300	0.000	1	110.4300	0.000	1	110.7194	1.535	8	111.6814	6.389	27	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	111.9290	0.000	1	111.9290	0.000	1	110.7194	1.535	8	111.6814	6.389	27	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.9793	0.982	3	110.9793	0.964	3	110.7194	1.535	8	111.6814	6.389	27	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(COS)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(COS)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	112.1650	0.000	1	112.1650	0.000	1	110.7194	1.535	8	111.6814	6.389	27	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	111.6814	6.389	27	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H){8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	114.0210	0.000	1	114.0210	0.000	1	114.0210	0.000	1	111.6814	6.389	27	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	111.6814	6.389	27	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	111.8780	0.000	1	111.8780	0.000	1	110.7092	0.814	4	111.6814	6.389	27	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	110.3197	0.557	3	110.3197	0.311	3	110.7092	0.814	4	111.6814	6.389	27	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	114.6877	0.673	8	114.6877	0.453	8	114.0229	2.324	10	111.6814	6.389	27	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	111.3635	0.247	2	111.3635	0.061	2	114.0229	2.324	10	111.6814	6.389	27	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){3|H<1>,5|C<3>}	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	113.8300	43.357	2	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	113.8300	43.357	2	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	111.9110	0.000	1	111.9110	0.000	1	111.9110	0.000	1	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:Cl-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]N[5a])(Cl)	C[6,6a](C[6]C[6,6a]C[5a]Cl)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5a]Cl)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]N[5a])(Cl){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]Cl)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]Cl)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	115.6400	0.052	2	115.6400	0.003	2	115.6400	0.003	2	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]O[5a])(H)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]O[5a])(H){1|S<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	112.7100	0.000	1	112.7100	0.000	1	112.9637	0.048	3	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])(H)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])(H){1|H<1>,2|O<2>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	113.0905	0.004	2	113.0905	0.000	2	112.9637	0.048	3	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	111.1720	0.000	1	110.9493	0.121	3	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	110.8380	0.409	2	110.9493	0.121	3	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,5|C<3>}	103.2903	0.605	4	103.0466	0.764	8	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,5|C<3>}	102.8030	1.121	4	103.0466	0.764	8	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	104.4070	0.000	1	107.7900	9.024	3	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	108.8180	0.000	1	107.7900	9.024	3	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	110.1450	0.000	1	107.7900	9.024	3	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]I[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]I[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|I<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]I[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]I[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.6310	0.000	1	113.6310	0.000	1	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	109.8980	0.946	2	110.1142	0.687	4	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Li<4>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Li<4>,2|H<1>,5|C<3>}	109.6310	0.000	1	110.1142	0.687	4	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	111.0300	0.000	1	110.1142	0.687	4	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){2|H<1>,6|C<3>}	109.2260	0.000	1	109.2260	0.000	1	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	110.2880	0.000	1	110.2880	0.000	1	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,5|N<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	109.1610	0.000	1	109.6050	0.394	2	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	110.0490	0.000	1	109.6050	0.394	2	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|H<1>,5|C<3>}	107.8130	0.000	1	107.8130	0.000	1	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,2|N<2>,2|O<2>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N){5|C<3>}	108.1110	0.000	1	108.1110	0.000	1	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|P<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	116.6540	0.000	1	116.4143	3.809	3	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	116.2945	2.744	2	116.4143	3.809	3	108.5204	19.354	28	109.4309	20.199	34	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	111.4680	0.000	1	113.8122	1.739	5	113.8122	1.739	5	113.5285	1.874	6	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	114.4430	0.283	2	113.8122	1.739	5	113.8122	1.739	5	113.5285	1.874	6	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	114.3535	0.022	2	113.8122	1.739	5	113.8122	1.739	5	113.5285	1.874	6	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H){8|C<3>}	112.1100	0.000	1	112.1100	0.000	1	112.1100	0.000	1	113.5285	1.874	6	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	110.2280	0.000	1	110.2280	0.000	1	110.2280	0.000	1	110.5792	3.496	33	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	110.1397	0.254	3	110.1397	0.065	3	110.5902	3.605	32	110.5792	3.496	33	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	105.8760	0.000	1	105.8760	0.000	1	110.5902	3.605	32	110.5792	3.496	33	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	110.3360	0.000	1	110.3360	0.000	1	110.5902	3.605	32	110.5792	3.496	33	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	109.9190	0.000	1	110.2020	0.160	2	110.5902	3.605	32	110.5792	3.496	33	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	110.4850	0.000	1	110.2020	0.160	2	110.5902	3.605	32	110.5792	3.496	33	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|H<1>,2|O<2>,6|C<3>}	114.7190	0.363	2	114.7190	0.132	2	110.5902	3.605	32	110.5792	3.496	33	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	112.9352	0.664	5	112.9390	0.353	6	110.5902	3.605	32	110.5792	3.496	33	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,2|O<2>,5|C<3>}	112.9580	0.000	1	112.9390	0.353	6	110.5902	3.605	32	110.5792	3.496	33	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	109.5770	0.350	16	109.6929	0.343	17	110.5902	3.605	32	110.5792	3.496	33	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,5|C<3>}	111.5470	0.000	1	109.6929	0.343	17	110.5902	3.605	32	110.5792	3.496	33	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]C[6a]2)(C[6a]C[5a,6a]Cl)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|Cl<1>,1|C<4>,5|H<1>,8|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]C[6a]2)(C[6a]C[5a,6a]Cl){10|C<3>,1|S<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,9|C<3>}	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	107.7543	1.397	6	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	107.3205	0.279	2	107.8158	1.718	5	107.8158	1.718	5	107.7543	1.397	6	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,9|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,9|C<3>}	108.1460	1.729	3	107.8158	1.718	5	107.8158	1.718	5	107.7543	1.397	6	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH){4|O<2>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	110.4760	0.000	1	110.4760	0.000	1	110.4760	0.000	1	110.4760	0.000	1	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	107.1540	1.202	2	107.9369	1.279	8	107.8560	1.178	9	109.5092	3.649	18	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	108.1978	1.084	6	107.9369	1.279	8	107.8560	1.178	9	109.5092	3.649	18	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|O<2>,6|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	107.2090	0.000	1	107.2090	0.000	1	107.8560	1.178	9	109.5092	3.649	18	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	109.6130	0.000	1	109.6130	0.000	1	111.1624	0.427	9	109.5092	3.649	18	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	111.3561	0.320	8	111.3561	0.103	8	111.1624	0.427	9	109.5092	3.649	18	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6]C[6,6a]C[6a]C)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6,6a]C[6a]C)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6]C[6,6a]C[6a]C){1|O<1>,9|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6,6a]C[6a]C){10|C<3>,1|C<4>}	99.2556	0.000	1	99.2556	0.000	1	99.2556	0.000	1	99.2556	0.000	1	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	105.8900	0.000	1	107.5108	1.948	5	107.5108	1.948	5	107.9870	2.919	6	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	107.9160	1.226	4	107.5108	1.948	5	107.5108	1.948	5	107.9870	2.919	6	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCHH)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCHH){5|O<2>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	107.9870	2.919	6	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:3:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)(H){1|N<3>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH){3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH){3|H<1>,5|C<3>}	110.9160	0.000	1	110.9160	0.000	1	110.9160	0.000	1	110.9160	0.000	1	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:2:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	109.7660	0.000	1	109.7532	0.017	4	109.7532	0.017	4	109.7532	0.017	4	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:2:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	109.7490	0.160	3	109.7532	0.017	4	109.7532	0.017	4	109.7532	0.017	4	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.4430	0.235	2	109.4430	0.055	2	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.1210	0.000	1	108.1210	0.000	1	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	102.4444	0.815	7	102.4510	0.423	13	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|H<1>,3|C<3>,3|C<4>}	102.4587	0.467	6	102.4510	0.423	13	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	109.7045	0.260	2	109.5627	0.094	3	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	109.2790	0.000	1	109.5627	0.094	3	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	113.8805	0.603	2	114.0340	0.253	3	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.3410	0.000	1	114.0340	0.253	3	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]I[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]I[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|I<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]I[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]I[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	109.8420	0.160	2	109.8420	0.026	2	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[5]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[5]CH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	111.5770	0.000	1	111.5770	0.000	1	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	113.3390	0.000	1	113.3390	0.000	1	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	109.3670	0.000	1	109.3670	0.000	1	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	113.9860	0.000	1	113.9860	0.000	1	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	109.9090	0.460	3	109.9090	0.212	3	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	109.6380	0.000	1	109.6380	0.000	1	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	112.5194	0.477	5	112.5194	0.228	5	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	111.4200	0.000	1	111.4200	0.000	1	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CN3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CN3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.9310	0.000	1	112.9310	0.000	1	108.3058	20.055	39	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	108.2075	0.312	2	108.2075	0.097	2	108.0637	0.111	3	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	107.7760	0.000	1	107.7760	0.000	1	108.0637	0.111	3	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:Si-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(SiC3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(SiC3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	113.9230	0.000	1	113.9230	0.000	1	111.3670	13.066	2	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:Si-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(SiC[6a]HO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(SiC[6a]HO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.8110	0.000	1	108.8110	0.000	1	111.3670	13.066	2	108.4284	18.457	44	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:2:	4:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2C)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	109.1950	0.000	1	109.1950	0.000	1	110.9190	5.464	4	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]C)(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	111.9730	0.000	1	111.9730	0.000	1	110.9190	5.464	4	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2C)(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2C)(H){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	108.7960	0.000	1	108.7960	0.000	1	110.9190	5.464	4	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	113.7120	0.000	1	113.7120	0.000	1	110.9190	5.464	4	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){2|Cl<1>,1|C<4>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<4>,2|C<2>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<4>,2|C<2>,2|H<1>,5|C<3>}	109.0560	0.000	2	109.0560	0.000	2	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,2|H<1>,5|C<3>}	108.7050	0.000	1	108.1279	0.326	18	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	108.0029	0.496	15	108.1279	0.326	18	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	108.7770	0.833	2	108.1279	0.326	18	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|O<2>,4|C<3>,4|N<2>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O){1|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O){1|H<1>,3|C<4>,5|C<3>}	107.5850	0.000	1	107.5850	0.000	1	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,6|C<3>}	107.5400	0.498	2	107.5400	0.248	2	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|C<2>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	107.9696	0.539	12	107.9696	0.290	12	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|Cl<1>,1|C<4>,1|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	108.6570	0.000	1	108.6570	0.000	1	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	107.9663	0.430	12	108.4806	2.905	48	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	107.1750	0.000	1	108.4806	2.905	48	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	108.8070	0.610	2	108.4806	2.905	48	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	107.2992	0.224	6	108.4806	2.905	48	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	109.5417	1.789	10	108.4806	2.905	48	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	107.6629	0.415	13	108.4806	2.905	48	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	108.9900	0.000	1	108.4806	2.905	48	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	110.5150	0.000	1	108.4806	2.905	48	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|H<1>,9|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	114.1750	0.550	2	108.4806	2.905	48	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|N<3>,9|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N){1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N){1|O<1>,3|H<1>,5|C<3>}	110.0340	0.000	1	110.0340	0.000	1	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a])	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|N<2>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	108.5220	0.000	1	108.5220	0.000	1	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|O<2>,9|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,3|H<1>,5|C<3>}	110.8770	0.000	1	110.8770	0.000	1	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,3|H<1>,5|C<3>}	108.4940	1.165	2	108.7340	0.852	3	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	109.2140	0.000	1	108.7340	0.852	3	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]C)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){3|C<4>,4|C<3>,4|N<2>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]C){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]C){2|C<4>,2|H<1>,5|C<3>}	109.7430	0.000	1	109.7430	0.000	1	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	107.5790	0.000	1	107.5790	0.000	1	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	108.4240	0.000	1	108.4240	0.000	1	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|Cl<1>,3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){2|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	107.0705	0.320	2	107.0705	0.103	2	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|O<1>,1|S<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	111.9680	0.000	1	111.9680	0.000	1	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|H<1>,1|O<2>,2|C<3>,3|O<1>,4|N<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	110.2360	0.000	1	110.2360	0.000	1	108.4141	1.932	97	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:Ge[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(Ge[6]C[6,6a]2C[6a])(H)	C[6,6a](C[6]C[6,6a]Ge[6]H)(C[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]Ge[6]H)(C[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(Ge[6]C[6,6a]2C[6a])(H){10|C<3>,1|Ge<4>,2|H<1>}	C[6,6a](C[6]C[6,6a]Ge[6]H)(C[6,6a]C[6a]Ge[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]Ge[6]H)(C[6,6a]C[6a]Ge[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	119.1300	0.000	1	119.1300	0.000	1	119.1300	0.000	1	108.6174	3.343	102	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	113.4280	0.000	1	113.4280	0.000	1	112.7333	0.270	9	112.7333	0.270	9	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	112.7590	0.558	4	112.6465	0.232	8	112.7333	0.270	9	112.7333	0.270	9	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	112.5340	0.442	4	112.6465	0.232	8	112.7333	0.270	9	112.7333	0.270	9	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O){3|C<3>,3|C<4>}	109.5540	0.000	1	109.5540	0.000	1	109.5540	0.000	1	111.1990	2.004	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(OH){1|C<4>,2|C<3>,2|N<2>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	110.9600	0.093	2	110.9600	0.009	2	111.4340	1.823	7	111.1990	2.004	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	111.8900	0.808	2	112.3180	0.876	3	111.4340	1.823	7	111.1990	2.004	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	113.1740	0.000	1	112.3180	0.876	3	111.4340	1.823	7	111.1990	2.004	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	109.0120	0.000	1	109.0120	0.000	1	111.4340	1.823	7	111.1990	2.004	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	112.1520	0.000	1	112.1520	0.000	1	111.4340	1.823	7	111.1990	2.004	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	107.7370	0.000	1	107.9177	0.024	3	108.3754	1.349	5	109.4436	3.023	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	108.0080	0.000	2	107.9177	0.024	3	108.3754	1.349	5	109.4436	3.023	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CN)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CN){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	107.6880	0.000	1	107.6880	0.000	1	108.3754	1.349	5	109.4436	3.023	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(CN)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(CN){1|Br<1>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	110.4360	0.000	1	110.4360	0.000	1	108.3754	1.349	5	109.4436	3.023	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2O)(OH)	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2O)(OH){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	111.5225	0.131	2	111.5225	0.017	2	111.2240	0.276	3	109.4436	3.023	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]N[6]H)(OSi)	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]N[6]H)(OSi){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	110.6270	0.000	1	110.6270	0.000	1	111.2240	0.276	3	109.4436	3.023	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC3)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|H<1>,4|C<3>}	109.9930	0.000	1	109.9930	0.000	1	112.9707	2.147	6	113.2371	2.106	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	113.5800	0.000	1	113.5800	0.000	1	112.9707	2.147	6	113.2371	2.106	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	113.4225	0.013	2	113.4225	0.000	2	112.9707	2.147	6	113.2371	2.106	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	113.7030	0.126	2	113.7030	0.016	2	112.9707	2.147	6	113.2371	2.106	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(NOO){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	115.1090	0.000	1	115.1090	0.000	1	114.0365	2.301	2	113.2371	2.106	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(NOO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	112.9640	0.000	1	112.9640	0.000	1	114.0365	2.301	2	113.2371	2.106	8	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CCO)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CCO){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	108.3530	0.000	1	108.3530	0.000	1	107.5948	0.198	15	107.5948	0.198	15	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CHO)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CHO){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	107.2605	0.258	6	107.2605	0.067	6	107.5948	0.198	15	107.5948	0.198	15	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(COO)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(COO){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	107.7507	0.379	8	107.7507	0.144	8	107.5948	0.198	15	107.5948	0.198	15	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	111.7510	0.000	1	111.7510	0.000	1	111.7510	0.000	1	110.5764	1.779	7	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2{1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	111.8680	0.164	2	111.8680	0.027	2	111.8680	0.027	2	110.5764	1.779	7	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]CC){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	110.5764	1.779	7	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.0693	0.279	3	110.0693	0.078	3	110.0693	0.078	3	110.5764	1.779	7	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,3|C<3>}	112.8900	0.000	1	112.8900	0.000	1	112.8900	0.000	1	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	109.4895	1.281	2	109.4895	1.640	2	109.4895	1.640	2	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6,6a]C[6,6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|C<4>,4|C<3>}	115.6950	0.049	2	115.6950	0.002	2	112.6107	9.644	75	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	113.7930	1.408	4	113.7930	1.981	4	112.6107	9.644	75	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	113.6300	1.061	2	113.6300	1.125	2	112.6107	9.644	75	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	115.5180	0.000	1	115.5180	0.000	1	112.6107	9.644	75	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	114.1988	2.030	5	115.4969	1.686	28	112.6107	9.644	75	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	115.6084	1.019	16	115.4969	1.686	28	112.6107	9.644	75	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	116.1694	0.531	7	115.4969	1.686	28	112.6107	9.644	75	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	112.9435	0.342	2	112.9435	0.117	2	112.6107	9.644	75	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|C<4>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|C<4>,4|C<3>}	111.0717	0.397	3	109.9072	3.692	36	112.6107	9.644	75	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	109.9822	1.823	16	109.9072	3.692	36	112.6107	9.644	75	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	109.8314	2.801	8	109.9072	3.692	36	112.6107	9.644	75	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	109.4531	1.504	9	109.9072	3.692	36	112.6107	9.644	75	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	113.2760	0.000	1	113.2760	0.000	1	113.2760	0.000	1	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	111.9990	2.509	2	112.3883	3.602	3	112.3883	3.602	3	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	113.1670	0.000	1	112.3883	3.602	3	112.3883	3.602	3	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6a](C[6,6a,6a]B[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]B[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]B[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6,6a]B[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	116.0148	0.483	5	116.0148	0.233	5	115.2829	1.788	8	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6a](C[6,6a,6a]C[5a,6a,6a]B[6,6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]B[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]B[6,6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6,6a]B[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	115.6730	0.000	1	115.6730	0.000	1	115.2829	1.788	8	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	112.7320	0.000	1	113.2580	0.553	2	115.2829	1.788	8	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	113.7840	0.000	1	113.2580	0.553	2	115.2829	1.788	8	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>}	106.4355	0.036	2	106.4355	0.001	2	106.4355	0.001	2	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CCHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CCHO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	109.1660	0.000	1	109.1660	0.000	1	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CH3){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.6410	0.000	1	109.6410	0.000	1	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	111.6680	0.000	1	111.6680	0.000	1	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	113.1820	0.000	1	113.1820	0.000	1	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	107.1175	0.166	2	107.1175	0.028	2	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|C<3>,3|H<1>}	111.3930	1.318	2	111.3930	1.737	2	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){2|C<4>,2|H<1>,3|C<3>}	102.0742	0.526	5	102.0742	0.277	5	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	113.8975	0.166	2	111.3437	7.030	26	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	112.2125	0.231	2	111.3437	7.030	26	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	110.5290	0.000	1	111.3437	7.030	26	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	112.5335	0.268	4	111.3437	7.030	26	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,1|P<4>,3|C<3>}	108.6190	0.000	1	111.3437	7.030	26	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|H<1>,1|N<4>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|H<1>,1|N<4>,1|P<4>,3|C<3>}	109.1230	0.000	1	111.3437	7.030	26	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	112.7060	0.000	1	111.3437	7.030	26	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	104.5620	0.000	1	111.3437	7.030	26	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	113.1280	3.261	2	111.3437	7.030	26	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|C<3>,4|H<1>}	109.4160	0.000	1	111.3437	7.030	26	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<4>,1|N<3>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<4>,1|N<3>,1|P<4>,3|C<3>}	112.4180	0.000	1	111.3437	7.030	26	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<4>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<4>,1|H<1>,1|P<4>,3|C<3>}	112.4975	0.282	2	111.3437	7.030	26	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	113.0883	0.186	3	111.3437	7.030	26	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	108.6735	3.268	4	111.3437	7.030	26	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	106.6185	0.022	2	106.8925	0.261	4	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	107.1665	0.695	2	106.8925	0.261	4	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	111.6440	0.000	1	109.6544	2.289	52	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	111.2350	0.000	1	109.6544	2.289	52	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	111.6580	0.000	1	109.6544	2.289	52	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|C<3>,3|H<1>}	110.1880	0.781	2	109.6544	2.289	52	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	109.5131	1.505	47	109.6544	2.289	52	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	107.6937	1.868	4	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	108.3450	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	106.7080	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	107.9043	1.323	8	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Bi<3>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Bi<3>,1|H<1>,3|C<3>}	107.3770	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	110.3000	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	109.5300	1.495	3	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	109.0250	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	108.6525	1.309	6	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	109.9405	0.506	2	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,4|C<3>}	110.0651	1.084	12	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	110.2140	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	110.3340	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	109.2780	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	108.6485	1.077	2	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	109.2010	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	107.6152	1.373	69	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	108.9953	1.575	20	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<3>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<3>,1|H<1>,3|C<3>}	109.9740	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	107.8588	1.732	21	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<5>,1|H<1>,3|C<3>}	106.5667	0.140	3	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<2>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<2>,1|H<1>,3|C<3>}	109.6690	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<2>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<3>,1|H<1>,3|C<3>}	106.4070	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<3>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<3>,1|H<1>,3|C<3>}	106.5720	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<3>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.7760	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<4>,1|H<1>,3|C<3>}	110.1470	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	109.0205	1.371	2	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|P<4>,3|C<3>}	108.2010	1.163	4	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Os<6>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Os<6>,1|H<1>,1|P<4>,3|C<3>}	109.7555	0.920	6	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Os<7>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Os<7>,1|H<1>,1|P<4>,3|C<3>}	109.7145	1.759	2	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,3|C<3>}	110.6240	0.033	2	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,3|C<3>}	109.2550	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<4>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<4>,1|H<1>,1|P<4>,3|C<3>}	109.6451	1.481	8	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<5>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<5>,1|H<1>,1|P<4>,3|C<3>}	108.4660	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<6>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<6>,1|H<1>,1|P<4>,3|C<3>}	109.6050	1.151	3	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<5>,1|Si<4>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<5>,1|C<4>,1|P<4>,3|C<3>}	105.8690	0.000	1	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<5>,1|Si<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<5>,1|Si<4>,1|H<1>,3|C<3>}	105.9893	0.737	3	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|P<4>,3|C<3>}	109.8118	1.875	5	108.3869	2.739	203	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>}	108.6520	0.000	1	110.2110	3.053	19	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|B<4>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|C<4>,1|P<4>,3|C<3>}	108.8310	0.000	1	110.2110	3.053	19	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pd<5>,1|B<4>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pd<5>,1|C<4>,1|P<4>,3|C<3>}	109.5090	0.000	1	110.2110	3.053	19	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pt<4>,1|B<3>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|P<4>,3|C<3>}	109.2090	0.158	2	110.2110	3.053	19	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<4>,1|B<3>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<4>,1|C<4>,1|P<4>,3|C<3>}	108.6010	0.000	1	110.2110	3.053	19	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<5>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<5>,1|C<4>,1|P<4>,3|C<3>}	109.1810	0.000	1	110.2110	3.053	19	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<6>,1|B<4>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<6>,1|C<4>,1|P<4>,3|C<3>}	109.1220	0.000	1	110.2110	3.053	19	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	110.1470	1.361	6	110.2110	3.053	19	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	112.9150	0.000	1	110.2110	3.053	19	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	114.4680	0.000	1	110.2110	3.053	19	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	111.1433	1.723	3	110.2110	3.053	19	108.8711	4.651	317	109.7198	8.267	409	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	4:3:2:	4:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(CH3)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(CH3){1|C<4>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CH3)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CH3){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	107.4400	0.000	1	107.4400	0.000	1	107.8993	0.209	3	107.8993	0.209	3	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CN[5]HH)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CN[5]HH){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	107.9040	0.000	1	107.9040	0.000	1	107.8993	0.209	3	107.8993	0.209	3	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CHHN)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CHHN){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	108.3540	0.000	1	108.3540	0.000	1	107.8993	0.209	3	107.8993	0.209	3	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	5:3:3:1:	4:3:3:	4:3:3:	C[3,3,5,4x6]-5:C[6,6a]-3:C[6,6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6]C[3,3,5,4x6]C[6,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[3,3,5,4x6]C[6,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,4|B<6>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[3,3,5,4x6]C[6,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Fe<11>,1|C<6>,2|B<6>,3|C<3>,4|H<1>}	C[6,6a](C[6]C[3,3,5,4x6]C[6,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Fe<11>,1|C<6>,2|B<6>,3|C<3>,4|H<1>}	112.7485	0.189	2	112.7485	0.036	2	112.7485	0.036	2	112.7485	0.036	2	110.0149	9.934	846	107.3455	8.608	2714
466	643	643	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	6:3:3:1:	4:3:3:	4:3:3:	C[5x3,5x5,20x6]-6:C[6,6a]-3:C[6,6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6]C[5x3,5x5,20x6]C[6,6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[5x3,5x5,20x6]C[6,6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,4|C<3>,5|B<6>,7|H<1>}	C[6,6a](C[6]C[5x3,5x5,20x6]C[6,6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[6,6a](C[6]C[5x3,5x5,20x6]C[6,6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	110.0149	9.934	846	107.3455	8.608	2714