466	474	952	0:SP3_SP3_SP3	C[6]	C[5,6]	S	3:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HS)(C[5]C[5]HH)(H)	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HS)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	109.1350	0.421	2	109.1350	0.178	2	108.1873	1.278	4	108.1873	1.278	4	109.7222	4.518	10	109.7222	4.518	10
466	474	952	0:SP3_SP3_SP3	C[6]	C[5,6]	S	3:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	107.0620	0.000	1	107.2395	0.063	2	108.1873	1.278	4	108.1873	1.278	4	109.7222	4.518	10	109.7222	4.518	10
466	474	952	0:SP3_SP3_SP3	C[6]	C[5,6]	S	3:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H)	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HS)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	107.4170	0.000	1	107.2395	0.063	2	108.1873	1.278	4	108.1873	1.278	4	109.7222	4.518	10	109.7222	4.518	10
466	474	952	0:SP3_SP3_SP3	C[6]	C[5,6]	S	4:3:4:1:	3:4:3:4:	4:3:1:1:	C[5,6]-4:C[6,6a]-3:S-4:H-1:	N[5,6]-3:C[6]-4:C[6a]-3:C[5]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[5]O[5]HH)	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[5]O[5]HH){1|O<1>,4|C<3>,4|H<1>}	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	113.8320	0.000	1	113.8320	0.000	1	113.8320	0.000	1	113.8320	0.000	1	109.7222	4.518	10	109.7222	4.518	10
466	474	952	0:SP3_SP3_SP3	C[6]	C[5,6]	S	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6]-3:S-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(SC[6a]OO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H)	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HS)(H){1|N<3>,2|O<1>,4|H<1>}	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	109.7222	4.518	10	109.7222	4.518	10
466	474	952	0:SP3_SP3_SP3	C[6]	C[5,6]	S	4:4:4:1:	4:3:4:1:	4:3:1:1:	C[5,6]-4:C[6]-4:S-4:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]O[6]HH)(SC[6a]OO)(H)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(C[6]C[6]HS)(H)	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]O[6]HH)(SC[6a]OO)(H){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(C[6]C[6]HS)(H){1|C<4>,2|O<2>,4|H<1>}	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	112.7490	0.000	1	112.7490	0.000	1	112.7490	0.000	1	112.7490	0.000	1	109.7222	4.518	10	109.7222	4.518	10
466	474	952	0:SP3_SP3_SP3	C[6]	C[5,6]	S	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6]-4:S-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H)	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H){3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(C[6]C[6]HS)(H){2|C<4>,4|H<1>}	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	109.7222	4.518	10	109.7222	4.518	10
466	474	952	0:SP3_SP3_SP3	C[6]	C[5,6]	S	4:4:4:4:	3:4:4:1:	4:3:1:1:	C[5,6]-4:C[6]-4:S-4:S-4:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)2	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H)	S(C[6]C[5,6]C[6]S)(C[6a]C[6a]2)(O)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)2{2|C<3>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]SS)(H){1|C<4>,1|O<1>,3|H<1>}	S(C[6]C[5,6]C[6]S)(C[6a]C[6a]2)(O)2	109.8725	0.124	2	109.8725	0.015	2	109.8725	0.015	2	109.8725	0.015	2	109.7222	4.518	10	109.7222	4.518	10
466	474	956	0:SP3_SP2_SP3	C[3x6]	C[5,6,6]	N	4:4:3:3:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:N-3:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[3x6]-4:C-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[3x6]H)(NCH)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H)	N(C[3x6]C[5,6,6]2C[6,6])(CC[6a]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[3x6]H)(NCH){2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]N)(C[5,6,6]C[4x6]C[5]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N(C[3x6]C[5,6,6]2C[6,6])(CC[6a]O)(H)	112.3885	1.723	2	112.3885	2.969	2	112.3885	2.969	2	112.3885	2.969	2	112.3885	2.969	2	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6,6]	C[5,3x6]	N	4:4:3:1:	3:4:4:4:	4:1:1:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[5,6,6]-3:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:O-1:O-1:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,2|O<2>,3|C<4>}	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	115.9160	0.000	1	115.9160	0.000	1	115.9160	0.000	1	115.9160	0.000	1	114.0150	7.228	2	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6,6]	C[5,3x6]	N	4:4:3:1:	4:4:4:4:	4:1:1:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:O-1:O-1:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5,3x6](C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|O<1>,1|O<2>,3|C<4>}	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	112.1140	0.000	1	112.1140	0.000	1	112.1140	0.000	1	112.1140	0.000	1	114.0150	7.228	2	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6,6]	C[5,4x6]	N	4:4:3:1:	4:4:4:4:	4:1:1:	C[5,4x6]-4:C[6,6]-4:N-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:O-1:O-1:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN)	N(C[6,6]C[5,4x6]C[6,6]H)(O)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){2|O<2>,3|H<1>,5|C<4>}	C[5,4x6](C[5,3x6]C[6,6]O[5]O[6])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HN){11|H<1>,1|C<3>,3|C<4>}	N(C[6,6]C[5,4x6]C[6,6]H)(O)2	108.8480	0.000	1	108.8480	0.000	1	108.8480	0.000	1	108.8480	0.000	1	108.8480	0.000	1	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6,6]	C[5,6]	N	4:4:4:3:	4:4:4:2:	4:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	C[6,6]-4:O-1:O-1:	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO)	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	N(C[6,6]C[5,6]C[6,6]C[6])(O)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO){2|C<3>,4|C<4>,7|H<1>}	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<4>,7|H<1>}	N(C[6,6]C[5,6]C[6,6]C[6])(O)2	106.6827	0.681	3	106.6827	0.464	3	106.6827	0.464	3	106.6827	0.464	3	106.6827	0.464	3	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H)	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H)	N(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]O[5]O[6]H)(C[6]C[6,6a]HN)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:3:3:1:	3:4:4:3:	4:3:1:	C[5,6]-4:C[6]-3:N-3:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(NCH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HN)(C[5]N[5]O)	N(C[6]C[5,6]C[6]H)(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HN)(C[5]N[5]O){4|C<3>,4|H<1>}	N(C[6]C[5,6]C[6]H)(COO)(H)	113.6790	0.000	1	113.6790	0.000	1	113.6790	0.000	1	113.6790	0.000	1	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:3:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:N-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N(C[6]C[5,6]C[6]H)(CCO)(H)	110.0280	0.000	1	110.0280	0.000	1	110.5160	0.476	2	110.5160	0.476	2	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:3:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:N-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N(C[6]C[5,6]C[6]H)(CCO)(H)	111.0040	0.000	1	111.0040	0.000	1	110.5160	0.476	2	110.5160	0.476	2	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	2:4:2:1:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	N(C[6]C[5,6]C[6]H)(CCO)(H)	107.8473	0.743	3	108.5482	2.334	4	108.5482	2.334	4	108.5482	2.334	4	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	2:4:2:1:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HN)(O[5]C[5])(H){1|O<2>,2|C<4>,3|H<1>}	N(C[6]C[5,6]C[6]H)(CCO)(H)	110.6510	0.000	1	108.5482	2.334	4	108.5482	2.334	4	108.5482	2.334	4	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	3:3:4:2:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5]-3:C[5]-3:C[6]-4:O[6]-2:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5]2O[6])(C[6]C[6a]C[6]H)(NOO)(H)	C[5,6](C[5]C[5,6a]O)2(C[6]C[6]HN)(O[6]C[6])	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5]2O[6])(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[5,6](C[5]C[5,6a]O)2(C[6]C[6]HN)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N(C[6]C[5,6]C[6]H)(O)2	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	3:4:3:2:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:O[6]-2:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6]H)(NOO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HN)(C[5]N[5]O)(O[6]C[6])	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HN)(C[5]N[5]O)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N(C[6]C[5,6]C[6]H)(O)2	110.7500	0.677	2	110.7500	0.459	2	110.7500	0.459	2	110.7500	0.459	2	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	3:4:4:4:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6]-4:O-1:O-1:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6a]C[6]H)(NOO)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)(CH3)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)(CH3){2|C<3>,6|H<1>}	N(C[6]C[5,6]C[6]H)(O)2	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:2:4:1:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,3x6]-4:O[5]-2:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H)	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]HN)(H){2|C<3>,3|C<4>,5|H<1>}	N(C[6]C[5,6]C[6]H)(CCO)(H)	108.2720	0.000	1	108.2720	0.000	1	108.2720	0.000	1	108.2720	0.000	1	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:3:3:4:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H)	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)2(C[6]C[6]HN)	N(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)2(C[6]C[6]HN){1|C<4>,2|H<1>,6|C<3>}	N(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	113.1010	0.000	1	113.1010	0.000	1	113.1010	0.000	1	113.1010	0.000	1	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:3:4:1:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5]C[6])(C[6]C[6]HN)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	N(C[6]C[5,6]C[6]H)(O)2	111.8940	0.000	1	111.8940	0.000	1	111.8940	0.000	1	111.8940	0.000	1	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){3|C<4>,4|H<1>}	N(C[6]C[5,6]C[6]H)(CCO)(H)	111.7350	0.000	1	111.7350	0.000	1	111.4070	0.215	2	111.4070	0.215	2	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	N(C[6]C[5,6]C[6]H)(COO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[5,6]C[6]H)(COO)(H)	111.0790	0.000	1	111.0790	0.000	1	111.4070	0.215	2	111.4070	0.215	2	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:2:4:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	110.0270	0.000	1	110.0270	0.000	1	110.0270	0.000	1	110.0270	0.000	1	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6]HN)(H)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6]HN)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	N(C[6]C[5,6]C[6]H)(O)2	110.2070	0.000	1	110.2070	0.000	1	110.2070	0.000	1	110.2490	0.004	2	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:4:1:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HN)(H){3|H<1>,5|C<3>}	N(C[6]C[5,6]C[6]H)(O)2	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	110.2490	0.004	2	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H)	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H)	N(C[6]C[5,6]C[6]H)(CHO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	N(C[6]C[5,6]C[6]H)(CHO)(H)	112.8840	0.000	1	112.8840	0.000	1	112.8840	0.000	1	112.8840	0.000	1	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:4:1:	4:4:4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H)	N(C[6]C[5,6]C[6]H)(CC[6a]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H){2|H<1>,6|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(H){1|C<4>,8|H<1>}	N(C[6]C[5,6]C[6]H)(CC[6a]HH)(SC[6a]OO)	112.8400	0.000	1	112.8400	0.000	1	112.8400	0.000	1	112.8400	0.000	1	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:4:2:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N(C[6]C[5,6]C[6]H)(O)2	109.3322	0.508	5	109.0427	0.455	7	109.0427	0.455	7	109.0427	0.455	7	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:4:2:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N(C[6]C[5,6]C[6]H)(O)2	108.3190	0.484	2	109.0427	0.455	7	109.0427	0.455	7	109.0427	0.455	7	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:4:4:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HN)(CH3)	N(C[6]C[5,6]C[6]H)(CNO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HN)(CH3){2|C<4>,7|H<1>}	N(C[6]C[5,6]C[6]H)(CNO)(H)	113.8470	0.000	2	113.8470	0.000	2	113.8470	0.000	2	113.8470	0.000	2	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H)	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(CCHH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H){1|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(C[6]C[6]HN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(CCHH)	110.2895	0.383	2	110.2895	0.146	2	110.2895	0.146	2	110.2895	0.146	2	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP2_SP3	C[6]	C[5,6]	N	4:4:4:3:	4:4:2:1:	4:4:1:	C[5,6]-4:C[6]-4:C-4:N-3:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCHH)(NHS)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(H)	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCHH)(NHS){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	108.5790	0.000	1	108.5790	0.000	1	108.5790	0.000	1	108.5790	0.000	1	110.4257	3.388	34	110.3851	4.899	42
466	474	956	0:SP3_SP3_SP3	C[6,6]	C[5,6]	N	4:4:4:3:	4:4:2:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	C[5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H)	N(C[6,6]C[5,6]C[6,6]C[6])(COO)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]N)(O[5]C[5])(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	N(C[6,6]C[5,6]C[6,6]C[6])(COO)(H)	108.3360	0.000	1	108.3360	0.000	1	108.3360	0.000	1	108.3360	0.000	1	108.3360	0.000	1	109.7514	4.762	19
466	474	956	0:SP3_SP3_SP3	C[6]	C[5,6]	N	3:4:3:1:	4:4:4:1:	4:4:1:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H)	N(C[6]C[6,6a]C[5,6]H)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HN)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	N(C[6]C[6,6a]C[5,6]H)(CC[6a]HH)(H)	111.8577	1.618	4	111.8577	2.617	4	111.8577	2.617	4	111.8577	2.617	4	109.8300	4.918	18	109.7514	4.762	19
466	474	956	0:SP3_SP3_SP3	C[6]	C[5,6]	N	4:2:3:1:	4:3:4:4:	4:4:1:	C[5,6]-4:O[6]-2:N-3:H-1:	C[5]-4:C[6]-3:C[5]-4: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)	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN)	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>}	C[5,6](C[5]C[6a]C[5]O)(C[6]C[6,6a]O)(C[5]N[5]CH)(C[6]O[6]HN){1|O<1>,5|C<3>}	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(H)	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	109.8300	4.918	18	109.7514	4.762	19
466	474	956	0:SP3_SP3_SP3	C[6]	C[5,6]	N	4:2:3:1:	4:4:2:1:	4:4:2:	C[5,6]-4:O[6]-2:N-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-4:O-2:	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H)	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>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HN)(O[5]C[5])(H){1|H<1>,1|N<3>,3|C<4>}	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(OH)	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	109.8300	4.918	18	109.7514	4.762	19
466	474	956	0:SP3_SP3_SP3	C[6]	C[5,6]	N	4:3:3:1:	3:3:4:4:	4:3:1:	C[5,6]-4:C[6,6a]-3:N-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[6]-4:S-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(NHS)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]HN)(CCHH)	N(C[6]C[6,6a]C[5,6]H)(SCO)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(NHS)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]HN)(CCHH){1|C<4>,1|H<1>,4|C<3>}	N(C[6]C[6,6a]C[5,6]H)(SCO)(H)	111.8360	0.297	2	111.8360	0.088	2	111.8360	0.088	2	111.8360	0.088	2	109.8300	4.918	18	109.7514	4.762	19
466	474	956	0:SP3_SP3_SP3	C[6]	C[5,6]	N	4:4:3:1:	3:3:3:4:	4:2:1:	C[5,6]-4:C[6]-4:N-3:H-1:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:H-1:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(NHO)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HN)	N(C[6]C[5,6]C[6]H)(OC)(H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(NHO)(H){2|H<1>,6|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HN){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N(C[6]C[5,6]C[6]H)(OC)(H)	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	109.8300	4.918	18	109.7514	4.762	19
466	474	956	0:SP3_SP3_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HN)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	110.7255	0.145	2	110.7255	0.021	2	110.7255	0.021	2	109.3528	2.552	4	109.8300	4.918	18	109.7514	4.762	19
466	474	956	0:SP3_SP3_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:S[5]-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(S[5]S[5])(H)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,1|O<2>,1|S<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(S[5]S[5])(H){1|C<4>,3|H<1>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	109.3528	2.552	4	109.8300	4.918	18	109.7514	4.762	19
466	474	956	0:SP3_SP3_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(NHS)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(H)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(H){1|C<4>,3|H<1>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	107.7610	0.000	1	107.7610	0.000	1	107.7610	0.000	1	109.3528	2.552	4	109.8300	4.918	18	109.7514	4.762	19
466	474	956	0:SP3_SP3_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:2:4:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	108.5310	0.000	1	108.2250	0.106	4	108.2250	0.106	4	108.2250	0.106	4	109.8300	4.918	18	109.7514	4.762	19
466	474	956	0:SP3_SP3_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:2:4:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){2|C<4>,2|H<1>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	108.0720	0.000	1	108.2250	0.106	4	108.2250	0.106	4	108.2250	0.106	4	109.8300	4.918	18	109.7514	4.762	19
466	474	956	0:SP3_SP3_SP3	C[6]	C[5,6]	N	4:4:3:1:	4:4:2:4:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	108.1485	0.436	2	108.2250	0.106	4	108.2250	0.106	4	108.2250	0.106	4	109.8300	4.918	18	109.7514	4.762	19
466	474	956	0:SP3_SP3_SP3	C[6]	C[5,6]	N	4:4:4:3:	4:4:2:4:	4:4:1:	C[5,6]-4:C[6]-4:C-4:N-3:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(CH3)(NHS)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(CH3)	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(CH3)(NHS){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	104.7690	0.000	1	104.7690	0.000	1	104.7690	0.000	1	104.7690	0.000	1	109.8300	4.918	18	109.7514	4.762	19
466	474	961	6:SP3_SP3_SP3	C[6]	C[5,6]	S[6]	4:4:1:1:	3:4:4:1:	4:4:1:1:	C[5,6]-4:S[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[5,6]OO)(H)2	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]S[6]HH)(H)	S[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(O)2	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[5,6]OO)(H)2{1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]S[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	S[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(O)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	109.6080	0.304	2	109.6080	0.092	2	109.6080	0.092	2	109.6080	0.092	2	109.3976	15.183	9	109.3976	15.183	9
466	474	961	6:SP3_SP3_SP3	C[6]	C[5,6]	S[6]	4:4:1:1:	4:4:2:4:	4:3:1:1:	C[5,6]-4:S[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:N[6]-3:O-1:O-1:	C[6](C[5,6]C[5,6]O[5]C)(S[6]N[6]OO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	S[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(O)2	C[6](C[5,6]C[5,6]O[5]C)(S[6]N[6]OO)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){2|H<1>,2|N<3>,2|O<1>}	S[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(O)2{1|H<1>,1|O<2>,3|C<4>}	111.2980	0.000	1	111.2980	0.000	1	111.2980	0.000	1	111.2980	0.000	1	109.3976	15.183	9	109.3976	15.183	9
466	474	961	6:SP3_SP3_SP3	C[6]	C[5,6]	S[6]	4:4:1:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:S[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5]C[6]N[5])(S[6]C[6]OO)(H)2	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]S[6]HH)(N[5]C[5]HH)	S[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)2	C[6](C[5,6]C[5]C[6]N[5])(S[6]C[6]OO)(H)2{3|C<4>,8|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]S[6]HH)(N[5]C[5]HH){1|C<4>,2|O<1>,6|H<1>}	S[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)2{1|N<4>,2|C<4>,2|H<1>}	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	109.3976	15.183	9	109.3976	15.183	9
466	474	961	6:SP3_SP3_SP3	C[6]	C[5,6]	S[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:S[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(CH3)(H)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(H)	S[6](C[6]C[5,6]CH)2(O)2	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(CH3)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(H){2|C<4>,2|H<1>,2|O<1>}	S[6](C[6]C[5,6]CH)2(O)2{1|H<1>,4|C<4>}	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	109.3976	15.183	9	109.3976	15.183	9
466	474	961	6:SP3_SP3_SP3	C[6]	C[5,6]	S[6]	4:4:4:1:	4:4:4:4:	4:4:1:1:	C[5,6]-4:S[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6]OO)(CH3)(H)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(CH3)	S[6](C[6]C[5,6]CH)2(O)2	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6]OO)(CH3)(H){3|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(CH3){1|C<4>,2|O<1>,3|H<1>}	S[6](C[6]C[5,6]CH)2(O)2{1|H<1>,4|C<4>}	114.0720	0.000	1	114.0720	0.000	1	114.0720	0.000	1	114.0720	0.000	1	109.3976	15.183	9	109.3976	15.183	9
466	474	961	6:SP3_SP3_SP3	C[6]	C[5,6]	S[6]	4:4:4:3:	3:4:4:1:	4:4:1:1:	C[5,6]-4:S[6]-4:C-4:C-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]N[5,6]C[5]H)(S[6]C[6]OO)(CC[6a]HH)(COO)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H)	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2	C[6](C[5,6]N[5,6]C[5]H)(S[6]C[6]OO)(CC[6a]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	104.7570	0.369	3	104.7570	0.136	3	104.7570	0.136	3	104.7570	0.136	3	109.3976	15.183	9	109.3976	15.183	9
466	474	983	0:SP3_SP1_SP3	C[6,6]	C[5,5,6,6]	C	4:4:2:2:	4:4:3:4:	4:2:	C[5,5,6,6]-4:C[3x6]-4:C-2:O-2:	C[5,3x6]-4:C[6,6]-4:N[5,5]-3:C[5]-4:	C[6,6]-4:C-2:	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(N[5,5]C[5]S[5])(C[5]C[5]HH)	C(C[6,6]C[5,5,6,6]C[3x6]O)(CH)	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(N[5,5]C[5]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<1>,7|H<1>}	C(C[6,6]C[5,5,6,6]C[3x6]O)(CH)	111.7870	0.000	1	111.7870	0.000	1	111.7870	0.000	1	111.7870	0.000	1	111.7870	0.000	1	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6,6]	C[5,6,6]	C	4:4:2:2:	3:4:4:3:	4:1:	C[5,6,6]-4:C[3x6]-4:C-2:C-2:	C[5,6a]-3:C[3x6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:N-1:	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(CN)2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[5]N[5]O)	C(C[6,6]C[5,6,6]C[3x6]C)(N)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5])(C[3x6]C[6,6]2H)(CN)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[5,6,6]C[3x6]C)(N)	113.0280	0.297	2	113.0280	0.088	2	113.0280	0.088	2	113.0280	0.088	2	112.3558	0.633	4	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6,6]	C[5,6,6]	C	4:4:3:2:	4:4:4:1:	4:2:	C[5,6,6]-4:C[6]-4:C[6]-3:C-2:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[6,6]-4:C-2:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(C[6]O[6]O)(CC)	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H)	C(C[6,6]C[5,6,6]C[6]2)(CSi)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(C[6]O[6]O)(CC){1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[6,6]C[6]2C)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|O<2>,7|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(CSi)	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	112.3558	0.633	4	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6,6]	C[5,6,6]	C	4:4:4:2:	4:4:4:2:	4:1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-2:	C[5,6]-4:C[6,6]-4:C[6]-4:O[5]-2:	C[6,6]-4:N-1:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CN)	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5])	C(C[6,6]C[5,6,6]C[6]2)(N)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]HH)2(CN){2|O<2>,4|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,6]HO)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(N)	111.7140	0.000	1	111.7140	0.000	1	111.7140	0.000	1	111.7140	0.000	1	112.3558	0.633	4	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6,6]	C[5,6]	C	4:4:3:2:	3:4:4:3:	4:1:	C[5,6]-4:C[6,6]-4:C[6]-3:C-2:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:N-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(C[6]N[6]O)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[5]N[5]O)	C(C[6,6]C[5,6]C[6,6]C[6])(N)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2H)(C[6]N[6]O)(CN){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(N)	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	3:4:2:1:	4:4:4:1:	4:1:	C[6,6a]-3:C[5,6]-4:C-2:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C(C[6]C[6,6a]C[5,6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]C[5,6]H)(N)	112.0690	0.000	1	112.0690	0.000	1	112.0690	0.000	1	112.0690	0.000	1	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	3:4:2:2:	4:4:3:4:	4:2:	C[6,6a]-3:C[5,6]-4:C-2:O-2:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:C-2:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3)	C(C[6]C[6,6a]C[5,6]O)(CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]O)(CH)	109.3605	0.469	2	109.3605	0.220	2	109.3605	0.220	2	109.3605	0.220	2	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:2:2:1:	3:4:4:3:	4:2:	C[5,6]-4:O[6]-2:C-2:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:C-2:	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]O[6]CH)(C[5]N[5]O)	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>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[6]O[6]CH)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C(C[6]C[5,6]O[6]H)(CC[6a])	112.3090	0.000	1	112.3090	0.000	1	112.3090	0.000	1	112.3090	0.000	1	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:2:4:2:	4:4:2:1:	4:1:	C[5,6]-4:O[6]-2:C-4:C-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN)	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H)	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>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]O[6]CC)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]O[6]C)(N)	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:3:2:1:	4:4:2:1:	4:1:	C[5,6]-4:N[6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H)	C(C[6]C[5,6]N[6]H)(N)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(H){1|H<1>,1|O<2>,4|C<4>}	C(C[6]C[5,6]N[6]H)(N)	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:3:2:1:	4:4:2:4:	4:1:	C[5,6]-4:N[6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3)	C(C[6]C[5,6]N[6]H)(N)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3){1|H<1>,1|O<2>,4|C<4>}	C(C[6]C[5,6]N[6]H)(N)	108.8870	0.000	1	108.8870	0.000	1	108.8870	0.000	1	108.8870	0.000	1	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:3:2:1:	4:4:3:1:	4:2:	C[5,6]-4:C[6,6]-3:C-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:C-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H)	C(C[6]C[5,6]C[6,6]H)(CC[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]CH)(C[5]N[5]O)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6,6]H)(CC[6a])	111.0615	1.167	2	111.0615	1.363	2	111.0615	1.363	2	111.0615	1.363	2	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:3:2:2:	3:3:4:3:	4:1:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[5,6]C[6]C)(N)	110.5770	1.839	4	110.5770	3.384	4	110.5770	3.384	4	110.5770	3.384	4	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:3:2:2:	3:4:4:3:	4:1:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6a]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5]H)(C[6]C[6]CC)(C[5]N[5]O)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(CN)2{1|H<1>,1|O<1>,3|C<3>,3|N<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5]H)(C[6]C[6]CC)(C[5]N[5]O){1|H<1>,2|C<4>,6|C<3>}	C(C[6]C[5,6]C[6]C)(N)	109.3510	4.832	2	109.3510	23.352	2	109.3510	23.352	2	108.8625	8.356	6	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:3:2:2:	3:4:4:3:	4:1:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6a]-3:C[6,6]-4:C[6]-4:C[5]-3:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[5]N[5]O)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(CN)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C(C[6]C[5,6]C[6]C)(N)	109.7890	3.490	2	109.7890	12.182	2	109.7890	12.182	2	108.8625	8.356	6	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:3:2:2:	3:4:4:3:	4:1:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(CN)2{1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6]C)(N)	107.4475	0.220	2	107.4475	0.048	2	107.4475	0.048	2	108.8625	8.356	6	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:3:2:2:	4:4:4:4:	4:1:	C[5,6]-4:C[6]-3:C-2:C-2:	C[5,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]N)(CN)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)2(C[6]C[6]CC)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]N)(CN)2{1|C<2>,1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)2(C[6]C[6]CC){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C(C[6]C[5,6]C[6]C)(N)	109.3320	1.229	2	109.3320	1.510	2	109.3320	1.510	2	109.3320	1.510	2	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:1:	3:4:4:4:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(CN)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(CH3)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(CN)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(CH3){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]H)(N)	109.7370	0.000	1	109.7370	0.000	1	109.7370	0.000	1	109.7370	0.000	1	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:1:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(CN)(H)	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(CN)(H){2|H<1>,2|S<2>,3|C<4>}	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){3|C<4>,8|H<1>}	C(C[6]C[5,6]C[6]H)(N)	114.3690	0.000	1	114.3690	0.000	1	114.3690	0.000	1	111.7755	13.452	2	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:1:	4:3:4:1:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CN)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]H)(N)	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	111.7755	13.452	2	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:1:	4:4:2:1:	4:2:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6]-4:C-2:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H)	C(C[6]C[5,6]C[6]H)(CC)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CC)	111.3757	0.878	3	111.3757	0.771	3	111.3757	0.771	3	111.3757	0.771	3	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:1:	4:4:3:1:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]O)(H){1|C<4>,8|H<1>}	C(C[6]C[5,6]C[6]H)(N)	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:1:	4:4:3:1:	4:2:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C-2:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CC)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(N[5]C[5]O)(H)	C(C[6]C[5,6]C[6]H)(CC)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(N[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C(C[6]C[5,6]C[6]H)(CC)	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H){2|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(C[6]C[6]CH)(H){1|C<3>,3|H<1>,5|C<4>}	C(C[6]C[5,6]C[6]H)(N)	110.3490	0.000	1	110.3490	0.000	1	110.7417	0.129	3	110.7417	0.129	3	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:1:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|N<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]CH)(H){1|C<4>,1|S<4>,6|H<1>}	C(C[6]C[5,6]C[6]H)(N)	110.9380	0.165	2	110.9380	0.027	2	110.7417	0.129	3	110.7417	0.129	3	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:1:	4:4:4:3:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	C[6]-4:N-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CN)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CN)(H){4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	C(C[6]C[5,6]C[6]H)(N)	111.6610	0.000	1	111.6610	0.000	1	111.6610	0.000	1	111.6610	0.000	1	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:2:	3:3:4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:C-2:	C[5,5a]-3:C[5,6]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]CO)(H)	C(C[6]C[5,6]C[6]O)(N)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(CN){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6])(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]O)(N)	106.5320	0.000	1	106.5320	0.000	1	106.5320	0.000	1	106.5320	0.000	1	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:2:	3:3:4:3:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6a]C[6]H)(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6a]C[6]H)(CN)2{1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]C)(N)	109.1670	0.632	2	109.1670	0.400	2	109.1670	0.400	2	109.1670	0.400	2	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:2:	3:4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:C-2:C-2:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5]H)(CN)2	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H)	C(C[6]C[5,6]2C)(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5]H)(CN)2{1|C<4>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H){6|C<3>}	C(C[6]C[5,6]2C)(N)	108.7440	0.690	2	108.7440	0.476	2	108.7440	0.476	2	108.7440	0.476	2	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:2:	3:4:3:3:	4:1:	C[5,6]-4:C[5,6]-4:C-2:C-2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5]H)(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]2C)(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5]H)(CN)2{1|C<4>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C(C[6]C[5,6]2C)(N)	110.0390	1.339	2	110.0390	1.794	2	110.0390	1.794	2	110.1680	1.185	6	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:2:	3:4:3:3:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2{1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6]C)(N)	110.0885	0.647	2	110.2325	1.360	4	110.2325	1.360	4	110.1680	1.185	6	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:2:	3:4:3:3:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(CN)2{1|N<3>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]C)(N)	110.3765	1.892	2	110.2325	1.360	4	110.2325	1.360	4	110.1680	1.185	6	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:2:	3:4:4:3:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]C[6a]H)(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CC)(C[5]N[5]O)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]C[6a]H)(CN)2{1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]CH)(C[6]C[6]CC)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6]C)(N)	109.6882	0.652	4	109.6882	0.426	4	109.4350	0.668	6	109.4350	0.668	6	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:2:	3:4:4:3:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6a]-3:C[6]-4:C[6]-4:C[5]-3:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CN)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CN)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[5,6]C[6]C)(N)	108.9285	1.136	2	108.9285	1.291	2	109.4350	0.668	6	109.4350	0.668	6	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:2:	3:4:4:4:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6]-4:N-1:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]CH)(CN)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CC)(CHHO)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]CH)(CN)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CC)(CHHO){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[5,6]C[6]C)(N)	110.0871	1.713	8	110.0871	2.936	8	110.0871	2.936	8	110.0871	2.936	8	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:2:	4:4:3:2:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6]-4:C[6]-4:C[5]-3:C-2:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CH)(CN)2	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]N)(CN)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CH)(CN)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]CC)(C[5]O[5]N)(CN){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]C)(N)	109.9875	0.416	2	109.9875	0.173	2	109.9875	0.173	2	109.9875	0.173	2	110.0407	2.821	62	110.1762	2.992	68
466	474	983	0:SP3_SP1_SP3	C[6]	C[5,6]	C	4:4:2:2:	4:4:4:1:	4:1:	C[5,6]-4:C[6]-4:C-2:C-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C(C[6]C[5,6]C[6]C)(N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	C(C[6]C[5,6]C[6]C)(N)	109.7600	1.812	2	109.7600	3.282	2	109.7600	3.282	2	109.7600	3.282	2	110.0407	2.821	62	110.1762	2.992	68
466	474	992	0:SP3_SP3_SP3	C[6]	C[5,6]	P	4:4:4:1:	3:4:2:2:	4:3:3:1:	C[5,6]-4:C[6]-4:P-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:O-1:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(PC[6a]2O)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC)	P(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(PC[6a]2O)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HP)(O[5]C[5])(OC){1|C<3>,5|H<1>}	P(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O)	113.3040	0.000	1	113.3040	0.000	1	113.3040	0.000	1	113.3040	0.000	1	111.8013	0.804	6	111.8013	0.804	6
466	474	992	0:SP3_SP3_SP3	C[6]	C[5,6]	P	4:4:4:1:	3:4:4:1:	4:3:3:1:	C[5,6]-4:C[6]-4:P-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:S-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(PC[6a]2S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H)	P(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)2(S)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(PC[6a]2S)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HP)(H){1|C<4>,3|C<3>,5|H<1>}	P(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)2(S)	111.3177	0.682	3	111.3177	0.465	3	111.3177	0.465	3	111.3177	0.465	3	111.8013	0.804	6	111.8013	0.804	6
466	474	992	0:SP3_SP3_SP3	C[6]	C[5,6]	P	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[6]-4:P-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CP)(H)	P(C[6]C[5,6]C[6]C)2(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]CP)(H){3|C<4>,3|H<1>}	P(C[6]C[5,6]C[6]C)2(H)2	111.7755	0.357	2	111.7755	0.128	2	111.7755	0.128	2	111.7755	0.128	2	111.8013	0.804	6	111.8013	0.804	6
466	478	478	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C[4,6,6]	4:4:3:1:	4:4:4:3:	4:4:4:3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[6,6]-4:C-3:	C[4,6,6]-4:C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO)	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO)	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO){1|H<1>,3|C<4>,5|C<3>}	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO){1|H<1>,3|C<4>,5|C<3>}	106.8170	0.034	2	107.0042	0.071	4	107.5470	1.526	5	107.5470	1.526	5	107.5470	1.526	5	107.5470	1.526	5
466	478	478	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C[4,6,6]	4:4:3:1:	4:4:4:3:	4:4:4:3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[6,6]-4:C-3:	C[4,6,6]-4:C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO)	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO)	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO){2|H<1>,3|C<4>,4|C<3>}	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO){2|H<1>,3|C<4>,4|C<3>}	107.1915	0.267	2	107.0042	0.071	4	107.5470	1.526	5	107.5470	1.526	5	107.5470	1.526	5	107.5470	1.526	5
466	478	478	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C[4,6,6]	4:4:3:1:	4:4:4:3:	4:4:4:3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[6,6]-4:C-3:	C[4,6,6]-4:C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[4,6,6](C[4,6,6]C[4,6,6]O[6,6]C)2(C[6,6]C[4,6,6]C[6a]H)(COO)	C[4,6,6](C[4,6,6]C[4,6,6]O[6,6]C)2(C[6,6]C[4,6,6]C[6a]H)(COO)	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<2>,6|C<4>}	C[4,6,6](C[4,6,6]C[4,6,6]O[6,6]C)2(C[6,6]C[4,6,6]C[6a]H)(COO){3|C<4>,4|C<3>}	C[4,6,6](C[4,6,6]C[4,6,6]O[6,6]C)2(C[6,6]C[4,6,6]C[6a]H)(COO){3|C<4>,4|C<3>}	109.7180	0.000	1	109.7180	0.000	1	107.5470	1.526	5	107.5470	1.526	5	107.5470	1.526	5	107.5470	1.526	5
466	478	486	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C[3,6,6]	4:4:1:1:	4:4:4:1:	4:3:4:1:	C[3,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3,3x6]-4:N[3,6]-3:C[6,6]-4:H-1:	C[6,6](C[3,6,6]C[3,3x6]N[3,6]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3,6,6]HH)(H)	C[3,6,6](C[3,3x6]C[4,6,6]N[3,6]C[6])(N[3,6]C[3,3x6]C[6])(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[3,6,6]C[3,3x6]N[3,6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3,6,6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	C[3,6,6](C[3,3x6]C[4,6,6]N[3,6]C[6])(N[3,6]C[3,3x6]C[6])(C[6,6]C[4,6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	111.2650	0.000	1	111.2650	0.000	1	111.2650	0.000	1	111.2650	0.000	1	112.0247	0.229	6	112.0247	0.229	6
466	478	486	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C[3,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3,6,6]HH)(H)	C[3,6,6](C[3,6,6]C[4,6,6]C[3]C)(C[3]C[3,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3,6,6]HH)(H){2|C<4>,2|H<1>}	C[3,6,6](C[3,6,6]C[4,6,6]C[3]C)(C[3]C[3,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	112.2840	0.000	1	112.2840	0.000	1	112.2840	0.000	1	112.1766	0.113	5	112.0247	0.229	6	112.0247	0.229	6
466	478	486	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C[3,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3,6,6]HH)(H)	C[3,6,6](C[3,6,6]C[4,6,6]C[3]C)(C[6,6]C[4,6,6]HH)(C[3]C[3,6,6]CH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3,6,6]HH)(H){2|C<4>,2|H<1>}	C[3,6,6](C[3,6,6]C[4,6,6]C[3]C)(C[6,6]C[4,6,6]HH)(C[3]C[3,6,6]CH)(H){2|C<4>,2|H<1>}	112.1497	0.382	4	112.1497	0.146	4	112.1497	0.146	4	112.1766	0.113	5	112.0247	0.229	6	112.0247	0.229	6
466	478	490	0:SP3_SP3_SP3	C[3x6]	C[4,6,6]	C	4:3:2:4:	4:4:4:1:	4:1:1:1:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	115.2040	0.000	1	114.9298	0.501	5	114.9298	0.501	5	114.9298	0.501	5	114.0069	2.092	10	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[3x6]	C[4,6,6]	C	4:3:2:4:	4:4:4:1:	4:1:1:1:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|O<1>,4|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	114.8612	0.798	4	114.9298	0.501	5	114.9298	0.501	5	114.9298	0.501	5	114.0069	2.092	10	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[3x6]	C[4,6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[4,6,6]-4:O[6]-2:C-4:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]C[6]H)(C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(CH3)	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	C[3x6](C[3x6]C[6,6]C[6]H)(C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(CH3){2|C<3>,3|C<4>,6|H<1>}	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[3x6]C[4,6,6]C[3x6]O[6])(H)3	112.5560	0.301	2	112.5560	0.091	2	112.5560	0.091	2	112.3260	0.204	3	114.0069	2.092	10	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[3x6]	C[4,6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[4,6,6]-4:S[6]-2:C-4:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]S[6]H)(C[4,6,6]C[4,6]2H)(S[6]C[5,6])(CH3)	C[4,6,6](C[3x6]C[3x6]S[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C(C[3x6]C[4,6,6]C[3x6]S[6])(H)3	C[3x6](C[3x6]C[6,6]S[6]H)(C[4,6,6]C[4,6]2H)(S[6]C[5,6])(CH3){1|C<3>,1|S<2>,3|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[3x6]S[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C(C[3x6]C[4,6,6]C[3x6]S[6])(H)3	111.8660	0.000	1	111.8660	0.000	1	111.8660	0.000	1	112.3260	0.204	3	114.0069	2.092	10	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[3x6]	C[4,6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3x6]-4:C[4,6,6]-4:C[6]-4:C-4:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:H-1:H-1:H-1:	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3)	C[4,6,6](C[3x6]C[3x6]C[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C(C[3x6]C[4,6,6]C[3x6]C[6])(H)3	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]O[6]CH)(CH3){4|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[3x6]C[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){2|C<4>,2|O<2>,3|H<1>}	C(C[3x6]C[4,6,6]C[3x6]C[6])(H)3	114.2210	1.895	2	114.2210	3.591	2	114.2210	3.591	2	114.2210	3.591	2	114.0069	2.092	10	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H)	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C(C[6,6]C[6,6,6a]C[4,6,6]H)(H)3	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6,6]C[6,6,6a]C[4,6,6]H)(H)3	112.3940	0.000	1	112.3940	0.000	1	112.3940	0.000	1	112.3940	0.000	1	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	3:4:4:1:	4:4:4:1:	4:3:1:1:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H)	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C(C[6,6]C[6,6,6a]C[4,6,6]H)(C[6a]C[6a]2)(H)2	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6,6]C[6,6,6a]C[4,6,6]H)(C[6a]C[6a]2)(H)2	112.8175	0.040	2	112.8175	0.002	2	112.8175	0.002	2	112.8175	0.002	2	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	3:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H)	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C(C[6,6]C[6,6,6a]C[4,6,6]H)(CH3)2(H)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6,6]C[6,6,6a]C[4,6,6]H)(CH3)2(H)	113.2680	0.000	1	113.2680	0.000	1	113.2680	0.000	1	113.2680	0.000	1	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[4,6,6]-4:O[6]-2:C[6]-4:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[4,6,6](C[4,6]C[6,6a]C[4]H)(C[4,6]C[4]C[6]C)(C[6,6]C[6]O[6]C)(H)	C(C[6,6]C[4,6,6]C[6]O[6])(H)3	C[6,6](C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,3|H<1>}	C[4,6,6](C[4,6]C[6,6a]C[4]H)(C[4,6]C[4]C[6]C)(C[6,6]C[6]O[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6,6]C[4,6,6]C[6]O[6])(H)3	111.5450	0.801	3	111.5450	0.642	3	111.5450	0.642	3	111.5450	0.642	3	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:2:4:	4:4:3:1:	4:4:4:1:	C[4,6,6]-4:C[6]-3:O[6]-2:C-4:	C[4,6]-4:C[6,6]-4:C[4,6]-3:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]C)(O[6]C[6])(CCCH)	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6]O[6]C)(C[4,6]C[4]C[6])(H)	C(C[6,6]C[4,6,6]C[6]O[6])(CH3)2(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]C)(O[6]C[6])(CCCH){1|C<4>,2|C<3>,4|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6]O[6]C)(C[4,6]C[4]C[6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[4,6,6]C[6]O[6])(CH3)2(H)	113.9070	0.000	1	113.9070	0.000	1	113.9070	0.000	1	113.9070	0.000	1	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:3:4:	4:4:3:1:	4:1:1:1:	C[4,6,6]-4:C[6]-3:N[6]-3:C-4:	C[4,6]-4:C[6,6]-4:C[4,6]-3:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]H)(N[6]C[6]S)(CH3)	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6]N[6]C)(C[4,6]C[4]C[6])(H)	C(C[6,6]C[4,6,6]C[6]N[6])(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6]N[6]C)(C[4,6]C[4]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6]N[6])(H)3	108.9420	0.000	1	108.9420	0.000	1	108.9420	0.000	1	108.9420	0.000	1	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	C[4,6,6]-4:C[3x6]-3:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]CH)(H)	C(C[6,6]C[4,6,6]C[3x6]H)(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(CH3)(H){1|Re<6>,2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]CH)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6,6]C[4,6,6]C[3x6]H)(H)3	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N-3:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHHN)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(NPdC)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHHN)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(NPdC)(H)2	115.0760	0.000	1	115.0760	0.000	1	115.0760	0.000	1	115.0760	0.000	1	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:1:	4:4:4:1:	4:3:3:3:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6a]-3:N-3:C-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H){2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<3>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	114.4575	0.933	2	114.4575	0.870	2	114.4575	0.870	2	114.4575	0.870	2	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-3:C-4:O-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(CH3)(OH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(CH3)(OH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,1|H<1>,1|N<2>}	C(C[6,6]C[4,6,6]C[6,6]O)(H)3	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:3:4:2:	4:4:4:1:	4:3:1:1:	C[4,6,6]-4:C[6,6]-3:C-4:O-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(CCHH)(OO)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]O)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(CCHH)(OO){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]O)(H)2	114.2780	0.000	1	114.2780	0.000	1	114.2780	0.000	1	114.2780	0.000	1	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|B<3>,1|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	112.8290	0.082	2	110.5593	15.458	3	113.1702	3.050	22	112.7748	3.322	28	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|B<4>,1|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	106.0200	0.000	1	110.5593	15.458	3	113.1702	3.050	22	112.7748	3.322	28	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|N<2>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	114.2290	0.000	1	113.5664	0.551	18	113.1702	3.050	22	112.7748	3.322	28	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	113.6528	0.623	15	113.5664	0.551	18	113.1702	3.050	22	112.7748	3.322	28	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|N<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	112.5870	1.208	2	113.5664	0.551	18	113.1702	3.050	22	112.7748	3.322	28	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CH3)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	113.8710	0.000	1	113.8710	0.000	1	113.1702	3.050	22	112.7748	3.322	28	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|F<1>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|B<4>,1|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	113.0935	0.006	2	113.0935	0.000	2	111.3250	1.922	6	112.7748	3.322	28	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|B<4>,4|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|N<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(H)3	110.4408	0.274	4	110.4408	0.075	4	111.3250	1.922	6	112.7748	3.322	28	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N-3:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(NCH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(NCH)(H)2	114.6550	0.334	2	114.6550	0.111	2	114.8286	3.936	7	114.8286	3.936	7	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N-3:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(NPdC)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(NPdC)(H)2	114.8980	2.420	5	114.8980	5.855	5	114.8286	3.936	7	114.8286	3.936	7	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:S-4:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHS)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C(C[6,6]C[4,6,6]C[6,6]H)(SCOO)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHS)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>}	C(C[6,6]C[4,6,6]C[6,6]H)(SCOO)(H)2	109.7440	0.858	2	109.7440	0.737	2	109.7440	0.737	2	109.7440	0.737	2	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:N-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NC)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CN)(H)	C(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NC){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CN)(H){1|C<4>,3|H<1>}	C(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	109.7970	0.000	1	109.7970	0.000	1	109.7970	0.000	1	109.7970	0.000	1	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[4,6,6]-4:C[6,6]-4:C-4:N-3:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CN)(H)	C(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CN)(H){1|C<4>,3|H<1>}	C(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	109.1970	0.000	1	109.1970	0.000	1	109.1970	0.000	1	109.1970	0.000	1	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[4,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,4,6]-4:C[4]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[4,6,6](C[3,4,6]C[3,4]C[3,6]H)(C[4]C[3,4]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)	C(C[6,6]C[4,6,6]C[6]2)(H)3	C[6,6](C[4,6,6]C[3,4,6]C[4]C[6])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){3|C<4>,9|H<1>}	C[4,6,6](C[3,4,6]C[3,4]C[3,6]H)(C[4]C[3,4]HH)(C[6,6]C[6]2C)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[4,6,6]C[6]2)(H)3	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	112.7427	4.282	55	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,5,6,6]	C	4:4:4:1:	4:4:3:4:	4:2:2:1:	C[4,5,6,6]-4:C[5,6]-4:C-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:O-2:O-2:H-1:	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[3,5]C[5,6]H)(CHOO)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[6]C[5,6]CH)	C(C[6]C[4,5,6,6]C[5,6]H)(OC)2(H)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[3,5]C[5,6]H)(CHOO)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[6]C[5,6]CH){1|C<2>,4|H<1>,6|C<4>}	C(C[6]C[4,5,6,6]C[5,6]H)(OC)2(H)	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[4,6]-4:O[6]-2:C-4:C-4:	C[4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(CH3)2	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6]O[6]CC)(H)	C(C[6]C[4,6]O[6]C)(H)3	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6]O[6]CC)(H){1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[4,6]O[6]C)(H)3	111.1920	1.519	2	111.1920	2.307	2	111.1920	2.307	2	111.1920	2.307	2	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	4:3:4:1:	4:4:4:2:	4:1:1:1:	C[4,6]-4:C[6]-3:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]O)(CH3)(H)	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]HH)(C[6]C[6]CH)(OH)	C(C[6]C[4,6]C[6]H)(H)3	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]O)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]HH)(C[6]C[6]CH)(OH){1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[4,6]C[6]H)(H)3	113.3700	0.000	1	113.3700	0.000	1	113.3700	0.000	1	113.3700	0.000	1	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H)	C[4,6](C[4,6]C[6,6a]C[4]H)(C[4]C[4]HH)(C[6]C[6]CH)(H)	C(C[6]C[4,6]C[6]H)(OSi)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,6]C[6,6a]C[4]H)(C[4]C[4]HH)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[4,6]C[6]H)(OSi)(H)2	113.0650	0.000	1	113.0650	0.000	1	111.6235	4.156	2	111.6235	4.156	2	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H)	C[4,6](C[4,6]C[6,6a]C[4]O)(C[4]C[4]HH)(C[6]C[6]CH)(H)	C(C[6]C[4,6]C[6]H)(OH)(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[4,6](C[4,6]C[6,6a]C[4]O)(C[4]C[4]HH)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[4,6]C[6]H)(OH)(H)2	110.1820	0.000	1	110.1820	0.000	1	111.6235	4.156	2	111.6235	4.156	2	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H)	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]CH)(H)	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	113.9430	0.000	1	113.9430	0.000	1	112.4340	4.554	2	112.4340	4.554	2	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H)	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]CH)(H)	C(C[6]C[4,6]C[6]H)(CH3)2(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]H)(CH3)2(H)	110.9250	0.000	1	110.9250	0.000	1	112.4340	4.554	2	112.4340	4.554	2	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(CH3)(H)	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[4]HS)(C[6]C[6]CH)(OH)	C(C[6]C[4,6]C[6]H)(H)3	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(CH3)(H){1|S<4>,3|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[4]HS)(C[6]C[6]CH)(OH){1|C<4>,6|H<1>}	C(C[6]C[4,6]C[6]H)(H)3	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:C[5]-4:O-2:H-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H)	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC)	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC){2|H<1>,3|C<4>}	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	111.7937	3.722	11	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC)	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	110.9230	0.945	2	111.3441	1.665	10	111.3441	1.665	10	111.7937	3.722	11	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC)	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]H)(C[6]C[6]2O)(OC)(H)	111.4494	1.396	8	111.3441	1.665	10	111.3441	1.665	10	111.7937	3.722	11	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	4:4:4:3:	4:3:4:2:	4:1:1:1:	C[4,6]-4:C[6]-4:C-4:C-3:	C[3,4,6]-4:C[4,6]-3:C[6]-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(CH3)(COO)	C[4,6](C[3,4,6]C[3,6]C[4,6]C[3])(C[4,6]C[4,6]C[6])(C[6]C[6]CC)(OH)	C(C[6]C[4,6]C[6]C)(H)3	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(CH3)(COO){1|C<3>,2|H<1>,3|C<4>}	C[4,6](C[3,4,6]C[3,6]C[4,6]C[3])(C[4,6]C[4,6]C[6])(C[6]C[6]CC)(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[4,6]C[6]C)(H)3	112.8910	0.110	2	112.8910	0.012	2	112.8910	0.012	2	112.8910	0.012	2	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C[4,6]-4:C[6]-4:C-4:C-3:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH)	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]C[6]CC)(C[4]C[4]O)(H)	C(C[6]C[4,6]C[6]C)(H)3	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]C[6]CC)(C[4]C[4]O)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[4,6]C[6]C)(H)3	107.1490	0.000	1	107.1490	0.000	1	107.1490	0.000	1	107.1490	0.000	1	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[4,6]-4:C[6]-4:C-4:C-4:	N[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(CH3)2	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HO)(C[6]C[6]CC)(H)	C(C[6]C[4,6]C[6]C)(H)3	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HO)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,4|H<1>}	C(C[6]C[4,6]C[6]C)(H)3	111.5725	2.102	2	111.5725	4.419	2	111.5725	4.419	2	111.5725	4.419	2	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4,6]-4:C[6]-4:C-4:C-4:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CH3)2	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]C)(C[6]C[6]CC)(H)	C(C[6]C[4,6]C[6]C)(H)3	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]C)(C[6]C[6]CC)(H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C(C[6]C[4,6]C[6]C)(H)3	109.1430	1.143	2	109.1430	1.306	2	109.1430	1.306	2	109.1430	1.306	2	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4,6]	C	6:4:4:4:	4:4:3:1:	4:1:1:1:	C[5x3,5x5,21x6]-6:C[4,6]-4:C-4:C-4:	C[6]-4:C[4,6]-4:C[4,6]-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2H)(CH3)2	C[4,6](C[6]C[5x3,5x5,21x6]CC)(C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]C[6])(H)	C(C[6]C[5x3,5x5,21x6]C[4,6]C)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2H)(CH3)2{1|C<4>,2|C<3>,5|B<6>,5|H<1>}	C[4,6](C[6]C[5x3,5x5,21x6]CC)(C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]C[6])(H){1|C<3>,2|C<6>,3|C<4>,4|B<6>}	C(C[6]C[5x3,5x5,21x6]C[4,6]C)(H)3	110.2375	1.647	2	110.2375	2.712	2	110.2375	2.712	2	110.2375	2.712	2	111.4311	3.707	28	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4]	C	4:2:2:4:	3:4:4:2:	4:4:1:1:	C[4]-4:O[6]-2:O[6]-2:C-4:	C[4,6a]-3:C[4]-4:C[6]-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[4]C[4,6a]C[4]O)(O[6]C[6])2(CCHH)	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]N[6]C)(C[6]O[6]2C)(OH)	C(C[6]C[4]O[6]2)(CCHH)(H)2	C[6](C[4]C[4,6a]C[4]O)(O[6]C[6])2(CCHH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]N[6]C)(C[6]O[6]2C)(OH){1|H<1>,2|C<3>,4|C<4>}	C(C[6]C[4]O[6]2)(CCHH)(H)2	115.8085	0.200	2	115.8085	0.040	2	115.8085	0.040	2	115.8085	0.040	2	113.0543	12.847	12	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4]	C	4:2:2:4:	4:4:4:2:	4:4:1:1:	C[4]-4:O[6]-2:O[6]-2:C-4:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[4]C[4,6]C[4]O)(O[6]C[6])2(CCHH)	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(C[6]O[6]2C)(OH)	C(C[6]C[4]O[6]2)(CCHH)(H)2	C[6](C[4]C[4,6]C[4]O)(O[6]C[6])2(CCHH){1|C<3>,3|C<4>,6|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(C[6]O[6]2C)(OH){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[4]O[6]2)(CCHH)(H)2	111.9310	0.000	1	111.9310	0.000	1	111.9310	0.000	1	111.9310	0.000	1	113.0543	12.847	12	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4]	C	4:4:2:4:	4:4:4:1:	4:4:1:1:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C[4]-4:C[4]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C[4](C[6]C[6]O[6]C)(C[4]C[4]CH)(C[4]C[4]HH)(H)	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[4](C[6]C[6]O[6]C)(C[4]C[4]CH)(C[4]C[4]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	115.7963	0.223	4	115.4994	0.478	5	114.5795	5.460	6	114.5795	5.460	6	113.0543	12.847	12	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4]	C	4:4:2:4:	4:4:4:1:	4:4:1:1:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C[4]-4:C[4]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C[4](C[6]C[6]O[6]C)(C[4]C[4]CH)(C[4]C[4]HH)(H)	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){2|C<3>,3|C<4>,4|H<1>}	C[4](C[6]C[6]O[6]C)(C[4]C[4]CH)(C[4]C[4]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	114.3120	0.000	1	115.4994	0.478	5	114.5795	5.460	6	114.5795	5.460	6	113.0543	12.847	12	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4]	C	4:4:2:4:	4:4:4:1:	4:4:1:1:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C[4]-4:C[4]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C[4](C[6]C[6]O[6]C)(C[4]C[4]CH)(C[4]C[4]HH)(H)	C(C[6]C[4]C[6]O[6])(CC[6]HH)(H)2	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[4](C[6]C[6]O[6]C)(C[4]C[4]CH)(C[4]C[4]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[4]C[6]O[6])(CC[6]HH)(H)2	109.9800	0.000	1	109.9800	0.000	1	114.5795	5.460	6	114.5795	5.460	6	113.0543	12.847	12	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[4]-4:C[6]-4:O[4]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)	C[4](C[4]C[4]HO)(C[6]C[6]2C)(O[4]C[4])(H)	C(C[6]C[4]C[6]2)(H)3	C[6](C[4]C[4]O[4]H)(C[6]C[6,6]CH)(C[6]C[6]HO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[4](C[4]C[4]HO)(C[6]C[6]2C)(O[4]C[4])(H){1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[4]C[6]2)(H)3	105.3580	0.000	1	105.3580	0.000	1	105.3580	0.000	1	105.3580	0.000	1	113.0543	12.847	12	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[4]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3)	C[4](C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]2C)(H)	C(C[6]C[4]C[6]2)(H)3	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[4](C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]2C)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[4]C[6]2)(H)3	108.2230	0.000	1	110.1340	7.304	2	110.1340	7.304	2	110.1340	7.304	2	113.0543	12.847	12	112.5430	5.269	106
466	478	490	0:SP3_SP3_SP3	C[6]	C[4]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4]-4:C[6]-4:C[6]-4:C-4:	C[4]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3)	C[4](C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]2C)(H)	C(C[6]C[4]C[6]2)(H)3	C[6](C[4]C[4]2H)(C[6]C[6]HH)2(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[4](C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]2C)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[4]C[6]2)(H)3	112.0450	0.000	1	110.1340	7.304	2	110.1340	7.304	2	110.1340	7.304	2	113.0543	12.847	12	112.5430	5.269	106
466	478	622	0:SP3_SP2_SP3	C[3x6]	C[4,6,6]	O[6]	4:3:2:4:	4:4:4:1:	4:3:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6,6]O)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|O<1>,4|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6,6]O){1|H<1>,1|N<2>,5|C<4>}	103.8600	0.000	1	103.8600	0.000	1	103.8142	0.074	5	103.8142	0.074	5	105.0821	4.802	15	104.2230	7.770	21
466	478	622	0:SP3_SP2_SP3	C[3x6]	C[4,6,6]	O[6]	4:3:2:4:	4:4:4:1:	4:3:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	104.0190	0.000	1	103.8028	0.098	4	103.8142	0.074	5	103.8142	0.074	5	105.0821	4.802	15	104.2230	7.770	21
466	478	622	0:SP3_SP2_SP3	C[3x6]	C[4,6,6]	O[6]	4:3:2:4:	4:4:4:1:	4:3:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|O<1>,4|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6]C[6]O){1|N<2>,2|H<1>,4|C<4>}	103.7307	0.340	3	103.8028	0.098	4	103.8142	0.074	5	103.8142	0.074	5	105.0821	4.802	15	104.2230	7.770	21
466	478	622	0:SP3_SP2_SP3	C[3x6]	C[4,6,6]	O[6]	4:3:4:2:	4:4:4:1:	4:3:	C[4,6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[3x6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[3x6])	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6])	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[3x6]){1|C<3>,4|C<4>,6|H<1>}	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]){1|O<1>,5|H<1>,6|C<4>}	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	109.9400	0.000	1	105.0821	4.802	15	104.2230	7.770	21
466	478	622	0:SP3_SP2_SP3	C[3x6]	C[4,6,6]	O[6]	4:4:2:4:	4:4:4:1:	4:3:	C[3x6]-4:C[4,6,6]-4:O[6]-2:C-4:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[6,6a]-3:	C[3x6](C[3x6]C[6,6]C[6]H)(C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(CH3)	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6,6a]C[6,6a]C[6a])	C[3x6](C[3x6]C[6,6]C[6]H)(C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(CH3){2|C<3>,3|C<4>,6|H<1>}	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[3x6]C[4,6,6]C[3x6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,2|H<1>,5|C<4>}	103.9215	0.028	2	103.9215	0.001	2	103.9215	0.001	2	103.9215	0.001	2	105.0821	4.802	15	104.2230	7.770	21
466	478	622	0:SP3_SP2_SP3	C[3x6]	C[4,6,6]	O[6]	4:4:4:2:	4:4:4:1:	4:3:	C[4,6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[5,6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[5,6]C[5,6]C[5])	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[5,6]){1|C<3>,5|C<4>,5|H<1>}	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[5,6]C[5,6]C[5]){1|C<3>,5|C<4>,7|H<1>}	105.2800	2.600	4	105.2800	6.762	4	105.2800	6.762	4	105.6254	5.089	7	105.0821	4.802	15	104.2230	7.770	21
466	478	622	0:SP3_SP2_SP3	C[3x6]	C[4,6,6]	O[6]	4:4:4:2:	4:4:4:1:	4:3:	C[4,6,6]-4:C[6,6]-4:C[6]-4:O[6]-2:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[6,6]-3:	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6])	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,5|C<4>,5|H<1>}	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	O[6](C[3x6]C[4,6,6]C[6,6]C[6])(C[6,6]C[6,6]C[6]){2|C<3>,5|H<1>,6|C<4>}	106.0860	2.137	3	106.0860	4.568	3	106.0860	4.568	3	105.6254	5.089	7	105.0821	4.802	15	104.2230	7.770	21
466	478	622	0:SP3_SP2_SP3	C[6]	C[4]	O[6]	4:4:2:4:	4:4:4:1:	3:4:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C[4]-4:C[4]-4:H-1:	C[6,6]-3:C[6]-4:	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C[4](C[6]C[6]O[6]C)(C[4]C[4]CH)(C[4]C[4]HH)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[4]C[6]C)	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){1|C<3>,4|C<4>,4|H<1>}	C[4](C[6]C[6]O[6]C)(C[4]C[4]CH)(C[4]C[4]HH)(H){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[4]C[6]C){2|C<3>,3|H<1>,5|C<4>}	101.7184	3.376	5	102.0750	9.882	6	102.0750	9.882	6	102.0750	9.882	6	102.0750	9.882	6	104.2230	7.770	21
466	478	622	0:SP3_SP2_SP3	C[6]	C[4]	O[6]	4:4:2:4:	4:4:4:1:	3:4:	C[4]-4:C[6]-4:O[6]-2:C-4:	C[6]-4:C[4]-4:C[4]-4:H-1:	C[6,6]-3:C[6]-4:	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH)	C[4](C[6]C[6]O[6]C)(C[4]C[4]CH)(C[4]C[4]HH)(H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[4]C[6]C)	C[6](C[4]C[4]2H)(C[6]C[6]HH)(O[6]C[6,6])(CCHH){2|C<3>,3|C<4>,4|H<1>}	C[4](C[6]C[6]O[6]C)(C[4]C[4]CH)(C[4]C[4]HH)(H){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[4]C[6]C){2|C<3>,3|H<1>,4|C<4>}	103.8580	0.000	1	102.0750	9.882	6	102.0750	9.882	6	102.0750	9.882	6	102.0750	9.882	6	104.2230	7.770	21
466	478	622	0:SP3_SP3_SP3	C[6]	C[4]	O[6]	4:2:2:1:	4:4:4:1:	4:4:	C[4]-4:O[6]-2:O[6]-2:H-1:	C[4]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:	C[6](C[4]C[4]2H)(O[6]C[6])2(H)	C[4](C[4]C[4]HH)2(C[6]O[6]2H)(H)	O[6](C[6]C[4]O[6]H)2	C[6](C[4]C[4]2H)(O[6]C[6])2(H){1|O<2>,3|C<4>,6|H<1>}	C[4](C[4]C[4]HH)2(C[6]O[6]2H)(H){2|C<4>,2|H<1>}	O[6](C[6]C[4]O[6]H)2{2|H<1>,5|C<4>}	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	105.0846	5.289	7	105.0846	5.289	7
466	478	622	0:SP3_SP3_SP3	C[6]	C[4]	O[6]	4:2:2:4:	3:4:4:2:	4:4:	C[4]-4:O[6]-2:O[6]-2:C-4:	C[4,6a]-3:C[4]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:	C[6](C[4]C[4,6a]C[4]O)(O[6]C[6])2(CCHH)	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]N[6]C)(C[6]O[6]2C)(OH)	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH)	C[6](C[4]C[4,6a]C[4]O)(O[6]C[6])2(CCHH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]N[6]C)(C[6]O[6]2C)(OH){1|H<1>,2|C<3>,4|C<4>}	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	103.8962	1.242	4	103.8962	1.543	4	103.8962	1.543	4	103.8962	1.543	4	105.0846	5.289	7	105.0846	5.289	7
466	478	622	0:SP3_SP3_SP3	C[6]	C[4]	O[6]	4:2:2:4:	4:4:4:2:	4:4:	C[4]-4:O[6]-2:O[6]-2:C-4:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:C[6]-4:	C[6](C[4]C[4,6]C[4]O)(O[6]C[6])2(CCHH)	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(C[6]O[6]2C)(OH)	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH)	C[6](C[4]C[4,6]C[4]O)(O[6]C[6])2(CCHH){1|C<3>,3|C<4>,6|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(C[6]O[6]2C)(OH){1|C<3>,2|H<1>,3|C<4>}	O[6](C[6]C[4]O[6]C)(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<4>}	105.6775	2.833	2	105.6775	8.028	2	105.6775	8.028	2	105.6775	8.028	2	105.0846	5.289	7	105.0846	5.289	7
466	478	622	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	O[6]	4:2:4:4:	4:4:4:1:	4:3:	C[4,6,6]-4:O[6]-2:C[6]-4:C-4:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:	C[6,6](C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[4,6,6](C[4,6]C[6,6a]C[4]H)(C[4,6]C[4]C[6]C)(C[6,6]C[6]O[6]C)(H)	O[6](C[6,6]C[4,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a])	C[6,6](C[4,6,6]C[4,6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,3|H<1>}	C[4,6,6](C[4,6]C[6,6a]C[4]H)(C[4,6]C[4]C[6]C)(C[6,6]C[6]O[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O[6](C[6,6]C[4,6,6]C[6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	111.0893	1.049	3	111.0893	1.101	3	111.0893	1.101	3	111.0893	1.101	3	112.5334	4.460	5	112.1515	3.249	8
466	478	622	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	O[6]	4:4:2:1:	4:4:4:1:	4:3:	C[4,6,6]-4:C[6]-4:O[6]-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H)	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6,6]C[6]O[6]H)(H)	O[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6,6]C[6]O[6]H)(H){1|C<3>,1|C<4>,1|I<1>,7|H<1>}	O[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]O){1|I<1>,3|C<4>,4|H<1>}	114.6995	0.015	2	114.6995	0.000	2	114.6995	0.000	2	114.6995	0.000	2	112.5334	4.460	5	112.1515	3.249	8
466	478	622	6:SP3_SP2_SP3	C[6]	C[4,6]	O[6]	4:2:1:1:	4:4:3:1:	3:4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:N[4]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(O[6]C[6,6a])(H)2	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]O[6]HH)(N[4]C[4]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)	C[6](C[4,6]C[4,6]N[4]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]O[6]HH)(N[4]C[4]C)(H){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.2000	0.380	2	112.2000	0.145	2	112.2000	0.145	2	112.2000	0.145	2	111.5150	1.480	3	112.1515	3.249	8
466	478	622	6:SP3_SP2_SP3	C[6]	C[4,6]	O[6]	4:2:4:4:	4:4:4:1:	3:4:	C[4,6]-4:O[6]-2:C-4:C-4:	C[4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(CH3)2	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6]O[6]CC)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6]O[6]CC)(H){1|O<1>,1|O<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC){2|C<3>,2|C<4>,2|H<1>}	110.1450	0.000	1	110.1450	0.000	1	110.1450	0.000	1	110.1450	0.000	1	111.5150	1.480	3	112.1515	3.249	8
466	478	622	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O[6,6]	4:2:1:1:	4:3:4:1:	4:4:	C[4,6,6]-4:O[6,6]-2:H-1:H-1:	C[4,6]-4:C[4,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]N)(C[6,6]O[6,6]HH)(H)	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH)	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]N)(C[6,6]O[6,6]HH)(H){2|C<3>,2|C<4>}	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH){1|C<3>,2|H<1>,4|C<4>}	110.4380	0.000	1	110.4380	0.000	1	111.2960	0.358	4	111.2960	0.358	4	110.7988	0.836	6	110.3154	2.533	16
466	478	622	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O[6,6]	4:2:1:1:	4:3:4:1:	4:4:	C[4,6,6]-4:O[6,6]-2:H-1:H-1:	C[4,6]-4:C[4,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]O)(C[6,6]O[6,6]HH)(H)	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH)	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]O)(C[6,6]O[6,6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	111.4380	0.000	1	111.4380	0.000	1	111.2960	0.358	4	111.2960	0.358	4	110.7988	0.836	6	110.3154	2.533	16
466	478	622	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O[6,6]	4:2:1:1:	4:3:4:1:	4:4:	C[4,6,6]-4:O[6,6]-2:H-1:H-1:	C[4,6]-4:C[4,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2	C[4,6,6](C[4,6]C[4,6,6]HO)(C[4,6]C[4,6,6]O)(C[6,6]O[6,6]HH)(H)	O[6,6](C[6,6]C[4,6,6]HH)2	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]HO)(C[4,6]C[4,6,6]O)(C[6,6]O[6,6]HH)(H){1|C<4>,1|H<1>}	O[6,6](C[6,6]C[4,6,6]HH)2{1|C<3>,1|C<4>,2|H<1>}	111.6540	0.249	2	111.6540	0.062	2	111.2960	0.358	4	111.2960	0.358	4	110.7988	0.836	6	110.3154	2.533	16
466	478	622	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O[6,6]	4:2:4:1:	4:4:3:1:	4:4:	C[4,6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[4,6]-4:C[6,6]-4:C[4,6]-3:H-1:	C[6,6]-4:C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(C[6]S[6]2H)(H)	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]O[6,6]C[6]H)(C[4,6]C[4,6,6]O)(H)	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH)	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(C[6]S[6]2H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]O[6,6]C[6]H)(C[4,6]C[4,6,6]O)(H){1|C<4>,2|C<3>,2|H<1>,2|S<2>}	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	109.5410	0.000	1	109.5410	0.000	1	109.5410	0.000	1	109.5410	0.000	1	110.7988	0.836	6	110.3154	2.533	16
466	478	622	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O[6,6]	4:2:4:1:	4:4:3:4:	4:4:	C[4,6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[4,6]-4:C[6,6]-4:C[4,6]-3:C-4:	C[6,6]-4:C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2C)(O[6,6]C[6,6])(C[6]C[6]2H)(H)	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]O[6,6]C[6]H)(C[4,6]C[4,6,6]N)(CCHH)	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH)	C[6,6](C[4,6,6]C[4,6]2C)(O[6,6]C[6,6])(C[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,7|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]O[6,6]C[6]H)(C[4,6]C[4,6,6]N)(CCHH){2|C<3>,2|H<1>,3|C<4>}	O[6,6](C[6,6]C[4,6,6]C[6]H)(C[6,6]C[4,6,6]HH){1|C<3>,2|H<1>,4|C<4>}	110.0680	0.000	1	110.0680	0.000	1	110.0680	0.000	1	110.0680	0.000	1	110.7988	0.836	6	110.3154	2.533	16
466	478	622	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O[6]	4:3:2:4:	4:4:3:1:	4:4:	C[4,6,6]-4:C[6]-3:O[6]-2:C-4:	C[4,6]-4:C[6,6]-4:C[4,6]-3:H-1:	C[6,6]-4:C[6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]C)(O[6]C[6])(CCCH)	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6]O[6]C)(C[4,6]C[4]C[6])(H)	O[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]C)(O[6]C[6])(CCCH){1|C<4>,2|C<3>,4|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6]O[6]C)(C[4,6]C[4]C[6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	106.7620	0.000	1	106.7620	0.000	1	106.7620	0.000	1	106.7620	0.000	1	106.7620	0.000	1	110.3154	2.533	16
466	478	622	6:SP3_SP3_SP3	C[6]	C[4,6]	O[6]	4:2:1:1:	3:4:4:4:	4:4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(O[6]C[6])(H)2	C[4,6](C[4,6]C[3,6]C[4])(C[4]C[4]HH)(C[6]O[6]HH)(CH3)	O[6](C[6]C[3,6]HH)(C[6]C[4,6]HH)	C[6](C[4,6]C[4,6]C[4]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,6](C[4,6]C[3,6]C[4])(C[4]C[4]HH)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>}	O[6](C[6]C[3,6]HH)(C[6]C[4,6]HH){1|C<3>,4|C<4>}	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1	110.3880	2.467	9	110.3154	2.533	16
466	478	622	6:SP3_SP3_SP3	C[6]	C[4,6]	O[6]	4:2:1:1:	4:4:3:1:	4:4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	C[4,6](C[4,6]C[6]N[4]C)(C[6]O[6]HH)(C[4]N[4]O)(H)	O[6](C[6]C[4,6]HH)(C[6]C[6]CH)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[4,6](C[4,6]C[6]N[4]C)(C[6]O[6]HH)(C[4]N[4]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](C[6]C[4,6]HH)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.7080	0.000	2	108.7080	0.000	2	108.9117	0.124	3	108.9117	0.124	3	110.3880	2.467	9	110.3154	2.533	16
466	478	622	6:SP3_SP3_SP3	C[6]	C[4,6]	O[6]	4:2:1:1:	4:4:3:1:	4:4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	C[4,6](C[4,6]C[6]N[4]C)(C[6]O[6]HH)(C[4]N[4]O)(H)	O[6](C[6]C[4,6]HH)(C[6]C[6]HH)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[4,6](C[4,6]C[6]N[4]C)(C[6]O[6]HH)(C[4]N[4]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](C[6]C[4,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.3190	0.000	1	109.3190	0.000	1	108.9117	0.124	3	108.9117	0.124	3	110.3880	2.467	9	110.3154	2.533	16
466	478	622	6:SP3_SP3_SP3	C[6]	C[4,6]	O[6]	4:2:1:1:	4:4:4:1:	4:3:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(O[6]N[6])(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]C[5]H)(C[6]O[6]HH)(H)	O[6](C[6]C[4,6]HH)(N[6]C[6]C)	C[6](C[4,6]C[4,6]C[4]H)(O[6]N[6])(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]C[5]H)(C[6]O[6]HH)(H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	O[6](C[6]C[4,6]HH)(N[6]C[6]C){2|C<4>,3|H<1>}	111.6580	0.000	1	111.6580	0.000	1	111.6580	0.000	1	111.6580	0.000	1	110.3880	2.467	9	110.3154	2.533	16
466	478	622	6:SP3_SP3_SP3	C[6]	C[4,6]	O[6]	4:2:1:1:	4:4:4:1:	4:4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]O[6]HH)(H)	O[6](C[6]C[4,6]HH)(C[6]C[6]HH)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]O[6]HH)(H){2|H<1>,3|C<4>}	O[6](C[6]C[4,6]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	113.1710	0.000	1	113.1710	0.000	1	112.4580	1.017	2	112.4580	1.017	2	110.3880	2.467	9	110.3154	2.533	16
466	478	622	6:SP3_SP3_SP3	C[6]	C[4,6]	O[6]	4:2:1:1:	4:4:4:1:	4:4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	C[4,6](C[4,6]C[4]C[6]O)(C[4]C[4]HH)(C[6]O[6]HH)(H)	O[6](C[6]C[4,6]HH)(C[6]C[6]HH)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]O)(C[4]C[4]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]C[4,6]HH)(C[6]C[6]HH){1|C<2>,1|H<1>,2|C<4>}	111.7450	0.000	1	111.7450	0.000	1	112.4580	1.017	2	112.4580	1.017	2	110.3880	2.467	9	110.3154	2.533	16
466	478	622	6:SP3_SP3_SP3	C[6]	C[4,6]	O[6]	4:2:1:1:	4:4:4:4:	4:4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4]-4:C[4]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[4,6]C[4]2C[6])(O[6]C[6])(H)2	C[4,6](C[4]Se[4]HH)2(C[6]O[6]HH)2	O[6](C[6]C[4,6]HH)(C[6]O[6]CC)	C[6](C[4,6]C[4]2C[6])(O[6]C[6])(H)2{1|Se<2>,1|O<2>,2|C<4>,6|H<1>}	C[4,6](C[4]Se[4]HH)2(C[6]O[6]HH)2{1|C<4>}	O[6](C[6]C[4,6]HH)(C[6]O[6]CC){3|C<4>}	110.5300	0.331	2	110.5300	0.110	2	110.5300	0.110	2	110.5300	0.110	2	110.3880	2.467	9	110.3154	2.533	16
466	478	643	0:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6a]	4:3:3:1:	4:4:3:4:	4:3:3:	C[4,6,6]-4:N[6,6]-3:C[6a]-3:H-1:	C[4,6]-4:C[6,6]-4:C[4,6]-3:C-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]S)(C[6a]C[6a]2)(H)	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]N[6,6]C[6a]H)(C[4,6]C[4,6,6]N)(CCHH)	C[6a](C[6,6]C[4,6,6]N[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]N[6,6]C[6a]H)(C[4,6]C[4,6,6]N)(CCHH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6,6]C[4,6,6]N[6,6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	112.3190	0.000	1	112.3190	0.000	1	112.3190	0.000	1	112.3190	0.000	1	114.9560	2.897	11	113.7102	4.779	22
466	478	643	0:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO)	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO){1|H<1>,3|C<4>,5|C<3>}	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	115.3843	1.414	4	115.2570	1.345	8	115.2197	2.368	10	115.2197	2.368	10	114.9560	2.897	11	113.7102	4.779	22
466	478	643	0:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO)	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	115.2725	1.771	2	115.2570	1.345	8	115.2197	2.368	10	115.2197	2.368	10	114.9560	2.897	11	113.7102	4.779	22
466	478	643	0:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO)	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,4|C<4>}	114.9870	0.263	2	115.2570	1.345	8	115.2197	2.368	10	115.2197	2.368	10	114.9560	2.897	11	113.7102	4.779	22
466	478	643	0:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[4,6,6](C[4,6,6]C[4,6,6]O[6,6]C)2(C[6,6]C[4,6,6]C[6a]H)(COO)	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<2>,6|C<4>}	C[4,6,6](C[4,6,6]C[4,6,6]O[6,6]C)2(C[6,6]C[4,6,6]C[6a]H)(COO){3|C<4>,4|C<3>}	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	115.0705	3.441	2	115.0705	11.844	2	115.2197	2.368	10	115.2197	2.368	10	114.9560	2.897	11	113.7102	4.779	22
466	478	643	0:SP3_SP2_SP3	C[6]	C[4,5,6]	C[6a]	4:3:3:1:	4:4:4:2:	4:3:3:	C[4,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[6]-4:C[4]-4:O[5]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[4,5,6](C[4,5,6]C[4]C[5]O[6])(C[6]C[5,6]C[6a]H)(C[4]C[4]HH)(O[5]C[5])	C[6a](C[6]C[4,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,6|H<1>}	C[4,5,6](C[4,5,6]C[4]C[5]O[6])(C[6]C[5,6]C[6a]H)(C[4]C[4]HH)(O[5]C[5]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[4,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	114.4480	0.000	1	114.4480	0.000	1	114.4480	0.000	1	114.4480	0.000	1	114.4480	0.000	1	113.7102	4.779	22
466	478	643	0:SP3_SP2_SP3	C[6]	C[4,6]	C[6a]	4:3:3:1:	3:4:4:1:	4:3:3:	C[4,6]-4:C[6a]-3:N[6]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[4,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	C[6a](C[6]C[4,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,2|H<1>,6|C<3>}	C[4,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(C[6]C[6a]N[6]H)(H){2|H<1>,6|C<3>}	C[6a](C[6]C[4,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	115.5160	0.000	1	115.5160	0.000	1	115.5160	0.000	1	115.5160	0.000	1	112.2660	3.657	10	113.7102	4.779	22
466	478	643	0:SP3_SP2_SP3	C[6]	C[4,6]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[4,6]-4:C[6a]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-4:C[4]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]N[6]C)(C[6]C[6a]C[6]H)(C[4]C[4]HH)(COO)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]N[6]C)(C[6]C[6a]C[6]H)(C[4]C[4]HH)(COO){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	114.4940	0.000	1	113.1280	3.732	2	113.1280	3.732	2	113.1280	3.732	2	112.2660	3.657	10	113.7102	4.779	22
466	478	643	0:SP3_SP2_SP3	C[6]	C[4,6]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[4,6]-4:C[6a]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-4:C[4]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]N[6]C)(C[6]C[6a]C[6]H)(C[4]C[4]HH)(COO)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]N[6]C)(C[6]C[6a]C[6]H)(C[4]C[4]HH)(COO){2|H<1>,5|C<3>}	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	111.7620	0.000	1	113.1280	3.732	2	113.1280	3.732	2	113.1280	3.732	2	112.2660	3.657	10	113.7102	4.779	22
466	478	643	0:SP3_SP2_SP3	C[6]	C[4,6]	C[6a]	4:3:4:1:	4:3:4:1:	4:3:3:	C[4,6]-4:C[6a]-3:C[6]-4:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[4,6](C[4,5,6]C[4,6a]C[5,6a]N[5,6])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,6|C<3>}	C[4,6](C[4,5,6]C[4,6a]C[5,6a]N[5,6])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|S<4>,3|H<1>,7|C<3>}	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	113.1470	0.000	1	113.1470	0.000	1	113.1470	0.000	1	113.1470	0.000	1	112.2660	3.657	10	113.7102	4.779	22
466	478	643	0:SP3_SP2_SP3	C[6]	C[4,6]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[4,6]-4:C[6a]-3:C[6]-4:H-1:	C[4]-4:C[6]-4:N[4,6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[4,6]N[4,6]C[4]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[4,6](C[4]C[6a]C[4]H)(C[6]C[6a]C[6]H)(N[4,6]C[4]O[6])(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[4,6]N[4,6]C[4]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[4,6](C[4]C[6a]C[4]H)(C[6]C[6a]C[6]H)(N[4,6]C[4]O[6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	111.3700	0.000	1	111.3700	0.000	1	111.3700	0.000	1	111.3700	0.000	1	112.2660	3.657	10	113.7102	4.779	22
466	478	643	0:SP3_SP2_SP3	C[6]	C[4,6]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[4,6](C[4,5,6]C[4,6a]N[5,6]C[5])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[4,6](C[4,5,6]C[4,6a]N[5,6]C[5])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|H<1>,3|C<4>,7|C<3>}	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	111.8167	2.038	3	111.4153	3.413	4	111.4153	3.413	4	111.4153	3.413	4	112.2660	3.657	10	113.7102	4.779	22
466	478	643	0:SP3_SP2_SP3	C[6]	C[4,6]	C[6a]	4:4:3:1:	4:3:4:1:	4:3:3:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[4,6](C[4,5,6]C[4,6a]N[5,6]C[5])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[4,6](C[4,5,6]C[4,6a]N[5,6]C[5])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|H<1>,4|C<4>,6|C<3>}	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	110.2110	0.000	1	111.4153	3.413	4	111.4153	3.413	4	111.4153	3.413	4	112.2660	3.657	10	113.7102	4.779	22
466	478	643	0:SP3_SP2_SP3	C[6]	C[4,6]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[4]-4:C[6]-4:C[4,6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[4,6](C[4]C[6a]C[4]O)(C[6]C[6a]C[6]H)(C[4,6]C[4]C[6])(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[4,6](C[4]C[6a]C[4]O)(C[6]C[6a]C[6]H)(C[4,6]C[4]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	110.7100	0.000	1	110.7100	0.000	1	110.7100	0.000	1	110.7100	0.000	1	112.2660	3.657	10	113.7102	4.779	22
466	478	643	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[6,6,6a]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[3x6]-4:H-1:	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[4,6,6](C[4,6,6]C[4,6,6]C[3x6]C)(C[4,6,6]C[4,6,6]C[3x6]H)(C[3x6]C[6,6,6a]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[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[4,6,6](C[4,6,6]C[4,6,6]C[3x6]C)(C[4,6,6]C[4,6,6]C[3x6]H)(C[3x6]C[6,6,6a]2H)(H){1|C<2>,1|C<4>,2|H<1>,6|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>}	106.9300	1.257	4	106.9300	1.580	4	106.9300	1.580	4	106.9300	1.580	4	105.7906	9.736	10	109.3838	9.223	37
466	478	643	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[6,6,6a]	3:3:4:1:	4:4:4:2:	4:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[3x6]-4:C-2:	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[4,6,6](C[4,6,6]C[4,6,6]C[3x6]C)(C[4,6,6]C[4,6,6]C[3x6]H)(C[3x6]C[6,6,6a]2H)(CN)	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[4,6,6](C[4,6,6]C[4,6,6]C[3x6]C)(C[4,6,6]C[4,6,6]C[3x6]H)(C[3x6]C[6,6,6a]2H)(CN){1|C<4>,3|H<1>,6|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>}	105.6467	4.794	4	105.6467	22.981	4	105.6467	22.981	4	105.6467	22.981	4	105.7906	9.736	10	109.3838	9.223	37
466	478	643	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[6,6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[6,6,6a]-3:C[4,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H)	C[4,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]BrH)(H)	C[6,6,6a](C[3x6]C[4,6,6]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])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]BrH)(H){1|Br<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[4,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	103.7995	0.858	2	103.7995	0.736	2	103.7995	0.736	2	103.7995	0.736	2	105.7906	9.736	10	109.3838	9.223	37
466	478	643	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6,6a]	3:4:1:1:	4:4:4:1:	3:4:2:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[6,6]C[6,6,6a]HH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]HH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|H<1>,1|N<2>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	110.7273	0.422	6	110.7273	0.178	6	110.7273	0.178	6	110.7273	0.178	6	110.2916	0.945	24	109.3838	9.223	37
466	478	643	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[6,6]C[6,6,6a]HH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[4,6,6](C[6,6]C[6,6,6a]HH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|H<1>,2|C<3>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	110.5546	1.026	12	110.5546	1.052	12	110.5546	1.052	12	110.5546	1.052	12	110.2916	0.945	24	109.3838	9.223	37
466	478	643	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6,6a]	3:4:4:1:	4:4:4:1:	3:4:2:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H)	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|H<1>,1|N<2>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	108.4120	0.000	1	108.4120	0.000	1	109.4377	0.535	4	109.4377	0.535	4	110.2916	0.945	24	109.3838	9.223	37
466	478	643	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6,6a]	3:4:4:1:	4:4:4:1:	3:4:2:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H)	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|H<1>,1|N<2>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	109.7310	0.433	2	109.7310	0.187	2	109.4377	0.535	4	109.4377	0.535	4	110.2916	0.945	24	109.3838	9.223	37
466	478	643	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6,6a]	3:4:4:1:	4:4:4:1:	3:4:2:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H)	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|H<1>,1|N<2>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	109.8770	0.000	1	109.8770	0.000	1	109.4377	0.535	4	109.4377	0.535	4	110.2916	0.945	24	109.3838	9.223	37
466	478	643	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6,6a]	4:3:4:1:	4:4:4:1:	3:4:2:	C[6,6]-4:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)	C[4,6,6](C[6,6]C[6,6,6a]C[6,6]H)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a])	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H){1|N<2>,3|C<3>,3|H<1>,5|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]C[6,6]H)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a]){2|C<3>,4|C<4>,4|H<1>}	109.1250	0.000	1	109.1145	0.000	2	109.1145	0.000	2	109.1145	0.000	2	110.2916	0.945	24	109.3838	9.223	37
466	478	643	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6,6a]	4:3:4:1:	4:4:4:1:	3:4:2:	C[6,6]-4:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)	C[4,6,6](C[6,6]C[6,6,6a]C[6,6]H)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a])	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H){1|N<2>,3|C<3>,3|H<1>,5|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]C[6,6]H)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	109.1040	0.000	1	109.1145	0.000	2	109.1145	0.000	2	109.1145	0.000	2	110.2916	0.945	24	109.3838	9.223	37
466	478	643	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6,6a]	3:4:1:1:	4:4:4:2:	3:4:3:	C[6,6a]-3:C[4,6]-4:H-1:H-1:	C[6]-4:C[4]-4:C[4]-4:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(H)2	C[4,6](C[6]C[6,6a]HH)(C[4]C[4]HH)2(N[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(H)2{1|C<4>,3|C<3>,5|H<1>}	C[4,6](C[6]C[6,6a]HH)(C[4]C[4]HH)2(N[6]C[6]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	111.9190	0.000	1	111.9190	0.000	1	111.9190	0.000	1	111.9190	0.000	1	114.0980	3.562	3	109.3838	9.223	37
466	478	643	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[4,6]-4:C[6,6a]-3:H-1:H-1:	C[4,5,6]-4:C[6]-4:C[4]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[4,6](C[4,5,6]C[4,5]N[5,6]H)(C[6]C[6,6a]HH)(C[4]C[4,5]HH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[4,6]HH)(C[6a]C[6a]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[4,6](C[4,5,6]C[4,5]N[5,6]H)(C[6]C[6,6a]HH)(C[4]C[4,5]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[4,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	115.1875	0.050	2	115.1875	0.003	2	115.1875	0.003	2	115.1875	0.003	2	114.0980	3.562	3	109.3838	9.223	37
466	478	658	6:SP3_SP3_SP3	C[6]	C[4,6]	Si[6]	4:4:1:1:	4:4:4:3:	4:2:4:4:	C[4,6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[4]-4:C[4]-3:	C[6]-4:O[6]-2:C-4:C-4:	C[6](C[4,6]C[4]2C[6])(Si[6]O[6]CC)(H)2	C[4,6](C[6]Si[6]HH)2(C[4]C[4]HO)(C[4]C[4]O)	Si[6](C[6]C[4,6]HH)(O[6]Si[6])(CH3)2	C[6](C[4,6]C[4]2C[6])(Si[6]O[6]CC)(H)2{1|Si<4>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[4,6](C[6]Si[6]HH)2(C[4]C[4]HO)(C[4]C[4]O){1|H<1>,1|O<2>,5|C<4>}	Si[6](C[6]C[4,6]HH)(O[6]Si[6])(CH3)2{1|C<3>,4|C<4>}	117.1785	0.738	2	117.1785	0.544	2	117.1785	0.544	2	117.1785	0.544	2	117.1785	0.544	2	117.1785	0.544	2
466	478	762	0:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[6]	4:4:3:2:	4:4:4:1:	4:3:1:	C[3x6]-4:C[4,6,6]-4:C[6]-3:O-2:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6]O)(OH)	C[4,6,6](C[3x6]C[3x6]C[6]O)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6](C[3x6]C[4,6,6]C[3x6]O)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[3x6]C[3x6]C[6]O)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6]O)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	110.9701	8.265	9
466	478	762	0:SP3_SP2_SP3	C[4x6]	C[4,3x6]	C[6,6]	4:4:3:1:	4:4:4:1:	4:3:3:	C[4,3x6]-4:C[5x6]-4:C[6,6]-3:H-1:	C[4,3x6]-4:C[4,6,6]-4:C[4x6]-4:H-1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H)	C[4,3x6](C[4,3x6]C[4,4x6]N[6,6]H)(C[4,6,6]C[4,4x6]N[6]H)(C[4x6]C[5x6]C[6,6]H)(H)	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|N<3>,4|H<1>}	C[4,3x6](C[4,3x6]C[4,4x6]N[6,6]H)(C[4,6,6]C[4,4x6]N[6]H)(C[4x6]C[5x6]C[6,6]H)(H){2|N<3>,3|C<3>,4|C<4>}	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	113.0345	0.046	2	113.0345	0.002	2	113.0345	0.002	2	113.0345	0.002	2	113.0345	0.002	2	110.9701	8.265	9
466	478	762	0:SP3_SP2_SP3	C[6,6]	C[4,6]	C[6]	4:4:3:2:	4:4:3:4:	4:4:1:	C[4,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[4,6]-4:C[4]-3:C-4:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH)	C[4,6](C[6,6]C[6,6]C[6]O)(C[4,6]C[6]O[4]H)(C[4]O[4]O)(CH3)	C[6](C[6,6]C[4,6]C[6,6]O)(C[6]C[6,6]HH)(O)	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[4,6](C[6,6]C[6,6]C[6]O)(C[4,6]C[6]O[4]H)(C[4]O[4]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[4,6]C[6,6]O)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	112.6830	0.000	1	112.6830	0.000	1	112.6830	0.000	1	112.6830	0.000	1	112.6830	0.000	1	110.9701	8.265	9
466	478	762	0:SP3_SP2_SP3	C[6]	C[4]	C[6]	4:3:2:1:	4:3:2:1:	4:3:2:	C[4]-4:C[6]-3:N[6]-2:H-1:	C[6]-4:C[4]-3:S[4]-2:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[4]C[4]S[4]H)(C[6]C[6a]N[6])(N[6]C[6])(H)	C[4](C[6]C[6]N[6]H)(C[4]C[4]O)(S[4]C[4])(H)	C[6](C[6]C[4]N[6]H)(C[6a]C[6a]2)(N[6]N[6])	C[6](C[4]C[4]S[4]H)(C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,1|O<1>,4|C<3>}	C[4](C[6]C[6]N[6]H)(C[4]C[4]O)(S[4]C[4])(H){1|N<2>,3|C<3>}	C[6](C[6]C[4]N[6]H)(C[6a]C[6a]2)(N[6]N[6]){1|S<2>,4|C<3>,4|H<1>}	110.2670	0.000	1	110.2670	0.000	1	110.2670	0.000	1	110.2670	0.000	1	110.3720	11.185	5	110.9701	8.265	9
466	478	762	0:SP3_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:1:	4:4:3:4:	4:3:1:	C[4]-4:C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-4:C[4]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H)	C[4](C[4]C[4]C[6]C)(C[6]C[6]2H)(C[4]C[4]C)(CHHO)	C[6](C[6]C[4]C[6]H)(C[6]C[6]H)(H)	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>,4|C<4>}	C[4](C[4]C[4]C[6]C)(C[6]C[6]2H)(C[4]C[4]C)(CHHO){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[4]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	109.5010	0.000	1	109.5010	0.000	1	109.5010	0.000	1	111.5827	13.946	3	110.3720	11.185	5	110.9701	8.265	9
466	478	762	0:SP3_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:1:	4:4:3:4:	4:3:1:	C[4]-4:C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-4:C[4]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H)	C[4](C[4]C[4]C[6]C)(C[6]C[6]2H)(C[4]C[4]C)(CHHO)	C[6](C[6]C[4]C[6]H)(N[6]C[6]C)(O)	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>,4|C<4>}	C[4](C[4]C[4]C[6]C)(C[6]C[6]2H)(C[4]C[4]C)(CHHO){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[4]C[6]H)(N[6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	115.8940	0.000	1	115.8940	0.000	1	115.8940	0.000	1	111.5827	13.946	3	110.3720	11.185	5	110.9701	8.265	9
466	478	762	0:SP3_SP2_SP3	C[6]	C[4]	C[6]	4:3:3:1:	4:4:3:4:	4:3:1:	C[4]-4:C[6]-3:N[6]-3:H-1:	C[4]-4:C[6]-4:C[4]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H)	C[4](C[4]C[4]C[6]C)(C[6]C[6]N[6]H)(C[4]C[4]C)(CHHO)	C[6](C[6]C[4]N[6]H)(C[6]C[6]H)(H)	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[4](C[4]C[4]C[6]C)(C[6]C[6]N[6]H)(C[4]C[4]C)(CHHO){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[4]N[6]H)(C[6]C[6]H)(H){1|H<1>,3|C<3>,3|C<4>}	109.3530	0.000	1	109.3530	0.000	1	109.3530	0.000	1	111.5827	13.946	3	110.3720	11.185	5	110.9701	8.265	9
466	478	762	0:SP3_SP2_SP3	C[6]	C[4]	C[6]	5:4:4:3:	4:4:3:1:	4:4:1:	C[3x3,4,3x5,14x6]-5:C[4]-4:C[6]-4:C[6]-3:	C[6]-4:C[4]-4:C[4]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[4](C[6]C[3x3,4,3x5,14x6]C[6]2)(C[4]C[4]C[6]H)(C[4]C[4]C)(H)	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<5>,2|C<3>,2|C<4>,5|B<6>,9|H<1>}	C[4](C[6]C[3x3,4,3x5,14x6]C[6]2)(C[4]C[4]C[6]H)(C[4]C[4]C)(H){1|C<3>,1|C<5>,3|H<1>,4|B<6>,4|C<4>}	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|B<6>,5|H<1>}	106.8450	0.000	1	106.8450	0.000	1	106.8450	0.000	1	106.8450	0.000	1	110.3720	11.185	5	110.9701	8.265	9
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,3x6]	C[6,6]	4:4:3:1:	4:4:4:3:	4:3:1:	C[4,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4,3x6]-4:C[3,4]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[4,3x6]C[4,3x6]C[3,4]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[4,3x6](C[4,3x6]C[3,4]C[3x6]C[6])(C[3,4]C[3,4]C[3]2)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,3x6]C[4,3x6]C[3,4]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[4,3x6](C[4,3x6]C[3,4]C[3x6]C[6])(C[3,4]C[3,4]C[3]2)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O){1|O<1>,3|C<3>,3|C<4>,8|H<1>}	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	105.2260	0.239	2	105.2260	0.057	2	105.2260	0.057	2	105.2260	0.057	2	105.2260	0.057	2	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,5,3x6]	C[6,6]	4:4:3:1:	4:4:3:4:	4:3:1:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:C[3x6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H){1|C<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	107.5470	0.167	2	107.5273	0.015	3	106.9706	0.589	5	106.9706	0.589	5	107.1047	0.626	12	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,5,3x6]	C[6,6]	4:4:3:1:	4:4:3:4:	4:3:1:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:C[3x6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	107.4880	0.000	1	107.5273	0.015	3	106.9706	0.589	5	106.9706	0.589	5	107.1047	0.626	12	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,5,3x6]	C[6,6]	4:4:3:1:	4:4:3:4:	4:3:1:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:C[3x6]-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	106.1355	0.030	2	106.1355	0.001	2	106.9706	0.589	5	106.9706	0.589	5	107.1047	0.626	12	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,5,3x6]	C[6,6]	4:4:3:1:	4:4:4:2:	4:3:1:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,5,6]-4:C[3x6]-4:O[5,6]-2:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[3x6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x6]C[3x6]C[6,6]H)(O[5,6]C[5,5,6,6])	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[3x6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x6]C[3x6]C[6,6]H)(O[5,6]C[5,5,6,6]){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	106.9510	0.000	1	106.9510	0.000	1	106.9510	0.000	1	106.7848	0.338	5	107.1047	0.626	12	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,5,3x6]	C[6,6]	4:4:3:1:	4:4:4:2:	4:3:1:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[3x6]-4:O[5,6]-2:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]C[6,6]H)(O[5,6]C[5,3x6])	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]C[6,6]H)(O[5,6]C[5,3x6]){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|O<2>,2|H<1>,4|C<4>}	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	106.7848	0.338	5	107.1047	0.626	12	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,5,3x6]	C[6,6]	4:4:3:1:	4:4:4:2:	4:3:1:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[3x6]-4:O[5,6]-2:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O[5,6]C[5,3x6])	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O[5,6]C[5,3x6]){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|O<2>,3|C<4>,3|H<1>}	106.5400	0.640	3	106.5400	0.410	3	106.5400	0.410	3	106.7848	0.338	5	107.1047	0.626	12	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,5,3x6]	C[6,6]	4:4:3:1:	4:4:4:3:	4:3:1:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,5,6]-4:C[3x6]-4:C[5,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,5,6,6]O)	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,5,6,6]O){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	108.2395	0.006	2	107.1047	0.626	12	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,5,3x6]	C[6,6]	4:4:3:1:	4:4:4:3:	4:3:1:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[3x6]-4:C[5,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,3x6]O)	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,3x6]O){1|C<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[4,5,3x6]C[3x6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|H<1>,3|C<4>}	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	108.2395	0.006	2	107.1047	0.626	12	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,5,6,6]	C[6,6]	4:3:3:1:	4:4:4:3:	4:3:1:	C[4,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[4,5,6,6]-4:C[3x6]-4:C[5]-4:C[4]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[4,5,6,6](C[4,5,6,6]C[3x6]C[4]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]HH)(C[4]C[4]C)	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	C[4,5,6,6](C[4,5,6,6]C[3x6]C[4]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]HH)(C[4]C[4]C){2|C<2>,2|C<3>,6|H<1>}	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	107.9885	0.448	2	107.9885	0.200	2	107.9885	0.200	2	107.9885	0.200	2	103.9356	22.031	4	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,5,6,6]	C[6,6]	4:3:3:1:	4:4:4:3:	4:3:2:	C[4,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[4,5,6,6]-4:C[3x6]-4:C[5]-4:C[4]-3:	C[3x6]-4:C[6,6]-3:C-2:	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[4,5,6,6](C[4,5,6,6]C[3x6]C[4]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]HH)(C[4]C[4]C)	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CC)	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	C[4,5,6,6](C[4,5,6,6]C[3x6]C[4]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]HH)(C[4]C[4]C){2|C<2>,2|C<3>,6|H<1>}	C[6,6](C[3x6]C[4,5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CC){2|C<3>,2|C<4>,2|H<1>}	99.8826	0.433	2	99.8826	0.188	2	99.8826	0.188	2	99.8826	0.188	2	103.9356	22.031	4	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:3:2:4:	4:4:4:1:	4:4:2:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6,6])	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|O<1>,4|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6,6]){1|C<3>,2|H<1>,4|C<4>}	108.8820	0.000	1	108.8820	0.000	1	109.2170	0.077	5	109.2170	0.077	5	109.7277	1.286	7	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:3:2:4:	4:4:4:1:	4:4:2:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	109.5110	0.000	1	109.3007	0.057	4	109.2170	0.077	5	109.2170	0.077	5	109.7277	1.286	7	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:3:2:4:	4:4:4:1:	4:4:2:	C[4,6,6]-4:C[3x6]-3:O[6]-2:C-4:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3)	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(O[6]C[6])(CH3){1|O<1>,4|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[3x6]O[6]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){1|C<3>,3|C<4>,3|H<1>}	109.2307	0.235	3	109.3007	0.057	4	109.2170	0.077	5	109.2170	0.077	5	109.7277	1.286	7	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:4:3:1:	4:4:4:1:	4:3:3:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	C[4,6,6](C[3x6]C[5,6,6]C[3x6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]HH)(H)	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|N<3>,2|O<1>,4|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[5,6,6]C[3x6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]HH)(H){2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,4|C<4>,7|H<1>}	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	109.7277	1.286	7	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[3x6]	4:4:3:1:	4:4:4:1:	4:3:4:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	C[4,6,6](C[3x6]C[5,6,6]C[3x6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CC)(H)	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[4,6,6](C[3x6]C[5,6,6]C[3x6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CC)(H){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	112.1960	0.000	1	112.1960	0.000	1	112.1960	0.000	1	112.1960	0.000	1	109.7277	1.286	7	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[6,6]	3:4:3:1:	4:4:4:1:	4:3:1:	C[6,6,6a]-3:C[4,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H)	C[4,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]BrH)(H)	C[6,6](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]BrH)(H){1|Br<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	107.8780	1.080	2	107.8780	1.167	2	107.8780	1.167	2	107.8780	1.167	2	109.1449	1.765	7	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[6,6]	4:3:4:1:	4:4:3:1:	4:3:3:	C[4,6,6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[4,6,6]-4:C[3x6]-4:C[4]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[6a]C[4])(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[6a]C[4])(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,6|H<1>}	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	109.1449	1.765	7	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[6,6]	4:3:4:2:	4:4:4:1:	4:4:1:	C[4,6,6]-4:C[6,6]-3:C[6]-4:O[6]-2:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[3x6])	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(O)	C[3x6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(C[6]C[6]HH)(O[6]C[3x6]){1|C<3>,4|C<4>,6|H<1>}	C[4,6,6](C[3x6]C[6,6]C[6]O[6])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	109.2590	0.000	1	109.2590	0.000	1	109.2590	0.000	1	109.2590	0.000	1	109.1449	1.765	7	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[6,6]	4:4:3:1:	4:4:3:1:	4:3:4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[3x6]-4:C[4]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[4]C)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a])(CH3)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[4]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a])(CH3){2|C<4>,3|C<3>,4|H<1>}	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	109.2640	0.000	1	109.1449	1.765	7	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[6,6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H)	C[4,6,6](C[3x6]C[3x6]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CH)(H)	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H){1|C<3>,5|C<4>,5|H<1>}	C[4,6,6](C[3x6]C[3x6]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H){3|H<1>,4|C<4>}	111.5000	0.000	1	111.5000	0.000	1	110.5905	1.654	2	110.5905	1.654	2	109.1449	1.765	7	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	C[6,6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[4,6,6](C[3x6]C[3x6]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CH)(H)	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[4,6,6](C[3x6]C[3x6]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[4,6,6]C[3x6]H)(C[6,6]C[3x6]H)(H){1|C<3>,3|C<4>,3|H<1>}	109.6810	0.000	1	109.6810	0.000	1	110.5905	1.654	2	110.5905	1.654	2	109.1449	1.765	7	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[4x6]	C[4,4x6]	C[6]	4:4:3:1:	4:4:4:3:	4:3:1:	C[4,4x6]-4:C[5x6]-4:C[6]-3:H-1:	C[4,3x6]-4:C[4,6,6]-4:C[4x6]-4:N-3:	C[4x6]-4:C[6]-3:H-1:	C[4x6](C[4,4x6]C[4,3x6]C[4,6,6]N)(C[5x6]C[3x6]C[4x6]N)(C[6]C[6]H)(H)	C[4,4x6](C[4,3x6]C[4,3x6]N[6,6]H)(C[4,6,6]C[4,3x6]N[6]H)(C[4x6]C[5x6]C[6]H)(NOO)	C[6](C[4x6]C[4,4x6]C[5x6]H)(C[6]N[6]H)(H)	C[4x6](C[4,4x6]C[4,3x6]C[4,6,6]N)(C[5x6]C[3x6]C[4x6]N)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|N<3>,5|H<1>}	C[4,4x6](C[4,3x6]C[4,3x6]N[6,6]H)(C[4,6,6]C[4,3x6]N[6]H)(C[4x6]C[5x6]C[6]H)(NOO){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[4x6]C[4,4x6]C[5x6]H)(C[6]N[6]H)(H){2|N<3>,5|C<4>}	110.1660	0.044	2	110.1660	0.002	2	110.1660	0.002	2	110.1660	0.002	2	110.1660	0.002	2	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[3x6]	4:3:1:1:	4:4:4:1:	3:4:2:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[6,6]-4:O[6]-2:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]O[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[3x6])	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]O[6])(H)2{2|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|O<2>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(O[6]C[3x6]){1|C<3>,4|C<4>,4|H<1>}	109.3030	0.000	1	109.3030	0.000	1	109.3030	0.000	1	109.3030	0.000	1	110.3888	1.628	52	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[3x6]	4:3:1:1:	4:4:4:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|H<1>,2|C<3>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	110.2963	1.639	28	110.3009	2.388	32	110.3009	2.388	32	110.4313	1.821	45	110.3888	1.628	52	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[3x6]	4:3:1:1:	4:4:4:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|H<1>,2|C<3>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,3|H<1>}	110.3335	0.711	4	110.3009	2.388	32	110.3009	2.388	32	110.4313	1.821	45	110.3888	1.628	52	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[3x6]	4:3:1:1:	4:4:4:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Mn<5>,2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|N<3>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){1|C<3>,3|C<4>,3|H<1>}	110.6838	0.485	4	110.6284	0.249	9	110.7523	0.352	13	110.4313	1.821	45	110.3888	1.628	52	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[3x6]	4:3:1:1:	4:4:4:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Mn<5>,2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|N<3>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){2|C<3>,2|C<4>,3|H<1>}	110.8237	0.339	3	110.6284	0.249	9	110.7523	0.352	13	110.4313	1.821	45	110.3888	1.628	52	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[3x6]	4:3:1:1:	4:4:4:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Mn<6>,2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|N<3>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){2|C<3>,2|C<4>,3|H<1>}	110.2250	0.775	2	110.6284	0.249	9	110.7523	0.352	13	110.4313	1.821	45	110.3888	1.628	52	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[3x6]	4:3:1:1:	4:4:4:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Re)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Re<6>,2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|N<3>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Re){2|C<3>,2|C<4>,3|H<1>}	111.0310	0.771	4	111.0310	0.594	4	110.7523	0.352	13	110.4313	1.821	45	110.3888	1.628	52	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[3x6]	4:3:1:1:	4:4:4:1:	4:4:2:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6,6])	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|O<2>,2|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<4>,1|H<1>,1|N<2>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6,6]){1|C<3>,2|H<1>,4|C<4>}	109.4810	0.000	1	109.4810	0.000	1	110.3460	0.314	5	110.3460	0.314	5	110.3888	1.628	52	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[3x6]	4:3:1:1:	4:4:4:1:	4:4:2:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<4>,1|H<1>,1|N<2>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	110.4530	0.000	1	110.5623	0.107	4	110.3460	0.314	5	110.3460	0.314	5	110.3888	1.628	52	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[3x6]	4:3:1:1:	4:4:4:1:	4:4:2:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:N[6]-2:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|O<2>,2|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<4>,1|H<1>,1|N<2>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){1|C<3>,3|C<4>,3|H<1>}	110.5987	0.390	3	110.5623	0.107	4	110.3460	0.314	5	110.3460	0.314	5	110.3888	1.628	52	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[3x6]	4:3:4:1:	4:4:4:1:	3:4:3:	C[4,6,6]-4:C[3x6]-3:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]CH)(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]CH)(N[6]C[6]Re)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(CH3)(H){1|Re<6>,2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]CH)(H){1|C<3>,1|H<1>,1|N<3>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]CH)(N[6]C[6]Re){2|C<3>,2|C<4>,3|H<1>}	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	110.3888	1.628	52	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:1:1:	4:4:4:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]CH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{1|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	110.0330	0.000	1	110.0330	0.000	1	110.5038	0.659	25	110.5038	0.659	25	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:1:1:	4:4:4:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	110.7359	1.070	12	110.5235	0.678	24	110.5038	0.659	25	110.5038	0.659	25	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:1:1:	4:4:4:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	110.1380	0.714	3	110.5235	0.678	24	110.5038	0.659	25	110.5038	0.659	25	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:1:1:	4:4:4:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	110.3687	0.310	9	110.5235	0.678	24	110.5038	0.659	25	110.5038	0.659	25	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:1:1:	4:4:4:1:	4:3:3:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|H<1>,2|C<3>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]H){2|C<4>,2|H<1>}	110.8710	0.000	1	110.8710	0.000	1	110.6600	0.089	2	110.6600	0.089	2	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:1:1:	4:4:4:1:	4:3:3:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|H<1>,2|C<3>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]O){2|C<4>,2|H<1>}	110.4490	0.000	1	110.4490	0.000	1	110.6600	0.089	2	110.6600	0.089	2	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:1:1:	4:4:4:1:	4:4:1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]O)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	112.1560	0.000	1	112.1560	0.000	1	112.1560	0.000	1	112.2820	0.153	4	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:1:1:	4:4:4:1:	4:4:1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|H<1>}	112.5410	0.000	1	112.5410	0.000	1	112.5410	0.000	1	112.2820	0.153	4	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:1:1:	4:4:4:1:	4:4:1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O){2|C<4>,2|H<1>}	111.7870	0.000	1	112.2155	0.367	2	112.2155	0.367	2	112.2820	0.153	4	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:1:1:	4:4:4:1:	4:4:1:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O){2|C<4>,2|H<1>}	112.6440	0.000	1	112.2155	0.367	2	112.2155	0.367	2	112.2820	0.153	4	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:1:1:	4:4:4:1:	4:4:2:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(NC)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,1|N<2>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(NC){2|C<4>,2|H<1>}	112.6410	0.000	1	112.6410	0.000	1	112.6410	0.000	1	112.6410	0.000	1	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:2:1:	4:4:4:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(OH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	C[6,6](C[6,6]C[4,6,6]HO)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(OH)(H){2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<3>,2|H<1>}	C[6,6](C[6,6]C[4,6,6]HO)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	110.4520	0.439	3	110.4520	0.193	3	110.4520	0.193	3	110.4520	0.193	3	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:3:1:	4:4:4:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:N-3:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(NHS)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HN)(H)	C[6,6](C[6,6]C[4,6,6]HN)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(NHS)(H){2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HN)(H){1|C<3>,2|H<1>}	C[6,6](C[6,6]C[4,6,6]HN)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	109.6770	0.000	1	109.6770	0.000	1	109.6770	0.000	1	109.6770	0.000	1	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:3:2:	4:4:4:1:	4:4:1:	C[4,6,6]-4:C[6,6]-3:C-3:O-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(COO)(OH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(COO)(OH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O){2|C<4>,2|H<1>}	110.9270	0.000	1	110.9270	0.000	1	110.9270	0.000	1	110.9270	0.000	1	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:4:1:	4:4:4:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H){2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<3>,2|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:4:1:	4:4:4:1:	4:4:1:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHHN)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHHN)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,2|H<1>}	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H){2|C<4>,2|H<1>}	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:4:2:	4:4:4:1:	4:4:1:	C[4,6,6]-4:C[6,6]-3:C-4:O-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(CCHH)(OO)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(CCHH)(OO){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(O){2|C<4>,2|H<1>}	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6,6]	4:3:4:2:	4:4:4:1:	4:4:2:	C[4,6,6]-4:C[6,6]-3:C-4:O-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-2:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(CH3)(OH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(NC)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(CH3)(OH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,1|H<1>,1|N<2>}	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(NC){2|C<4>,2|H<1>}	109.3340	0.000	1	109.3340	0.000	1	109.3340	0.000	1	109.3340	0.000	1	110.6527	0.945	41	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6]	4:3:2:4:	4:4:3:1:	4:3:4:	C[4,6,6]-4:C[6]-3:O[6]-2:C-4:	C[4,6]-4:C[6,6]-4:C[4,6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]C)(O[6]C[6])(CCCH)	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6]O[6]C)(C[4,6]C[4]C[6])(H)	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]H)(CH3)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]C)(O[6]C[6])(CCCH){1|C<4>,2|C<3>,4|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6]O[6]C)(C[4,6]C[4]C[6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.8630	0.000	1	111.8630	0.000	1	111.8630	0.000	1	111.8630	0.000	1	111.4880	0.281	2	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C[6]	4:3:3:4:	4:4:3:1:	4:3:1:	C[4,6,6]-4:C[6]-3:N[6]-3:C-4:	C[4,6]-4:C[6,6]-4:C[4,6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]H)(N[6]C[6]S)(CH3)	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6]N[6]C)(C[4,6]C[4]C[6])(H)	C[6](C[6,6]C[4,6,6]N[6]C)(C[6]C[6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6]N[6]C)(C[4,6]C[4]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[6,6]C[4,6,6]N[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,2|C<4>}	111.1130	0.000	1	111.1130	0.000	1	111.1130	0.000	1	111.1130	0.000	1	111.4880	0.281	2	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,5,6,6]	C[6]	4:3:1:1:	4:4:4:4:	4:3:1:	C[4,5,6,6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4,6]-4:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2	C[4,5,6,6](C[4,5,6]C[5,5,3x6]C[4]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[4,6]C[4]C[6]H)(C[6]C[6]HH)	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(O)	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6]C[5,5,3x6]C[4]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[4,6]C[4]C[6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(O){1|O<2>,3|C<4>}	117.9300	0.000	1	117.9300	0.000	1	117.9300	0.000	1	117.9300	0.000	1	116.0600	2.753	3	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,5,6,6]	C[6]	4:3:1:1:	4:4:4:4:	4:3:2:	C[4,5,6,6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4,6]-4:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2	C[4,5,6,6](C[4,5,6]C[5,5,3x6]C[4]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[4,6]C[4]C[6]H)(C[6]C[6]HH)	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(OC)	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6]C[5,5,3x6]C[4]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[4,6]C[4]C[6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(OC){1|O<1>,3|C<4>}	115.1250	0.511	2	115.1250	0.261	2	115.1250	0.261	2	115.1250	0.261	2	116.0600	2.753	3	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:1:	3:3:4:4:	4:3:1:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[4,6]-3:C[4]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6]C[6]H)(H)2	C[4,6](C[6a]C[6a,6a]C[6a])(C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH)	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[4,6](C[6a]C[6a,6a]C[6a])(C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH){4|C<3>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:1:	3:4:4:1:	4:3:3:	C[4,6]-4:C[6]-3:H-1:H-1:	N[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]C)(H)2	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(CSnH)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(CSnH){1|C<4>,1|N<3>,3|H<1>}	109.1370	0.000	1	109.1370	0.000	1	109.1370	0.000	1	109.1370	0.000	1	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:1:	4:3:4:4:	3:4:3:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[4]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C-3:	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2	C[4,6](C[4,5,6]N[5,6]C[4]O[5])(C[4]C[6a]C[4])(C[6]C[6]HH)(CH3)	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CCrO)	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[4,6](C[4,5,6]N[5,6]C[4]O[5])(C[4]C[6a]C[4])(C[6]C[6]HH)(CH3){2|C<4>,5|C<3>}	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CCrO){3|C<3>,3|C<4>}	113.4100	0.000	1	113.4100	0.000	1	113.0860	1.260	3	113.0860	1.260	3	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:1:	4:3:4:4:	3:4:3:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[4]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C-3:	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2	C[4,6](C[4,5,6]N[5,6]C[4]O[5])(C[4]C[6a]C[4])(C[6]C[6]HH)(CH3)	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(COO)	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[4,6](C[4,5,6]N[5,6]C[4]O[5])(C[4]C[6a]C[4])(C[6]C[6]HH)(CH3){2|C<4>,5|C<3>}	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(COO){3|C<3>,3|C<4>}	114.0110	0.000	1	114.0110	0.000	1	113.0860	1.260	3	113.0860	1.260	3	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:1:	4:3:4:4:	3:4:3:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[4]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C-3:	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2	C[4,6](C[4,5,6]N[5,6]C[4]O[5])(C[4]C[6a]C[4])(C[6]C[6]HH)(CH3)	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CSeO)	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[4,6](C[4,5,6]N[5,6]C[4]O[5])(C[4]C[6a]C[4])(C[6]C[6]HH)(CH3){2|C<4>,5|C<3>}	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CSeO){3|C<3>,3|C<4>}	111.8370	0.000	1	111.8370	0.000	1	113.0860	1.260	3	113.0860	1.260	3	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:1:	4:4:4:1:	4:2:1:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:O-1:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]O[6]O)(H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]HH)(O[6]C[6,6])(O)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]O[6]O)(H)2{2|C<4>,3|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	110.2615	0.827	2	110.2615	0.683	2	110.2615	0.683	2	110.2615	0.683	2	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:1:	4:4:4:1:	4:3:1:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]O)(H)2	C[4,6](C[4,6,6]C[6,6]C[4]C[6])(C[4]C[4]CC)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(O)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[4,6](C[4,6,6]C[6,6]C[4]C[6])(C[4]C[4]CC)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<4>}	114.8250	0.000	1	114.8250	0.000	1	114.8250	0.000	1	114.8250	0.000	1	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:1:	4:4:4:1:	4:4:1:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]H)(H)2	C[4,6](C[4,5,6]C[4,5]C[5]C[6])(C[4]C[4,5]HH)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4,6](C[4,5,6]C[4,5]C[5]C[6])(C[4]C[4,5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<4>}	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	111.7692	3.058	4	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:1:	4:4:4:1:	4:4:1:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6]O)(H)2	C[4,6](C[4,6,6]C[4,6,6]C[6,6]C)(C[4,6]C[4,6,6]C[6]O)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6,6]CC)(O)	C[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[4,6](C[4,6,6]C[4,6,6]C[6,6]C)(C[4,6]C[4,6,6]C[6]O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6,6]CC)(O){2|H<1>,3|C<4>}	109.5410	0.000	1	109.5410	0.000	1	109.5410	0.000	1	111.7692	3.058	4	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:1:	4:4:4:1:	4:4:1:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HO)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HW)(O)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H)2{1|O<2>,1|W<7>,2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|W<7>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]HW)(O){2|C<4>,2|H<1>}	113.1610	0.164	2	113.1610	0.027	2	113.1610	0.027	2	111.7692	3.058	4	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:1:	4:4:4:3:	4:3:3:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)2	C[4,6](C[4,6]C[4]N[6]C)(C[4]C[4]HH)(C[6]C[6]HH)(COO)	C[6](C[6]C[4,6]HH)(C[6]N[6]C)(COO)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[4,6](C[4,6]C[4]N[6]C)(C[4]C[4]HH)(C[6]C[6]HH)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[4,6]HH)(C[6]N[6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	114.1515	4.060	2	114.1515	16.480	2	114.1515	16.480	2	114.1515	16.480	2	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:1:1:	6:4:4:1:	4:3:1:	C[4,6]-4:C[6]-3:H-1:H-1:	C[5x3,4,5x5,20x6]-6:C[4,6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]O)(H)2	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,6]C[5x3,4,5x5,20x6]C[6]H)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(O)	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,6]C[5x3,4,5x5,20x6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,5|B<6>,5|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(O){1|C<4>,1|C<6>,2|H<1>}	118.4880	0.000	1	118.4880	0.000	1	118.4880	0.000	1	118.4880	0.000	1	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:3:1:	4:4:4:3:	4:3:3:	C[4,6]-4:C[6a]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-4:C[4]-4:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]N[6]C)(C[6]C[6a]C[6]H)(C[4]C[4]HH)(COO)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]N[6]C)(C[6]C[6a]C[6]H)(C[4]C[4]HH)(COO){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	109.8990	0.000	1	109.9075	0.000	2	109.9075	0.000	2	109.9075	0.000	2	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:3:1:	4:4:4:3:	4:3:3:	C[4,6]-4:C[6a]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-4:C[4]-4:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]N[6]C)(C[6]C[6a]C[6]H)(C[4]C[4]HH)(COO)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]N[6]C)(C[6]C[6a]C[6]H)(C[4]C[4]HH)(COO){2|H<1>,5|C<3>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	109.9160	0.000	1	109.9075	0.000	2	109.9075	0.000	2	109.9075	0.000	2	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	4:3:4:1:	4:4:4:2:	4:4:1:	C[4,6]-4:C[6]-3:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[5,6]-4:C[6]-4:O-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]O)(CH3)(H)	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]HH)(C[6]C[6]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[4,6]CH)(O)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]O)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]HH)(C[6]C[6]CH)(OH){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[4,6]CH)(O){1|O<2>,3|H<1>,4|C<4>}	109.5930	0.000	1	109.5930	0.000	1	109.5930	0.000	1	109.5930	0.000	1	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	5:4:3:1:	6:4:4:3:	4:3:1:	C[3x3,4,3x5,14x6]-5:C[4,6]-4:C[6]-3:H-1:	C[5x3,4,5x5,20x6]-6:C[6]-4:C[4]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H)	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[3x3,4,3x5,14x6]C[6]H)(C[4]C[5x3,4,5x5,20x6]HH)(C[6]C[6]H)	C[6](C[6]C[3x3,4,3x5,14x6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|C<6>,8|H<1>,9|B<6>}	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[3x3,4,3x5,14x6]C[6]H)(C[4]C[5x3,4,5x5,20x6]HH)(C[6]C[6]H){1|C<3>,6|H<1>,9|B<6>}	C[6](C[6]C[3x3,4,3x5,14x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	111.5824	8.742	20	110.1557	5.757	152
466	478	762	6:SP3_SP2_SP3	C[6]	C[4,6]	C[6]	6:4:3:1:	6:4:4:3:	4:3:1:	C[5x3,5x5,20x6]-6:C[4,6]-4:C[6]-3:H-1:	C[5x3,4,5x5,20x6]-6:C[6]-4:C[4]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H)	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[5x3,5x5,20x6]C[6]H)(C[4]C[5x3,4,5x5,20x6]HH)(C[6]C[6]H)	C[6](C[6]C[5x3,5x5,20x6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<6>,9|B<6>,9|H<1>}	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[5x3,5x5,20x6]C[6]H)(C[4]C[5x3,4,5x5,20x6]HH)(C[6]C[6]H){1|C<3>,1|C<6>,6|H<1>,9|B<6>}	C[6](C[6]C[5x3,5x5,20x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|C<6>,4|B<6>}	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	111.5824	8.742	20	110.1557	5.757	152
466	478	778	0:SP3_SP3_SPD5	C[6]	C[4,6]	C[3x3,4,3x5,14x6]	5:4:3:1:	6:4:4:3:	6:6:6:6:4:	C[3x3,4,3x5,14x6]-5:C[4,6]-4:C[6]-3:H-1:	C[5x3,4,5x5,20x6]-6:C[6]-4:C[4]-4:C[6]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-4:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H)	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[3x3,4,3x5,14x6]C[6]H)(C[4]C[5x3,4,5x5,20x6]HH)(C[6]C[6]H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[4,6]C[6]H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|C<6>,8|H<1>,9|B<6>}	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[3x3,4,3x5,14x6]C[6]H)(C[4]C[5x3,4,5x5,20x6]HH)(C[6]C[6]H){1|C<3>,6|H<1>,9|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[4,6]C[6]H){1|B<6>,1|C<4>,1|C<6>,2|C<3>,7|H<1>}	115.2170	0.000	1	115.2170	0.000	1	115.2170	0.000	1	115.2170	0.000	1	115.2170	0.000	1	109.3127	26.386	3
466	478	778	0:SP3_SP3_SPD5	C[6]	C[4]	C[3x3,4,3x5,14x6]	5:4:4:3:	4:4:3:1:	6:6:6:6:4:	C[3x3,4,3x5,14x6]-5:C[4]-4:C[6]-4:C[6]-3:	C[6]-4:C[4]-4:C[4]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-4:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[4](C[6]C[3x3,4,3x5,14x6]C[6]2)(C[4]C[4]C[6]H)(C[4]C[4]C)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[4]C[6]2)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<5>,2|C<3>,2|C<4>,5|B<6>,9|H<1>}	C[4](C[6]C[3x3,4,3x5,14x6]C[6]2)(C[4]C[4]C[6]H)(C[4]C[4]C)(H){1|C<3>,1|C<5>,3|H<1>,4|B<6>,4|C<4>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[4]C[6]2){1|B<6>,2|C<3>,3|C<4>,9|H<1>}	106.8510	0.000	1	106.8510	0.000	1	106.8510	0.000	1	106.8510	0.000	1	106.3605	0.481	2	109.3127	26.386	3
466	478	778	0:SP3_SP3_SPD5	C[6]	C[4]	C[3x3,4,3x5,14x6]	5:4:4:4:	4:4:3:1:	6:6:6:6:4:	C[3x3,4,3x5,14x6]-5:C[4]-4:C[6]-4:C[6]-4:	C[6]-4:C[4]-4:C[4]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-4:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)2	C[4](C[6]C[3x3,4,3x5,14x6]C[6]2)(C[4]C[4]C[6]H)(C[4]C[4]C)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[4]C[6]2)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(C[6]C[6]HH)2{1|C<5>,2|C<3>,2|C<4>,5|B<6>,9|H<1>}	C[4](C[6]C[3x3,4,3x5,14x6]C[6]2)(C[4]C[4]C[6]H)(C[4]C[4]C)(H){1|C<5>,2|C<3>,3|C<4>,4|B<6>,4|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[4]C[6]2){10|H<1>,1|B<6>,2|C<3>,3|C<4>}	105.8700	0.000	1	105.8700	0.000	1	105.8700	0.000	1	105.8700	0.000	1	106.3605	0.481	2	109.3127	26.386	3
466	478	790	0:SP3_SP-NON_SP3	C[6]	C[4,6]	Cl	4:4:1:1:	3:4:4:1:	4:	C[4,6]-4:C[6]-4:Cl-1:Cl-1:	N[4,6]-3:C[6]-4:C[4]-4:H-1:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(Cl)2	C[4,6](N[4,6]C[4]C[6])(C[6]C[6]Cl2)(C[4]C[4]HO)(H)	Cl(C[6]C[4,6]C[6]Cl)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(Cl)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[4,6](N[4,6]C[4]C[6])(C[6]C[6]Cl2)(C[4]C[4]HO)(H){1|C<4>,1|O<1>,4|H<1>}	Cl(C[6]C[4,6]C[6]Cl)	110.2435	0.322	2	110.2435	0.104	2	110.2435	0.104	2	110.2435	0.104	2	109.1207	3.834	3	109.1207	3.834	3
466	478	790	0:SP3_SP-NON_SP3	C[6]	C[4,6]	Cl	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:Cl-1:H-1:	C[4,6]-4:C[6]-4:N[4]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(C[6]N[6]CH)(Cl)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]ClH)(N[4]C[4]CH)(H)	Cl(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]N[4]H)(C[6]N[6]CH)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]ClH)(N[4]C[4]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	Cl(C[6]C[4,6]C[6]H)	106.8750	0.000	1	106.8750	0.000	1	106.8750	0.000	1	106.8750	0.000	1	109.1207	3.834	3	109.1207	3.834	3
466	478	818	6:SP3_SP2_SP3	C[6]	C[4,5,6]	C[5,6]	4:3:3:1:	4:4:4:2:	4:3:4:	C[4,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[6]-4:C[4]-4:O[5]-2:	C[6]-4:C[5,6]-3:C[5]-4:	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[4,5,6](C[4,5,6]C[4]C[5]O[6])(C[6]C[5,6]C[6a]H)(C[4]C[4]HH)(O[5]C[5])	C[5,6](C[6]C[4,5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,6|H<1>}	C[4,5,6](C[4,5,6]C[4]C[5]O[6])(C[6]C[5,6]C[6a]H)(C[4]C[4]HH)(O[5]C[5]){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6]C[4,5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1
466	478	830	0:SP3_SP-NON_SP3	C[6]	C[4,6]	F	4:4:1:1:	3:4:4:4:	4:	C[4,6]-4:C[6]-4:F-1:H-1:	C[6,6a]-3:C[4]-4:C[4]-4:C[6]-4:	C[6]-4:	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(F)(H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)(C[4]C[4]HN)(C[6]C[6]FH)	F(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(F)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)(C[4]C[4]HN)(C[6]C[6]FH){1|C<4>,2|C<3>,5|H<1>}	F(C[6]C[4,6]C[6]H)	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1
466	478	854	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	N[6,6]	4:4:1:1:	4:3:4:1:	4:4:1:1:	C[4,6,6]-4:N[6,6]-4:H-1:H-1:	C[4,6]-4:N[4,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(N[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(N[4,6]C[4,6,6]C)(C[6,6]N[6,6]HH)(H)	N[6,6](C[6,6]C[4,6,6]HH)2(H)2	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(N[6,6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(N[4,6]C[4,6,6]C)(C[6,6]N[6,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	110.8100	0.199	2	110.8100	0.040	2	110.8100	0.040	2	110.8100	0.040	2	110.8100	0.040	2	110.8100	0.040	2
466	478	856	0:SP3_SP2_SP3	C[6]	C[4]	N[6]	4:3:3:1:	4:4:3:4:	4:3:4:	C[4]-4:C[6]-3:N[6]-3:H-1:	C[4]-4:C[6]-4:C[4]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H)	C[4](C[4]C[4]C[6]C)(C[6]C[6]N[6]H)(C[4]C[4]C)(CHHO)	N[6](C[6]C[4]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[4](C[4]C[4]C[6]C)(C[6]C[6]N[6]H)(C[4]C[4]C)(CHHO){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[4]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,2|H<1>,3|C<3>}	115.5160	0.000	1	115.5160	0.000	1	115.5160	0.000	1	115.5160	0.000	1	115.5160	0.000	1	115.5160	0.000	1
466	478	856	6:SP3_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:1:	4:4:3:1:	3:4:3:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:N[4]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]C)(H)2	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]N[6]HH)(N[4]C[4]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(CCO)	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]N[6]HH)(N[4]C[4]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(CCO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	110.6723	2.092	7	110.6723	2.092	7
466	478	856	6:SP3_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:1:	4:4:3:1:	3:4:4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2	C[4,6](C[4,6]C[6,6a]C[6a]C[4])(C[6]N[6]HH)(C[4]C[4]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2{1|C<4>,4|C<3>}	C[4,6](C[4,6]C[6,6a]C[6a]C[4])(C[6]N[6]HH)(C[4]C[4]C)(H){1|C<4>,1|S<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	109.0535	0.144	2	109.0535	0.021	2	109.0535	0.021	2	110.2243	4.123	3	110.6723	2.092	7	110.6723	2.092	7
466	478	856	6:SP3_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:1:	4:4:3:1:	3:4:4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:N[4]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]S)(H)2	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]N[6]HH)(N[4]C[4]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]N[6]HH)(N[4]C[4]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	110.2243	4.123	3	110.6723	2.092	7	110.6723	2.092	7
466	478	856	6:SP3_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:1:	4:4:4:1:	4:3:3:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]N[6]HH)(H)	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO){2|C<4>,3|H<1>}	110.7990	0.000	1	110.7990	0.000	1	110.6535	0.042	2	110.6535	0.042	2	110.6723	2.092	7	110.6723	2.092	7
466	478	856	6:SP3_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:1:	4:4:4:1:	4:3:3:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]C[5]H)(C[6]N[6]HH)(H)	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]C[5]H)(C[6]N[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,3|H<1>}	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO){2|C<4>,3|H<1>}	110.5080	0.000	1	110.5080	0.000	1	110.6535	0.042	2	110.6535	0.042	2	110.6723	2.092	7	110.6723	2.092	7
466	478	856	6:SP3_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:3:1:	3:4:4:1:	4:3:3:	C[4,6]-4:C[6a]-3:N[6]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[4,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,2|H<1>,6|C<3>}	C[4,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(C[6]C[6a]N[6]H)(H){2|H<1>,6|C<3>}	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C){1|C<4>,2|H<1>,5|C<3>}	110.2000	0.000	1	110.2000	0.000	1	110.2000	0.000	1	110.2000	0.000	1	110.6723	2.092	7	110.6723	2.092	7
466	478	856	6:SP3_SP3_SP3	C[6,6]	C[4,4x6]	N[6]	4:4:3:1:	4:4:4:2:	4:4:4:	C[4,4x6]-4:C[6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[4,6]-4:C[6,6]-4:O[4,6]-2:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[4,4x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[4,6]C[4,6,6]HH)(C[6,6]C[6]N[6]H)(O[4,6]C[4,6,6])	N[6](C[6,6]C[4,4x6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[4,4x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[4,6]C[4,6,6]HH)(C[6,6]C[6]N[6]H)(O[4,6]C[4,6,6]){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	N[6](C[6,6]C[4,4x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	109.7486	5.300	18
466	478	856	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	N[6,6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[4,6,6]-4:N[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:S-4:	C[6,6](C[4,6,6]C[4,6]2H)(N[6,6]C[6,6]S)(H)2	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]N)(C[6,6]N[6,6]HH)(H)	N[6,6](C[6,6]C[4,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(SC[6a]OO)	C[6,6](C[4,6,6]C[4,6]2H)(N[6,6]C[6,6]S)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]N)(C[6,6]N[6,6]HH)(H){1|S<4>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[4,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	110.5465	0.082	2	109.7486	5.300	18
466	478	856	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	N[6,6]	4:3:3:1:	4:4:3:4:	4:4:4:	C[4,6,6]-4:N[6,6]-3:C[6a]-3:H-1:	C[4,6]-4:C[6,6]-4:C[4,6]-3:C-4:	C[6,6]-4:C[6,6]-4:S-4:	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]S)(C[6a]C[6a]2)(H)	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]N[6,6]C[6a]H)(C[4,6]C[4,6,6]N)(CCHH)	N[6,6](C[6,6]C[4,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(SC[6a]OO)	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]N[6,6]C[6a]H)(C[4,6]C[4,6,6]N)(CCHH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	N[6,6](C[6,6]C[4,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	110.5465	0.082	2	109.7486	5.300	18
466	478	856	6:SP3_SP3_SP3	C[6,6]	C[4,6,6]	N[6]	4:3:3:4:	4:4:3:1:	4:4:4:	C[4,6,6]-4:C[6]-3:N[6]-3:C-4:	C[4,6]-4:C[6,6]-4:C[4,6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]H)(N[6]C[6]S)(CH3)	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6]N[6]C)(C[4,6]C[4]C[6])(H)	N[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6]N[6]C)(C[4,6]C[4]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,4|H<1>}	N[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	103.6990	0.000	1	103.6990	0.000	1	103.6990	0.000	1	103.6990	0.000	1	103.6990	0.000	1	109.7486	5.300	18
466	478	856	6:SP3_SP3_SP3	C[6]	C[4,6,6]	N[6]	4:3:1:1:	4:4:4:4:	4:4:4:	C[4,6,6]-4:N[6]-3:H-1:H-1:	C[4,3x6]-4:C[4,6,6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:S-4:	C[6](C[4,6,6]C[4,3x6]C[4,6,6]C)(N[6]C[6]S)(H)2	C[4,6,6](C[4,3x6]C[3x6]C[4,6]H)(C[4,6,6]C[4,6]C[6,6]H)(C[6]N[6]HH)(CH3)	N[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(SC[6a]OO)	C[6](C[4,6,6]C[4,3x6]C[4,6,6]C)(N[6]C[6]S)(H)2{3|C<4>,4|H<1>}	C[4,6,6](C[4,3x6]C[3x6]C[4,6]H)(C[4,6,6]C[4,6]C[6,6]H)(C[6]N[6]HH)(CH3){1|S<4>,2|C<4>,5|H<1>}	N[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(SC[6a]OO){1|H<1>,4|C<4>}	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	109.7486	5.300	18
466	478	856	6:SP3_SP3_SP3	C[6]	C[4,6]	N[6]	4:3:1:1:	3:4:4:1:	4:4:4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	108.1530	0.000	1	109.5185	2.522	6	109.5185	2.522	6	109.5185	2.522	6	109.9559	2.796	13	109.7486	5.300	18
466	478	856	6:SP3_SP3_SP3	C[6]	C[4,6]	N[6]	4:3:1:1:	3:4:4:1:	4:4:4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	109.7916	1.610	5	109.5185	2.522	6	109.5185	2.522	6	109.5185	2.522	6	109.9559	2.796	13	109.7486	5.300	18
466	478	856	6:SP3_SP3_SP3	C[6]	C[4,6]	N[6]	4:3:1:1:	4:3:4:1:	3:4:4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[4]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2	C[4,6](C[4,6]C[6,6a]C[3,4]C[6a])(C[4]C[3,4]C)(C[6]N[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2{1|C<4>,4|C<3>}	C[4,6](C[4,6]C[6,6a]C[3,4]C[6a])(C[4]C[3,4]C)(C[6]N[6]HH)(H){1|S<4>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	112.1110	0.498	2	112.1110	0.248	2	112.1110	0.248	2	112.1110	0.248	2	109.9559	2.796	13	109.7486	5.300	18
466	478	856	6:SP3_SP3_SP3	C[6]	C[4,6]	N[6]	4:3:1:1:	4:3:4:1:	4:4:4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4]-4:C[4,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[4,6](C[4]C[6a]C[4]H)(C[4,6]C[4]C[6])(C[6]N[6]HH)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4]C[6a]C[4]H)(C[4,6]C[4]C[6])(C[6]N[6]HH)(H){1|O<2>,1|S<4>,2|C<4>,3|C<3>}	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	108.4080	0.173	2	108.4080	0.030	2	108.4080	0.030	2	108.4080	0.030	2	109.9559	2.796	13	109.7486	5.300	18
466	478	856	6:SP3_SP3_SP3	C[6]	C[4,6]	N[6]	4:3:1:1:	4:4:3:1:	4:4:4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[6]N[4]C)(C[6]N[6]HH)(C[4]N[4]O)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[6]N[4]C)(C[6]N[6]HH)(C[4]N[4]O)(H){1|S<4>,2|C<4>,2|H<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	109.8680	0.000	1	109.8680	0.000	1	109.8680	0.000	1	109.8680	0.000	1	109.9559	2.796	13	109.7486	5.300	18
466	478	856	6:SP3_SP3_SP3	C[6]	C[4,6]	N[6]	4:3:1:1:	4:4:4:1:	4:2:3:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:	C[6](C[4,6]C[4,6]C[4]H)(N[6]O[6]C)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]N[6]HH)(H)	N[6](C[6]C[4,6]HH)(O[6]C[6])(COO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]O[6]C)(H)2{1|H<1>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[4,6]HH)(O[6]C[6])(COO){2|C<4>,3|H<1>}	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	109.9559	2.796	13	109.7486	5.300	18
466	478	856	6:SP3_SP3_SP3	C[6]	C[4,6]	N[6]	4:3:1:1:	4:4:4:1:	4:4:4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|H<1>,3|C<4>}	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	109.9559	2.796	13	109.7486	5.300	18
466	478	863	0:SP3_SP2_SP3	C[6]	C[4,6]	O	4:4:1:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:H-1:O-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)(O)	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]CH)(C[6]C[6]HO)(OH)	O(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)(O){1|O<2>,2|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]CH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[4,6]C[6]H)	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1
466	478	893	0:SP3_SP2_SP3	C[6,6]	C[4,5,6,6]	O	4:4:2:1:	4:4:4:3:	4:3:	C[4,5,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:C-3:	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H)	C[4,5,6,6](C[4,5,6]C[4,5,6,6]C[5]H)2(C[6,6]C[6,6]HO)(C[5]C[5]O)	O(C[6,6]C[4,5,6,6]C[6,6]H)(CC[6a]O)	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H){1|O<1>,3|H<1>,5|C<4>}	C[4,5,6,6](C[4,5,6]C[4,5,6,6]C[5]H)2(C[6,6]C[6,6]HO)(C[5]C[5]O){2|C<4>,9|H<1>}	O(C[6,6]C[4,5,6,6]C[6,6]H)(CC[6a]O)	105.1460	0.000	1	105.1460	0.000	1	105.1460	0.000	1	105.1460	0.000	1	105.1460	0.000	1	108.5008	4.651	16
466	478	893	0:SP3_SP2_SP3	C[6,6]	C[4,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(CC[6a]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,3|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(CC[6a]O)	108.0366	2.010	7	108.0366	4.042	7	108.0366	4.042	7	108.7826	5.233	9	108.7826	5.233	9	108.5008	4.651	16
466	478	893	0:SP3_SP2_SP3	C[6,6]	C[4,6,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6a]-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,3|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)	111.3935	0.291	2	111.3935	0.084	2	111.3935	0.084	2	108.7826	5.233	9	108.7826	5.233	9	108.5008	4.651	16
466	478	893	0:SP3_SP2_SP3	C[6]	C[4,6]	O	4:4:2:1:	4:4:3:1:	4:3:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:C-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	C[4,6](C[4,6]C[4]O[6]H)(C[6]C[6]HO)(C[4]C[4]O)(H)	O(C[6]C[4,6]C[6]H)(CCO)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]O[6]H)(C[6]C[6]HO)(C[4]C[4]O)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[4,6]C[6]H)(CCO)	108.7785	1.286	2	108.7785	1.654	2	108.7785	1.654	2	108.7785	1.654	2	108.6373	3.164	6	108.5008	4.651	16
466	478	893	0:SP3_SP2_SP3	C[6]	C[4,6]	O	4:4:2:1:	4:4:3:2:	4:3:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:N[4]-3:C-2:	C[6]-4:C-3:	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HO)(N[4]C[4]C)(CC)	O(C[6]C[4,6]C[6]H)(COO)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HO)(N[4]C[4]C)(CC){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6]C[4,6]C[6]H)(COO)	106.7770	0.000	2	106.7770	0.000	2	106.7770	0.000	2	106.7770	0.000	2	108.6373	3.164	6	108.5008	4.651	16
466	478	893	0:SP3_SP2_SP3	C[6]	C[4,6]	O	4:4:2:1:	4:4:4:1:	4:3:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:C-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]ClH)(C[6]C[6]HO)(H)	O(C[6]C[4,6]C[6]H)(CCO)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]ClH)(C[6]C[6]HO)(H){1|Cl<1>,1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[4,6]C[6]H)(CCO)	110.3565	1.136	2	110.3565	1.291	2	110.3565	1.291	2	110.3565	1.291	2	108.6373	3.164	6	108.5008	4.651	16
466	478	893	0:SP3_SP3_SP3	C[3x6]	C[4,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[3x6]-4:C[4,6,6]-4:C[6]-3:O-2:	C[3x6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[3x6]-4:H-1:	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6]O)(OH)	C[4,6,6](C[3x6]C[3x6]C[6]O)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O(C[3x6]C[4,6,6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[3x6]C[3x6]C[6]O)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[3x6]C[4,6,6]C[3x6]C[6])(H)	113.0590	0.000	1	113.0590	0.000	1	113.0590	0.000	1	113.0590	0.000	1	113.0590	0.000	1	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O	4:3:2:1:	4:4:4:1:	4:1:	C[4,6,6]-4:C[6,6]-3:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(OH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(OH)(H){2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<3>,2|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	109.7217	0.448	3	109.7217	0.201	3	109.7217	0.201	3	109.7217	0.201	3	109.3612	7.294	17	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O	4:3:3:2:	4:4:4:1:	4:1:	C[4,6,6]-4:C[6,6]-3:C-3:O-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(COO)(OH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(COO)(OH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[6,6]C[4,6,6]C[6,6]C)(H)	106.8240	0.000	1	106.8240	0.000	1	106.8240	0.000	1	106.8240	0.000	1	109.3612	7.294	17	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O	4:3:4:2:	4:4:4:1:	4:1:	C[4,6,6]-4:C[6,6]-3:C-4:O-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(CH3)(OH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(CH3)(OH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6,6]C[4,6,6]C[6,6]C)(H)	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	109.3612	7.294	17	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O	4:3:4:2:	4:4:4:1:	4:2:	C[4,6,6]-4:C[6,6]-3:C-4:O-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:O-2:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(CCHH)(OO)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	O(C[6,6]C[4,6,6]C[6,6]C)(OC[6,6])	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(CCHH)(OO){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[6,6]C[4,6,6]C[6,6]C)(OC[6,6])	103.0770	0.000	1	103.0770	0.000	1	103.0770	0.000	1	103.0770	0.000	1	109.3612	7.294	17	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,3|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	112.8120	0.000	1	112.8120	0.000	1	112.0700	1.101	2	112.1564	0.295	5	109.3612	7.294	17	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	C[4,6,6](C[4,6]C[4,6,6]CH)(C[4,6]C[4,6,6]CO)(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CH)(C[4,6]C[4,6,6]CO)(C[6,6]C[6,6]HO)(H){1|C<4>,3|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	111.3280	0.000	1	111.3280	0.000	1	112.0700	1.101	2	112.1564	0.295	5	109.3612	7.294	17	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	112.0560	0.000	1	112.0560	0.000	1	112.2140	0.027	3	112.1564	0.295	5	109.3612	7.294	17	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	112.2010	0.000	1	112.2930	0.017	2	112.2140	0.027	3	112.1564	0.295	5	109.3612	7.294	17	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){5|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<4>,2|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	112.3850	0.000	1	112.2930	0.017	2	112.2140	0.027	3	112.1564	0.295	5	109.3612	7.294	17	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O	4:4:2:2:	4:4:2:1:	4:4:	C[4,6,6]-4:C[5,6,6]-4:O-2:O-2:	C[4,6]-4:C[6,6]-4:O[4,6]-2:H-1:	C[6,6]-4:C-4:	C[6,6](C[4,6,6]C[4,6]O[4,6]H)(C[5,6,6]C[5,4x6]O[5]H)(OC)2	C[4,6,6](C[4,6]C[4,4x6]HH)(C[6,6]C[5,6,6]OO)(O[4,6]C[4,4x6])(H)	O(C[6,6]C[4,6,6]C[5,6,6]O)(CH3)	C[6,6](C[4,6,6]C[4,6]O[4,6]H)(C[5,6,6]C[5,4x6]O[5]H)(OC)2{2|C<3>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,4x6]HH)(C[6,6]C[5,6,6]OO)(O[4,6]C[4,4x6])(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6,6]C[4,6,6]C[5,6,6]O)(CH3)	108.0100	4.599	2	108.0100	21.151	2	108.0100	21.151	2	108.0100	21.151	2	109.3612	7.294	17	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,3|H<1>}	O(C[6,6]C[4,6,6]C[6,6]C)(H)	108.5703	0.784	3	108.5703	0.614	3	108.8137	0.646	4	108.8137	0.646	4	109.3612	7.294	17	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6,6]C[4,6,6]C[6,6]C)(H)	109.5440	0.000	1	109.5440	0.000	1	108.8137	0.646	4	108.8137	0.646	4	109.3612	7.294	17	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6,6]	C[4,6]	O	4:4:3:2:	4:4:3:4:	4:1:	C[4,6]-4:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[4,6]-4:C[4]-3:C-4:	C[6,6]-4:H-1:	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH)	C[4,6](C[6,6]C[6,6]C[6]O)(C[4,6]C[6]O[4]H)(C[4]O[4]O)(CH3)	O(C[6,6]C[4,6]C[6,6]C[6])(H)	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[4,6](C[6,6]C[6,6]C[6]O)(C[4,6]C[6]O[4]H)(C[4]O[4]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	O(C[6,6]C[4,6]C[6,6]C[6])(H)	103.0120	0.000	1	103.0120	0.000	1	103.0120	0.000	1	103.0120	0.000	1	103.0120	0.000	1	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6]	C[4,6,6]	O	4:4:2:1:	4:4:4:3:	4:1:	C[4,6,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H)	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6]C[6]HO)(C[6]C[6]O)	O(C[6]C[4,6,6]C[6]H)(H)	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,4|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6]C[6]HO)(C[6]C[6]O){10|H<1>,2|C<4>}	O(C[6]C[4,6,6]C[6]H)(H)	110.5040	0.000	1	110.5040	0.000	1	110.5040	0.000	1	110.5040	0.000	1	110.5040	0.000	1	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6]	C[4,6]	O	4:4:2:1:	4:4:2:1:	4:4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6]-4:C-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H)	C[4,6](C[4,6]C[4]O[6]H)(C[6]C[6]HO)(O[4]C[4])(H)	O(C[6]C[4,6]C[6]H)(CC[6a]HH)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[4,6](C[4,6]C[4]O[6]H)(C[6]C[6]HO)(O[4]C[4])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[4,6]C[6]H)(CC[6a]HH)	111.5733	0.222	4	111.5733	0.049	4	111.5733	0.049	4	111.5733	0.049	4	110.0308	3.545	18	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6]	C[4,6]	O	4:4:2:1:	4:4:3:2:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:N[4]-3:C-2:	C[6]-4:H-1:	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HO)(N[4]C[4]C)(CC)	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HO)(N[4]C[4]C)(CC){1|O<1>,1|O<2>,4|H<1>}	O(C[6]C[4,6]C[6]H)(H)	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	110.0308	3.545	18	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6]	C[4,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4,6]-4:C[5,6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:C[4]-4:H-1:	C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H)	C[4,6](C[4,6]C[4]C[6]C)(C[6]C[5,6]HO)(C[4]C[4]HO)(H)	O(C[6]C[4,6]C[5,6]H)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H){1|O<2>,4|H<1>,5|C<4>}	C[4,6](C[4,6]C[4]C[6]C)(C[6]C[5,6]HO)(C[4]C[4]HO)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[4,6]C[5,6]H)(H)	110.3990	0.000	1	110.3990	0.000	1	110.3990	0.000	1	109.7668	4.489	5	110.0308	3.545	18	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6]	C[4,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H)	C[4,6](C[4,5,6]C[5,6]C[4]C[5])(C[4]C[4]HH)(C[6]C[6]HO)(H)	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	C[4,6](C[4,5,6]C[5,6]C[4]C[5])(C[4]C[4]HH)(C[6]C[6]HO)(H){1|O<2>,3|H<1>,6|C<4>}	O(C[6]C[4,6]C[6]H)(H)	111.2690	0.000	1	111.2690	0.000	1	111.2690	0.000	1	109.7668	4.489	5	110.0308	3.545	18	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6]	C[4,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H)	C[4,6](C[4,5]C[4,5,5]C[5]C)(C[4,6]C[4,5,5]C[6]H)(C[6]C[6]HO)(H)	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[4,6](C[4,5]C[4,5,5]C[5]C)(C[4,6]C[4,5,5]C[6]H)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[4,6]C[6]H)(H)	106.7710	0.000	1	106.7710	0.000	1	106.7710	0.000	1	109.7668	4.489	5	110.0308	3.545	18	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6]	C[4,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]C[6]HO)(H)	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[4,6]C[6]H)(H)	110.1975	2.440	2	110.1975	5.955	2	110.1975	5.955	2	109.7668	4.489	5	110.0308	3.545	18	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6]	C[4,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H)	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HO)(OH)	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[4,6]C[6]H)(H)	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	109.8287	4.314	7	110.0308	3.545	18	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6]	C[4,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]O[6]H)(C[6]C[6]HO)(OH)	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]O[6]H)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[4,6]C[6]H)(H)	110.2410	0.000	1	110.2410	0.000	1	108.8370	4.214	3	109.8287	4.314	7	110.0308	3.545	18	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6]	C[4,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HO)(OH)	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[4,6]C[6]H)(H)	108.1350	2.339	2	108.1350	5.471	2	108.8370	4.214	3	109.8287	4.314	7	110.0308	3.545	18	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6]	C[4,6]	O	4:4:2:1:	4:4:4:2:	4:1:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H)	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]CH)(C[6]C[6]HO)(OH)	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]CH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[4,6]C[6]H)(H)	111.5533	0.611	3	111.5533	0.373	3	111.5533	0.373	3	109.8287	4.314	7	110.0308	3.545	18	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6]	C[4,6]	O	4:4:2:1:	4:4:4:2:	4:4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:O-2:	C[6]-4:S-4:	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H)	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HO)(OS)	O(C[6]C[4,6]C[6]H)(SCOO)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H){3|C<4>,4|H<1>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HO)(OS){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[6]C[4,6]C[6]H)(SCOO)	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	110.0308	3.545	18	109.6100	6.129	40
466	478	893	0:SP3_SP3_SP3	C[6]	C[4]	O	4:4:4:2:	4:4:3:1:	4:1:	C[4]-4:C[6]-4:C[6]-4:O-2:	C[4]-4:C[6]-4:S[4]-3:H-1:	C[6]-4:H-1:	C[6](C[4]C[4]S[4]H)(C[6]C[6]HH)2(OH)	C[4](C[4]C[4]HH)(C[6]C[6]2O)(S[4]C[4]O)(H)	O(C[6]C[4]C[6]2)(H)	C[6](C[4]C[4]S[4]H)(C[6]C[6]HH)2(OH){1|O<1>,2|C<4>,6|H<1>}	C[4](C[4]C[4]HH)(C[6]C[6]2O)(S[4]C[4]O)(H){3|C<4>,5|H<1>}	O(C[6]C[4]C[6]2)(H)	109.0650	0.997	2	109.0650	0.994	2	109.0650	0.994	2	109.0650	0.994	2	109.0650	0.994	2	109.6100	6.129	40
466	478	914	0:SP3_SP2_SP3	C[6]	C[4]	N[6]	4:3:2:1:	4:3:2:1:	4:3:	C[4]-4:C[6]-3:N[6]-2:H-1:	C[6]-4:C[4]-3:S[4]-2:H-1:	C[6]-4:C[6]-3:	C[6](C[4]C[4]S[4]H)(C[6]C[6a]N[6])(N[6]C[6])(H)	C[4](C[6]C[6]N[6]H)(C[4]C[4]O)(S[4]C[4])(H)	N[6](C[6]C[4]C[6]H)(C[6]C[6a]N[6])	C[6](C[4]C[4]S[4]H)(C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,1|O<1>,4|C<3>}	C[4](C[6]C[6]N[6]H)(C[4]C[4]O)(S[4]C[4])(H){1|N<2>,3|C<3>}	N[6](C[6]C[4]C[6]H)(C[6]C[6a]N[6]){1|S<2>,2|H<1>,2|N<2>,3|C<3>}	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1
466	478	914	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	N[6,6]	4:4:2:1:	4:4:4:1:	4:2:	C[4,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[4,6,6]-4:C[3x6]-4:C[4,4]-4:H-1:	C[3x6]-4:N[6,6]-2:	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H)	C[4,6,6](C[4,6,6]C[3x6]C[4,4]H)(C[3x6]C[6,6]N[6,6]H)(C[4,4]C[4,4]C[4,5]H)(H)	N[6,6](C[3x6]C[4,6,6]C[6,6]H)(N[6,6]C[3x6])	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6,6]C[3x6]C[4,4]H)(C[3x6]C[6,6]N[6,6]H)(C[4,4]C[4,4]C[4,5]H)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[4,6,6]C[6,6]H)(N[6,6]C[3x6]){3|C<4>,4|H<1>}	106.6350	0.000	1	106.0240	0.747	2	106.0240	0.747	2	106.0240	0.747	2	106.0240	0.747	2	106.0240	0.747	2
466	478	914	6:SP3_SP2_SP3	C[3x6]	C[4,6,6]	N[6,6]	4:4:2:1:	4:4:4:1:	4:2:	C[4,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[4,6,6]-4:C[3x6]-4:C[4,4]-4:H-1:	C[3x6]-4:N[6,6]-2:	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H)	C[4,6,6](C[4,6,6]C[3x6]C[4,4]H)(C[3x6]C[6,6]N[6,6]H)(C[4,4]C[4,4]C[4,5]H)(H)	N[6,6](C[3x6]C[4,6,6]C[6,6]H)(N[6,6]C[3x6])	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6,6]C[3x6]C[4,4]H)(C[3x6]C[6,6]N[6,6]H)(C[4,4]C[4,4]C[4,5]H)(H){1|N<2>,3|C<4>,5|H<1>}	N[6,6](C[3x6]C[4,6,6]C[6,6]H)(N[6,6]C[3x6]){3|C<4>,4|H<1>}	105.4130	0.000	1	106.0240	0.747	2	106.0240	0.747	2	106.0240	0.747	2	106.0240	0.747	2	106.0240	0.747	2
466	478	924	0:SP3_SP-NON_SP3	C[6]	C[4,6]	Br	4:4:1:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:Br-1:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(Br)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]BrH)(O[4]C[4])(H)	Br(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]BrH)(O[4]C[4])(H){1|C<3>,1|O<1>,3|H<1>}	Br(C[6]C[4,6]C[6]H)	105.8570	0.000	1	105.8570	0.000	1	105.8570	0.000	1	105.8570	0.000	1	105.8570	0.000	1	105.8570	0.000	1
466	478	930	0:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C	4:3:3:2:	4:4:4:1:	4:2:1:	C[4,6,6]-4:C[6,6]-3:C-3:O-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(COO)(OH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(OH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(COO)(OH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6,6]C[4,6,6]C[6,6]O)(OH)(O)	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	113.1770	0.000	1	112.3270	4.966	5	111.2777	8.858	8
466	478	930	0:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C	4:4:3:2:	4:4:4:1:	4:1:1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(O)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,3|H<1>}	C(C[6,6]C[4,6,6]C[6,6]O)(O)2	113.3220	0.000	1	113.3220	0.000	1	113.3220	0.000	1	113.3220	0.000	1	112.3270	4.966	5	111.2777	8.858	8
466	478	930	0:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C	4:4:3:2:	4:4:4:1:	4:2:1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(OH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,3|H<1>}	C(C[6,6]C[4,6,6]C[6,6]O)(OH)(O)	113.3905	0.334	2	113.3905	0.112	2	113.3905	0.112	2	113.3905	0.112	2	112.3270	4.966	5	111.2777	8.858	8
466	478	930	0:SP3_SP2_SP3	C[6,6]	C[4,6,6]	C	4:4:3:2:	4:4:4:1:	4:4:1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-4:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]HH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]HH)(O)	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	108.3550	0.000	1	112.3270	4.966	5	111.2777	8.858	8
466	478	930	0:SP3_SP2_SP3	C[6]	C[4,6]	C	4:4:4:3:	4:3:4:2:	4:2:1:	C[4,6]-4:C[6]-4:C-4:C-3:	C[3,4,6]-4:C[4,6]-3:C[6]-4:O-2:	C[6]-4:O-2:O-1:	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(CH3)(COO)	C[4,6](C[3,4,6]C[3,6]C[4,6]C[3])(C[4,6]C[4,6]C[6])(C[6]C[6]CC)(OH)	C(C[6]C[4,6]C[6]C)(OC)(O)	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(CH3)(COO){1|C<3>,2|H<1>,3|C<4>}	C[4,6](C[3,4,6]C[3,6]C[4,6]C[3])(C[4,6]C[4,6]C[6])(C[6]C[6]CC)(OH){1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[4,6]C[6]C)(OC)(O)	107.4120	0.758	2	107.4120	0.575	2	107.4120	0.575	2	107.4120	0.575	2	109.5290	13.732	3	111.2777	8.858	8
466	478	930	0:SP3_SP2_SP3	C[6]	C[4,6]	C	4:4:4:3:	4:4:3:1:	4:3:1:	C[4,6]-4:C[6]-4:C-4:C-3:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH)	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]C[6]CC)(C[4]C[4]O)(H)	C(C[6]C[4,6]C[6]C)(CCH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]C[6]CC)(C[4]C[4]O)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[4,6]C[6]C)(CCH)(H)	113.7630	0.000	1	113.7630	0.000	1	113.7630	0.000	1	113.7630	0.000	1	109.5290	13.732	3	111.2777	8.858	8
466	478	941	0:SP3_SP2_SP3	C[6,6]	C[4,6,6]	N	4:4:4:2:	4:4:4:1:	4:3:	C[4,6,6]-4:C[6,6]-4:C-4:N-2:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NC)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CN)(H)	N(C[6,6]C[4,6,6]C[6,6]C)(COO)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NC){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CN)(H){1|C<4>,3|H<1>}	N(C[6,6]C[4,6,6]C[6,6]C)(COO)	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,3x6]-4:C[4x6]-4:H-1:H-1:	C[4,3x6]-4:C[4,6]-4:C[3x6]-4:F-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,3x6]C[4,6]F)(C[4x6]C[3x6]C[6,6]H)(H)2	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]F)(C[4,6]C[4,3x6]OO)(C[3x6]C[4x6]HH)(F)	H(C[3x6]C[4,3x6]C[4x6]H)	C[3x6](C[4,3x6]C[4,3x6]C[4,6]F)(C[4x6]C[3x6]C[6,6]H)(H)2{1|C<3>,1|C<4>,2|F<1>,2|H<1>,2|O<2>}	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]F)(C[4,6]C[4,3x6]OO)(C[3x6]C[4x6]HH)(F){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	H(C[3x6]C[4,3x6]C[4x6]H)	110.2470	0.858	4	110.2470	0.736	4	110.2470	0.736	4	110.6220	1.228	6	109.3307	3.262	15	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,3x6]-4:C[4x6]-4:H-1:H-1:	C[4,3x6]-4:C[4,6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[4x6]C[3x6]C[6,6]F)(H)2	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]F)(C[4,6]C[4,3x6]HH)(C[3x6]C[4x6]HH)(H)	H(C[3x6]C[4,3x6]C[4x6]H)	C[3x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[4x6]C[3x6]C[6,6]F)(H)2{1|C<3>,1|C<4>,1|O<1>,2|F<1>,2|H<1>}	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]F)(C[4,6]C[4,3x6]HH)(C[3x6]C[4x6]HH)(H){2|F<1>,3|C<3>}	H(C[3x6]C[4,3x6]C[4x6]H)	111.3720	1.498	2	111.3720	2.243	2	111.3720	2.243	2	110.6220	1.228	6	109.3307	3.262	15	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,3x6]	H	4:4:3:1:	4:4:4:3:	4:	C[4,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4,3x6]-4:C[3,4]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,3x6]C[3,4]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[4,3x6](C[4,3x6]C[3,4]C[3x6]C[6])(C[3,4]C[3,4]C[3]2)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)	H(C[3x6]C[4,3x6]C[6,6]2)	C[3x6](C[4,3x6]C[4,3x6]C[3,4]C[6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[4,3x6](C[4,3x6]C[3,4]C[3x6]C[6])(C[3,4]C[3,4]C[3]2)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O){1|O<1>,3|C<3>,3|C<4>,8|H<1>}	H(C[3x6]C[4,3x6]C[6,6]2)	111.1455	0.011	2	111.1455	0.000	2	111.1455	0.000	2	111.1455	0.000	2	109.3307	3.262	15	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,3x6]	H	4:4:4:1:	3:4:4:4:	4:	C[4,3x6]-4:C[3x6]-4:C[6]-4:H-1:	C[4,6,6]-3:C[3x6]-4:C[4,6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[3x6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)	C[4,3x6](C[4,6,6]C[4,6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH)	H(C[3x6]C[4,3x6]C[3x6]C[6])	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[3x6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,9|H<1>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	H(C[3x6]C[4,3x6]C[3x6]C[6])	106.4820	0.096	2	106.4820	0.009	2	106.4820	0.009	2	106.4820	0.009	2	109.3307	3.262	15	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4,5,6]-4:C[4,6,6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,5,6]C[4,6,6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)(H)	C[4,3x6](C[4,5,6]C[4,5,6,6]C[5]C)(C[4,6,6]C[4,5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(H)	H(C[3x6]C[4,3x6]C[6,6]C[6])	C[3x6](C[4,3x6]C[4,5,6]C[4,6,6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[4,3x6](C[4,5,6]C[4,5,6,6]C[5]C)(C[4,6,6]C[4,5,6,6]C[6]H)(C[3x6]C[6,6]C[6]H)(H){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(C[3x6]C[4,3x6]C[6,6]C[6])	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	108.4110	0.018	2	109.3307	3.262	15	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4,6,6]-4:C[3x6]-4:C[4,6]-4:H-1:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[4,3x6](C[4,6,6]C[4,6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[4,6]C[4,6,6]HH)(H)	H(C[3x6]C[4,3x6]C[6,6]C[6])	C[3x6](C[4,3x6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){1|S<4>,3|C<4>,4|H<1>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6]C)(C[3x6]C[6,6]C[6]H)(C[4,6]C[4,6,6]HH)(H){1|C<4>,1|N<3>,7|H<1>}	H(C[3x6]C[4,3x6]C[6,6]C[6])	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	108.4110	0.018	2	109.3307	3.262	15	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4,6,6]-4:C[4,6]-4:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[3x6]C[6,6]C[6]H)(CCHH)	H(C[3x6]C[4,3x6]C[6,6]C[6])	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[3x6]C[6,6]C[6]H)(CCHH){2|C<3>,2|C<4>,7|H<1>}	H(C[3x6]C[4,3x6]C[6,6]C[6])	108.0070	0.247	2	108.0070	0.061	2	108.0503	0.036	3	108.0503	0.036	3	109.3307	3.262	15	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[4,6,6]-4:C[4,6]-4:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[3x6]C[6,6]C[6]H)(CH3)	H(C[3x6]C[4,3x6]C[6,6]C[6])	C[3x6](C[4,3x6]C[4,6,6]C[4,6]C)(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[3x6]C[6,6]C[6]H)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(C[3x6]C[4,3x6]C[6,6]C[6])	108.1370	0.000	1	108.1370	0.000	1	108.0503	0.036	3	108.0503	0.036	3	109.3307	3.262	15	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,5,3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H)	H(C[3x6]C[4,5,3x6]C[6,6]2)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H){1|C<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[4,5,3x6]C[6,6]2)	111.8100	0.151	2	111.8663	0.021	3	111.3296	0.555	5	111.3296	0.555	5	111.3798	0.227	12	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,5,3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H)	H(C[3x6]C[4,5,3x6]C[6,6]2)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,6|H<1>}	H(C[3x6]C[4,5,3x6]C[6,6]2)	111.9790	0.000	1	111.8663	0.021	3	111.3296	0.555	5	111.3296	0.555	5	111.3798	0.227	12	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,5,3x6]	H	4:4:3:1:	4:4:3:4:	4:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H)	H(C[3x6]C[4,5,3x6]C[6,6]2)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[3x6]C[6,6]2H){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	H(C[3x6]C[4,5,3x6]C[6,6]2)	110.5245	0.138	2	110.5245	0.019	2	111.3296	0.555	5	111.3296	0.555	5	111.3798	0.227	12	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,5,3x6]	H	4:4:3:1:	4:4:4:2:	4:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,5,6]-4:C[3x6]-4:O[5,6]-2:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[3x6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x6]C[3x6]C[6,6]H)(O[5,6]C[5,5,6,6])	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[3x6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x6]C[3x6]C[6,6]H)(O[5,6]C[5,5,6,6]){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	111.4964	0.027	5	111.3798	0.227	12	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,5,3x6]	H	4:4:3:1:	4:4:4:2:	4:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[3x6]-4:O[5,6]-2:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]C[6,6]H)(O[5,6]C[5,3x6])	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,6,6]C[3x6]H)(C[6,6]C[6,6]H)(H){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]C[6,6]H)(O[5,6]C[5,3x6]){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	111.5130	0.000	1	111.5130	0.000	1	111.5130	0.000	1	111.4964	0.027	5	111.3798	0.227	12	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,5,3x6]	H	4:4:3:1:	4:4:4:2:	4:	C[4,5,3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[3x6]-4:O[5,6]-2:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O[5,6]C[5,3x6])	H(C[3x6]C[4,5,3x6]C[6,6]2)	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O[5,6]C[5,3x6]){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	H(C[3x6]C[4,5,3x6]C[6,6]2)	111.5590	0.162	3	111.5590	0.026	3	111.5590	0.026	3	111.4964	0.027	5	111.3798	0.227	12	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,5,3x6]	H	4:4:3:1:	4:4:4:3:	4:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,5,6]-4:C[3x6]-4:C[5,6]-3:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,5,6,6]O)	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,5,6,6]O){2|C<3>,4|C<4>,6|H<1>}	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	111.2140	0.029	2	111.3798	0.227	12	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,5,3x6]	H	4:4:3:1:	4:4:4:3:	4:	C[4,5,3x6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[3x6]-4:C[5,6]-3:	C[3x6]-4:	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,3x6]O)	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	C[3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]C[6,6]H)(C[5,6]C[5,3x6]O){1|C<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[4,5,3x6]C[3x6]C[6,6])	111.3340	0.000	1	111.3340	0.000	1	111.3340	0.000	1	111.2140	0.029	2	111.3798	0.227	12	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,5,6,6]	H	4:3:3:1:	4:4:4:3:	4:	C[4,5,6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[4,5,6,6]-4:C[3x6]-4:C[5]-4:C[4]-3:	C[3x6]-4:	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[4,5,6,6](C[4,5,6,6]C[3x6]C[4]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]HH)(C[4]C[4]C)	H(C[3x6]C[4,5,6,6]C[6,6]2)	C[3x6](C[4,5,6,6]C[4,5,6,6]C[4]C[5])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	C[4,5,6,6](C[4,5,6,6]C[3x6]C[4]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]HH)(C[4]C[4]C){2|C<2>,2|C<3>,6|H<1>}	H(C[3x6]C[4,5,6,6]C[6,6]2)	113.1865	0.206	2	113.1865	0.042	2	113.1865	0.042	2	113.1865	0.042	2	109.7180	16.076	4	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:2:4:	4:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:O[5,6]-2:C[3x6]-4:	C[3x6]-4:	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(O[5,6]C[5,5,6,6])(C[3x6]C[3x6]2H)	H(C[3x6]C[4,5,6,6]C[3x6]2)	C[3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(O[5,6]C[5,5,6,6])(C[3x6]C[3x6]2H){1|O<1>,2|C<3>,5|C<4>,6|H<1>}	H(C[3x6]C[4,5,6,6]C[3x6]2)	106.0700	0.000	1	106.0700	0.000	1	106.0700	0.000	1	106.0700	0.000	1	109.7180	16.076	4	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[4,5,6,6]-4:C[3x6]-4:C[3x6]-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[3x6]-4:O[5,6]-2:	C[3x6]-4:	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]2H)(O[5,6]C[5,3x6])	H(C[3x6]C[4,5,6,6]C[3x6]2)	C[3x6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3x6]C[4,5,3x6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(H){1|O<2>,3|C<3>,4|H<1>,5|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x6]C[3x6]2H)(O[5,6]C[5,3x6]){1|O<1>,2|C<3>,5|C<4>,6|H<1>}	H(C[3x6]C[4,5,6,6]C[3x6]2)	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	106.4290	0.000	1	109.7180	16.076	4	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2H)(H)	C[4,6,6](C[4,6,6]C[4,6,6]C[3x6]C)(C[4,6,6]C[4,6,6]C[3x6]H)(C[3x6]C[6,6,6a]2H)(H)	H(C[3x6]C[6,6,6a]2C[4,6,6])	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[4,6,6](C[4,6,6]C[4,6,6]C[3x6]C)(C[4,6,6]C[4,6,6]C[3x6]H)(C[3x6]C[6,6,6a]2H)(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[4,6,6])	111.8220	0.174	2	111.8220	0.030	2	111.8220	0.030	2	111.8220	0.030	2	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	3:3:4:1:	4:4:4:2:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[3x6]-4:C-2:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2C)(H)	C[4,6,6](C[4,6,6]C[4,6,6]C[3x6]C)(C[4,6,6]C[4,6,6]C[3x6]H)(C[3x6]C[6,6,6a]2H)(CN)	H(C[3x6]C[6,6,6a]2C[4,6,6])	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[4,6,6](C[4,6,6]C[4,6,6]C[3x6]C)(C[4,6,6]C[4,6,6]C[3x6]H)(C[3x6]C[6,6,6a]2H)(CN){1|C<4>,3|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[4,6,6])	112.5570	0.283	2	112.5570	0.080	2	112.5570	0.080	2	112.5570	0.080	2	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	3:4:3:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[4,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H)	C[4,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]BrH)(H)	H(C[3x6]C[6,6,6a]C[4,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]BrH)(H){1|Br<1>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[4,6,6]C[6,6])	112.7220	0.212	2	112.7220	0.045	2	112.7220	0.045	2	112.7220	0.045	2	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:3:4:1:	4:4:3:1:	4:	C[4,6,6]-4:C[6,6]-3:C[6,6]-4:H-1:	C[4,6,6]-4:C[3x6]-4:C[4]-3:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[6a]C[4])(H)	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[6a]C[4])(H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[4,6,6]C[6,6]2)	110.8010	0.000	1	110.8010	0.000	1	110.8010	0.000	1	110.8010	0.000	1	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[4,6,6]-4:C[3x6]-4:C[4,4]-4:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H)	C[4,6,6](C[4,6,6]C[3x6]C[4,4]H)(C[3x6]C[6,6]N[6,6]H)(C[4,4]C[4,4]C[4,5]H)(H)	H(C[3x6]C[4,6,6]C[6,6]N[6,6])	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6,6]C[3x6]C[4,4]H)(C[3x6]C[6,6]N[6,6]H)(C[4,4]C[4,4]C[4,5]H)(H){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	H(C[3x6]C[4,6,6]C[6,6]N[6,6])	111.5970	0.000	1	111.4875	0.024	2	111.4875	0.024	2	111.4875	0.024	2	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[4,6,6]-4:C[3x6]-4:C[4,4]-4:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H)	C[4,6,6](C[4,6,6]C[3x6]C[4,4]H)(C[3x6]C[6,6]N[6,6]H)(C[4,4]C[4,4]C[4,5]H)(H)	H(C[3x6]C[4,6,6]C[6,6]N[6,6])	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6,6]C[3x6]C[4,4]H)(C[3x6]C[6,6]N[6,6]H)(C[4,4]C[4,4]C[4,5]H)(H){1|N<2>,3|C<4>,5|H<1>}	H(C[3x6]C[4,6,6]C[6,6]N[6,6])	111.3780	0.000	1	111.4875	0.024	2	111.4875	0.024	2	111.4875	0.024	2	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[4,6,6]-4:C[3x6]-4:C[4]-3:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[4]C)(H)	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[4]C)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H)	C[4,6,6](C[3x6]C[3x6]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CH)(H)	H(C[3x6]C[4,6,6]C[3x6]C[6,6])	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[4,6]H)(C[6,6]C[6,6]H)(H){1|C<3>,5|C<4>,5|H<1>}	C[4,6,6](C[3x6]C[3x6]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[4,6,6]C[3x6]C[6,6])	111.1410	0.000	1	111.1410	0.000	1	111.1365	0.000	2	111.2760	0.570	4	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,6,6]-4:C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H)	C[4,6,6](C[3x6]C[3x6]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CH)(H)	H(C[3x6]C[4,6,6]C[3x6]C[6,6])	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]H)(H){1|C<3>,4|C<4>,5|H<1>}	C[4,6,6](C[3x6]C[3x6]C[6,6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CH)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[4,6,6]C[3x6]C[6,6])	111.1320	0.000	1	111.1320	0.000	1	111.1365	0.000	2	111.2760	0.570	4	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	C[4,6,6](C[3x6]C[5,6,6]C[3x6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CC)(H)	H(C[3x6]C[4,6,6]C[5,6,6]C[3x6])	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>,5|C<4>}	C[4,6,6](C[3x6]C[5,6,6]C[3x6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]CC)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[4,6,6]C[5,6,6]C[3x6])	110.5120	0.000	1	110.5120	0.000	1	111.4155	1.633	2	111.2760	0.570	4	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,6,6]-4:C[5,6,6]-4:C[3x6]-3:H-1:	C[3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H)	C[4,6,6](C[3x6]C[5,6,6]C[3x6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]HH)(H)	H(C[3x6]C[4,6,6]C[5,6,6]C[3x6])	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[5,6,6]C[5]H)(C[3x6]C[3x6]C[6])(H){1|C<3>,1|N<3>,2|O<1>,4|C<4>,4|H<1>}	C[4,6,6](C[3x6]C[5,6,6]C[3x6]H)(C[4,6,6]C[3x6]C[4]H)(C[4]C[4]HH)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[3x6]C[4,6,6]C[5,6,6]C[3x6])	112.3190	0.000	1	112.3190	0.000	1	111.4155	1.633	2	111.2760	0.570	4	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,5,6,6]-4:C[3x6]-4:O[4]-2:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,5,6,6]O[4]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(H)	C[4,6,6](C[4,5,6,6]C[5,3x6]C[4,5]H)(C[3x6]C[6,6]2H)(O[4]C[4,5])(H)	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,5,6,6]O[4]H)(C[6,6]C[5,6,6]CH)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,5,6,6]C[5,3x6]C[4,5]H)(C[3x6]C[6,6]2H)(O[4]C[4,5])(H){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:4:4:1:	4:4:2:2:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:S[4]-2:S[4]-2:	C[3x6]-4:	C[3x6](C[4,6,6]C[3x6]S[4]2)(C[6,6]C[3x6]HH)2(H)	C[4,6,6](C[3x6]C[6,6]2H)2(S[4]C[4,6,6])2	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[3x6]S[4]2)(C[6,6]C[3x6]HH)2(H){3|H<1>,4|C<4>}	C[4,6,6](C[3x6]C[6,6]2H)2(S[4]C[4,6,6])2{4|C<4>,8|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	109.6970	0.072	2	109.6970	0.005	2	109.6970	0.005	2	109.6970	0.005	2	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,3x6]-4:C[3x6]-4:C[4]-4:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H)	C[4,6,6](C[4,3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(C[4]C[4]CH)(H)	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H){3|H<1>,5|C<4>}	C[4,6,6](C[4,3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(C[4]C[4]CH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	111.8690	0.000	1	111.8690	0.000	1	111.4160	0.410	2	111.3010	0.603	4	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,3x6]-4:C[3x6]-4:C[4]-4:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H)	C[4,6,6](C[4,3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(C[4]C[6a]C[4]O)(H)	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,3x6]C[4]H)(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(C[4]C[6a]C[4]O)(H){2|C<3>,3|C<4>,9|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	110.9630	0.000	1	110.9630	0.000	1	111.4160	0.410	2	111.3010	0.603	4	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,6,6]-4:C[3x6]-4:C[4]-4:H-1:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[4]BrH)(H)	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){2|Br<1>,2|C<4>,5|H<1>}	C[4,6,6](C[4,6,6]C[3x6]C[4]H)(C[3x6]C[6,6]2H)(C[4]C[4]BrH)(H){2|Br<1>,2|C<4>,5|H<1>}	H(C[3x6]C[4,6,6]C[6,6]2)	111.1860	1.160	2	111.1860	1.345	2	111.1860	1.345	2	111.3010	0.603	4	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,6,6]-4:C[3x6]-4:C[3x6]-4:O[4]-2:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H)	C[4,6,6](C[4,6,6]C[3x6]2O[4])(C[3x6]C[6,6]2H)2(O[4]O[4])	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[4,6,6](C[4,6,6]C[3x6]2O[4])(C[3x6]C[6,6]2H)2(O[4]O[4]){10|H<1>,6|C<4>}	H(C[3x6]C[4,6,6]C[6,6]2)	109.6470	0.014	2	109.6990	0.006	4	109.6990	0.006	4	109.6990	0.006	4	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[4,6,6]-4:C[3x6]-4:C[3x6]-4:O[4]-2:	C[3x6]-4:	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H)	C[4,6,6](C[4,6,6]C[3x6]2O[4])(C[3x6]C[6,6]2H)2(O[4]O[4])	H(C[3x6]C[4,6,6]C[6,6]2)	C[3x6](C[4,6,6]C[4,6,6]C[3x6]O[4])(C[6,6]C[3x6]HH)2(H){1|O<2>,3|H<1>,5|C<4>}	C[4,6,6](C[4,6,6]C[3x6]2O[4])(C[3x6]C[6,6]2H)2(O[4]O[4]){10|H<1>,6|C<4>}	H(C[3x6]C[4,6,6]C[6,6]2)	109.7510	0.079	2	109.6990	0.006	4	109.6990	0.006	4	109.6990	0.006	4	111.1227	1.122	25	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[3x6]	C[4,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:C[4,6]-4:H-1:	C[4,6]-4:C[3x6]-4:C[4]-4:H-1:	C[3x6]-4:	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[3x6]C[3x6]2H)(C[4]C[4]CH)(H)	H(C[3x6]C[3x6]2C[4,6])	C[3x6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6]C[4]H)(H){2|C<3>,4|C<4>,6|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[3x6]C[3x6]2H)(C[4]C[4]CH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]2C[4,6])	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[4x6]	C[4,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,3x6]-4:C[5x6]-4:C[6,6]-3:H-1:	C[4,3x6]-4:C[4,6,6]-4:C[4x6]-4:H-1:	C[4x6]-4:	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H)	C[4,3x6](C[4,3x6]C[4,4x6]N[6,6]H)(C[4,6,6]C[4,4x6]N[6]H)(C[4x6]C[5x6]C[6,6]H)(H)	H(C[4x6]C[4,3x6]C[5x6]C[6,6])	C[4x6](C[4,3x6]C[4,3x6]C[4,6,6]H)(C[5x6]C[3x6]C[4x6]N)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|N<3>,4|H<1>}	C[4,3x6](C[4,3x6]C[4,4x6]N[6,6]H)(C[4,6,6]C[4,4x6]N[6]H)(C[4x6]C[5x6]C[6,6]H)(H){2|N<3>,3|C<3>,4|C<4>}	H(C[4x6]C[4,3x6]C[5x6]C[6,6])	109.0305	0.107	2	109.0305	0.011	2	109.0305	0.011	2	109.0305	0.011	2	109.5204	0.163	8	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[4x6]	C[4,3x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4,3x6]-4:C[4,6]-4:C[4x6]-4:H-1:	C[4x6]-4:	C[4x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(H)	H(C[4x6]C[4,3x6]C[3x6]C[6,6])	C[4x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(H){2|C<3>,3|C<4>,6|H<1>}	H(C[4x6]C[4,3x6]C[3x6]C[6,6])	109.7537	0.431	3	109.7537	0.186	3	109.7537	0.186	3	109.7537	0.186	3	109.5204	0.163	8	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[4x6]	C[4,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4,3x6]-4:C[4,6]-4:C[4x6]-4:C-4:	C[4x6]-4:	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(CCHH)	H(C[4x6]C[4,3x6]C[3x6]C[6,6])	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(CCHH){2|C<3>,2|C<4>,7|H<1>}	H(C[4x6]C[4,3x6]C[3x6]C[6,6])	109.5010	0.126	2	109.5010	0.016	2	109.6137	0.046	3	109.6137	0.046	3	109.5204	0.163	8	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[4x6]	C[4,3x6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,3x6]-4:C[3x6]-4:C[6,6]-4:H-1:	C[4,3x6]-4:C[4,6]-4:C[4x6]-4:C-4:	C[4x6]-4:	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H)	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(CH3)	H(C[4x6]C[4,3x6]C[3x6]C[6,6])	C[4x6](C[4,3x6]C[4,3x6]C[4,6]C)(C[3x6]C[4x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]H)(C[4,6]C[4,3x6]C[6a]O)(C[4x6]C[3x6]C[6,6]H)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(C[4x6]C[4,3x6]C[3x6]C[6,6])	109.8390	0.000	1	109.8390	0.000	1	109.6137	0.046	3	109.6137	0.046	3	109.5204	0.163	8	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[4x6]	C[4,4x6]	H	4:4:3:1:	4:4:4:3:	4:	C[4,4x6]-4:C[5x6]-4:C[6]-3:H-1:	C[4,3x6]-4:C[4,6,6]-4:C[4x6]-4:N-3:	C[4x6]-4:	C[4x6](C[4,4x6]C[4,3x6]C[4,6,6]N)(C[5x6]C[3x6]C[4x6]N)(C[6]C[6]H)(H)	C[4,4x6](C[4,3x6]C[4,3x6]N[6,6]H)(C[4,6,6]C[4,3x6]N[6]H)(C[4x6]C[5x6]C[6]H)(NOO)	H(C[4x6]C[4,4x6]C[5x6]C[6])	C[4x6](C[4,4x6]C[4,3x6]C[4,6,6]N)(C[5x6]C[3x6]C[4x6]N)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|N<3>,5|H<1>}	C[4,4x6](C[4,3x6]C[4,3x6]N[6,6]H)(C[4,6,6]C[4,3x6]N[6]H)(C[4x6]C[5x6]C[6]H)(NOO){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[4x6]C[4,4x6]C[5x6]C[6])	109.8315	0.111	2	109.8315	0.012	2	109.8315	0.012	2	109.8315	0.012	2	109.8315	0.012	2	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[4,3x6]-4:C[4,3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,3x6]2H)(C[3x6]C[6,6]2H)(H)2	C[4,3x6](C[4,3x6]C[4,6]C[4x6]C)(C[4,3x6]C[4,6]C[4x6]H)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[4,3x6]C[3x6]H)	C[6,6](C[4,3x6]C[4,3x6]2H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,5|H<1>}	C[4,3x6](C[4,3x6]C[4,6]C[4x6]C)(C[4,3x6]C[4,6]C[4x6]H)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[4,3x6]C[3x6]H)	110.0342	0.155	6	110.0342	0.024	6	110.0342	0.024	6	110.1256	0.876	8	109.7687	2.889	19	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,3x6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,3x6]-4:C[6,6]-4:H-1:H-1:	C[4,5,4x6]-4:C[4,4,3x6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,4,3x6]C[4,5,4x6]H)(C[6,6]C[5,5x6]HH)(H)2	C[4,3x6](C[4,5,4x6]C[4,4,5,6,6]C[5,5,4x6]C[6a])(C[4,4,3x6]C[4,4,5,6,6]C[4,5,4x6]H)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,3x6]C[6,6]H)	C[6,6](C[4,3x6]C[4,4,3x6]C[4,5,4x6]H)(C[6,6]C[5,5x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,3x6](C[4,5,4x6]C[4,4,5,6,6]C[5,5,4x6]C[6a])(C[4,4,3x6]C[4,4,5,6,6]C[4,5,4x6]H)(C[6,6]C[6,6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[4,3x6]C[6,6]H)	110.4000	2.411	2	110.4000	5.814	2	110.4000	5.814	2	110.1256	0.876	8	109.7687	2.889	19	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2	C[4,3x6](C[4,6,6]C[3x6]C[4]H)(C[4]C[6a]C[4]O)(C[6,6]C[3x6]HH)2	H(C[6,6]C[4,3x6]C[3x6]H)	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[4,3x6](C[4,6,6]C[3x6]C[4]H)(C[4]C[6a]C[4]O)(C[6,6]C[3x6]HH)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[4,3x6]C[3x6]H)	110.7890	1.993	4	110.7890	3.972	4	110.7890	3.972	4	109.9537	2.486	10	109.7687	2.889	19	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C[6,6]-4:C[4]-4:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2	C[4,3x6](C[4,6,6]C[3x6]C[4]H)(C[6,6]C[3x6]HH)2(C[4]C[4]CH)	H(C[6,6]C[4,3x6]C[3x6]H)	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	C[4,3x6](C[4,6,6]C[3x6]C[4]H)(C[6,6]C[3x6]HH)2(C[4]C[4]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[4,3x6]C[3x6]H)	110.0447	0.506	4	110.0447	0.256	4	110.0447	0.256	4	109.9537	2.486	10	109.7687	2.889	19	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,3x6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6]C[6,6]HH)(H)2	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[4,3x6]C[6,6]H)	C[6,6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[4,3x6]C[6,6]H)	108.1010	0.051	2	108.1010	0.003	2	108.1010	0.003	2	109.9537	2.486	10	109.7687	2.889	19	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[4,3x6]-4:C[6]-4:C[6]-4:H-1:	C[4,6,6]-4:C[6,6]-4:N[6,6]-3:C[4]-4:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[4,3x6](C[4,6,6]C[4]C[6]2)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[4]C[4]HH)	H(C[6,6]C[4,3x6]C[6]2)	C[6,6](C[4,3x6]C[4,6,6]N[6,6]C[4])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<3>,4|C<4>,6|H<1>}	C[4,3x6](C[4,6,6]C[4]C[6]2)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[4]C[4]HH){10|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[4,3x6]C[6]2)	105.0640	0.000	1	105.0640	0.000	1	105.0640	0.000	1	105.0640	0.000	1	109.7687	2.889	19	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,4x6]	H	4:4:3:1:	4:4:4:2:	4:	C[4,4x6]-4:C[6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[4,6]-4:C[6,6]-4:O[4,6]-2:	C[6,6]-4:	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[4,4x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[4,6]C[4,6,6]HH)(C[6,6]C[6]N[6]H)(O[4,6]C[4,6,6])	H(C[6,6]C[4,4x6]C[6]N[6])	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[4,4x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[4,6]C[4,6,6]HH)(C[6,6]C[6]N[6]H)(O[4,6]C[4,6,6]){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[4,4x6]C[6]N[6])	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,5,6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[4,5,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H)	C[4,5,6,6](C[4,5,6]C[4,5,6,6]C[5]H)2(C[6,6]C[6,6]HO)(C[5]C[5]O)	H(C[6,6]C[4,5,6,6]C[6,6]O)	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H){1|O<1>,3|H<1>,5|C<4>}	C[4,5,6,6](C[4,5,6]C[4,5,6,6]C[5]H)2(C[6,6]C[6,6]HO)(C[5]C[5]O){2|C<4>,9|H<1>}	H(C[6,6]C[4,5,6,6]C[6,6]O)	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	109.4615	3.004	2	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,5,6,6]	H	4:4:4:1:	3:4:3:4:	4:	C[4,5,6,6]-4:C[6]-4:C[6]-4:H-1:	N[5,6]-3:C[4,6]-4:N[4,5]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H)	C[4,5,6,6](N[5,6]C[6,6a]C[5])(C[4,6]C[4]C[6]H)(N[4,5]C[4]C[5])(C[6,6]C[6]2H)	H(C[6,6]C[4,5,6,6]C[6]2)	C[6,6](C[4,5,6,6]C[4,6]N[4,5]N[5,6])(C[6]C[6,6a]CO)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[4,5,6,6](N[5,6]C[6,6a]C[5])(C[4,6]C[4]C[6]H)(N[4,5]C[4]C[5])(C[6,6]C[6]2H){1|C<4>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	H(C[6,6]C[4,5,6,6]C[6]2)	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	109.4615	3.004	2	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[6,6]C[6,6,6a]HH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	H(C[6,6]C[6,6,6a]C[4,6,6]H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[4,6,6](C[6,6]C[6,6,6a]HH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|H<1>,2|C<3>}	H(C[6,6]C[6,6,6a]C[4,6,6]H)	110.0861	1.665	24	110.0861	2.773	24	110.2011	2.852	36	110.2011	2.852	36	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	3:4:1:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[6,6]C[6,6,6a]HH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	H(C[6,6]C[6,6,6a]C[4,6,6]H)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]HH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6,6]C[6,6,6a]C[4,6,6]H)	110.4311	1.786	12	110.4311	3.188	12	110.2011	2.852	36	110.2011	2.852	36	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H)	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	H(C[6,6]C[6,6,6a]C[4,6,6]C)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6,6]C[6,6,6a]C[4,6,6]C)	107.6770	0.000	1	107.6770	0.000	1	109.4240	1.808	4	109.4240	1.808	4	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H)	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	H(C[6,6]C[6,6,6a]C[4,6,6]C)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6,6]C[6,6,6a]C[4,6,6]C)	110.3705	0.747	2	110.3705	0.559	2	109.4240	1.808	4	109.4240	1.808	4	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	3:4:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H)	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	H(C[6,6]C[6,6,6a]C[4,6,6]C)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]CH)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6,6]C[6,6,6a]C[4,6,6]C)	109.2780	0.000	1	109.2780	0.000	1	109.4240	1.808	4	109.4240	1.808	4	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:2:1:1:	4:3:4:1:	4:	C[4,6,6]-4:O[6,6]-2:H-1:H-1:	C[4,6]-4:C[4,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]N)(C[6,6]O[6,6]HH)(H)	H(C[6,6]C[4,6,6]O[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]N)(C[6,6]O[6,6]HH)(H){2|C<3>,2|C<4>}	H(C[6,6]C[4,6,6]O[6,6]H)	109.5530	0.020	2	109.5530	0.000	2	109.3719	0.014	8	109.3719	0.014	8	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:2:1:1:	4:3:4:1:	4:	C[4,6,6]-4:O[6,6]-2:H-1:H-1:	C[4,6]-4:C[4,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]O)(C[6,6]O[6,6]HH)(H)	H(C[6,6]C[4,6,6]O[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]O)(C[6,6]O[6,6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6,6]C[4,6,6]O[6,6]H)	109.3330	0.025	2	109.3330	0.001	2	109.3719	0.014	8	109.3719	0.014	8	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:2:1:1:	4:3:4:1:	4:	C[4,6,6]-4:O[6,6]-2:H-1:H-1:	C[4,6]-4:C[4,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2	C[4,6,6](C[4,6]C[4,6,6]HO)(C[4,6]C[4,6,6]O)(C[6,6]O[6,6]HH)(H)	H(C[6,6]C[4,6,6]O[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]HO)(C[4,6]C[4,6,6]O)(C[6,6]O[6,6]HH)(H){1|C<4>,1|H<1>}	H(C[6,6]C[4,6,6]O[6,6]H)	109.3007	0.053	4	109.3007	0.003	4	109.3719	0.014	8	109.3719	0.014	8	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:2:4:1:	4:4:3:1:	4:	C[4,6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[4,6]-4:C[6,6]-4:C[4,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(C[6]S[6]2H)(H)	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]O[6,6]C[6]H)(C[4,6]C[4,6,6]O)(H)	H(C[6,6]C[4,6,6]O[6,6]C[6])	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(C[6]S[6]2H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]O[6,6]C[6]H)(C[4,6]C[4,6,6]O)(H){1|C<4>,2|C<3>,2|H<1>,2|S<2>}	H(C[6,6]C[4,6,6]O[6,6]C[6])	108.3390	0.000	1	108.3390	0.000	1	108.3390	0.000	1	108.3390	0.000	1	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:2:4:1:	4:4:3:4:	4:	C[4,6,6]-4:O[6,6]-2:C[6]-4:H-1:	C[4,6]-4:C[6,6]-4:C[4,6]-3:C-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2C)(O[6,6]C[6,6])(C[6]C[6]2H)(H)	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]O[6,6]C[6]H)(C[4,6]C[4,6,6]N)(CCHH)	H(C[6,6]C[4,6,6]O[6,6]C[6])	C[6,6](C[4,6,6]C[4,6]2C)(O[6,6]C[6,6])(C[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,7|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]O[6,6]C[6]H)(C[4,6]C[4,6,6]N)(CCHH){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]O[6,6]C[6])	108.0160	0.000	1	108.0160	0.000	1	108.0160	0.000	1	108.0160	0.000	1	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:3:4:1:	4:	C[4,6,6]-4:N[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(N[6,6]C[6,6]S)(H)2	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]N)(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[4,6,6]N[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(N[6,6]C[6,6]S)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]N)(C[6,6]N[6,6]HH)(H){1|S<4>,2|C<3>,2|C<4>}	H(C[6,6]C[4,6,6]N[6,6]H)	109.4570	0.023	2	109.4570	0.001	2	109.4570	0.001	2	109.4570	0.001	2	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|H<1>,2|C<3>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.5662	0.338	60	109.5662	0.114	60	109.5113	0.114	95	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.5680	0.000	1	109.3926	0.099	33	109.5113	0.114	95	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Mn<5>,2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.5099	0.086	12	109.3926	0.099	33	109.5113	0.114	95	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Mn<6>,2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.6322	0.123	4	109.3926	0.099	33	109.5113	0.114	95	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|O<2>,2|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.4253	0.451	8	109.3926	0.099	33	109.5113	0.114	95	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Re<6>,2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.0422	0.176	8	109.3926	0.099	33	109.5113	0.114	95	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]O[6])(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]O[6])(H)2{2|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.8200	0.006	2	109.8200	0.000	2	109.5113	0.114	95	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]O)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.1750	0.004	2	109.1750	0.000	2	109.7065	1.348	62	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|H<1>,2|C<3>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.5310	0.083	4	109.5310	0.007	4	109.7065	1.348	62	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]CH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{1|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]CH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.3250	0.040	2	109.3250	0.002	2	109.7065	1.348	62	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.4848	0.272	19	109.8627	1.766	45	109.7065	1.348	62	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.6602	0.160	6	109.8627	1.766	45	109.7065	1.348	62	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	110.4327	1.963	18	109.8627	1.766	45	109.7065	1.348	62	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.9305	0.441	2	109.8627	1.766	45	109.7065	1.348	62	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.0950	0.028	2	109.0950	0.001	2	109.7065	1.348	62	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.2365	0.042	2	109.1492	0.012	4	109.7065	1.348	62	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.0620	0.059	2	109.1492	0.012	4	109.7065	1.348	62	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]Pd)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]Pd)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|Pd<5>,1|C<4>,1|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.3580	0.011	3	109.3580	0.000	3	109.7065	1.348	62	109.5884	0.605	157	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:2:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(OH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(OH)(H){2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<3>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	108.3820	0.119	3	108.3820	0.014	3	108.3820	0.014	3	108.3820	0.014	3	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:3:1:	4:4:3:4:	4:	C[4,6,6]-4:N[6,6]-3:C[6a]-3:H-1:	C[4,6]-4:C[6,6]-4:C[4,6]-3:C-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]S)(C[6a]C[6a]2)(H)	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]N[6,6]C[6a]H)(C[4,6]C[4,6,6]N)(CCHH)	H(C[6,6]C[4,6,6]N[6,6]C[6a])	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[6,6]N[6,6]C[6a]H)(C[4,6]C[4,6,6]N)(CCHH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6,6]C[4,6,6]N[6,6]C[6a])	107.2020	0.000	1	107.2020	0.000	1	107.2020	0.000	1	107.2020	0.000	1	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:3:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:N-3:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(NHS)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HN)(H)	H(C[6,6]C[4,6,6]C[6,6]N)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(NHS)(H){2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HN)(H){1|C<3>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]N)	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[3x6]-3:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]CH)(H)	H(C[6,6]C[4,6,6]C[3x6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(CH3)(H){1|Re<6>,2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]CH)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6,6]C[4,6,6]C[3x6]C)	107.8010	0.000	1	107.8010	0.000	1	107.8010	0.000	1	107.9812	2.870	6	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[6a]CN)(H){2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<3>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	109.5180	0.533	2	109.5180	0.284	2	108.3343	4.345	3	107.9812	2.870	6	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-3:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHHN)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHHN)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	105.9670	0.000	1	105.9670	0.000	1	108.3343	4.345	3	107.9812	2.870	6	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)	C[4,6,6](C[6,6]C[6,6,6a]C[6,6]H)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	H(C[6,6]C[6,6,6a]C[4,6,6]C[6,6])	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H){1|N<2>,3|C<3>,3|H<1>,5|C<4>}	C[4,6,6](C[6,6]C[6,6,6a]C[6,6]H)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6,6a]C[4,6,6]C[6,6])	107.5415	2.205	2	107.5415	4.864	2	107.5415	4.864	2	107.9812	2.870	6	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	3:4:4:1:	4:	C[4,6,6]-4:C[3x6]-4:H-1:H-1:	C[4,6,6]-3:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[3x6]C[3x6]C[5,6]H)(H)2	C[4,6,6](C[4,6,6]C[4,3x6]C[6])(C[4,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[3x6]C[3x6]C[5,6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[4,6,6](C[4,6,6]C[4,3x6]C[6])(C[4,6]C[4,3x6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.5865	0.019	2	109.5865	0.000	2	109.5865	0.000	2	109.5865	0.000	2	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:N[4,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]HH)(N[4,6]C[4,6,6]C)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]HH)(N[4,6]C[4,6,6]C)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.5175	0.015	2	109.5175	0.000	2	109.5175	0.000	2	109.4900	0.001	6	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:3:4:1:	4:	C[4,6,6]-4:N[6,6]-4:H-1:H-1:	C[4,6]-4:N[4,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(N[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(N[4,6]C[4,6,6]C)(C[6,6]N[6,6]HH)(H)	H(C[6,6]C[4,6,6]N[6,6]H)	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(N[6,6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(N[4,6]C[4,6,6]C)(C[6,6]N[6,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[4,6,6]N[6,6]H)	109.4762	0.038	4	109.4762	0.001	4	109.4762	0.001	4	109.4900	0.001	6	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:3:4:3:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:N[4,6]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,6]C)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]HH)(N[4,6]C[4,6,6]C)(C[6,6]C[6,6]HH)(COO)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]N[4,6]C)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]HH)(N[4,6]C[4,6,6]C)(C[6,6]C[6,6]HH)(COO){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.7125	0.025	2	109.7125	0.001	2	109.7125	0.001	2	109.7125	0.001	2	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[6,6]-4:S[4,6]-2:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]S[4,6]H)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]HN)(C[6,6]C[6,6]HH)(S[4,6]C[4,6,6])(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]S[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]HN)(C[6,6]C[6,6]HH)(S[4,6]C[4,6,6])(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.8590	0.031	2	109.8590	0.001	2	109.8590	0.001	2	109.8590	0.001	2	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[6,6]-4:S[4,6]-2:C-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]S[4,6]C)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]HN)(C[6,6]C[6,6]HH)(S[4,6]C[4,6,6])(CH3)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]S[4,6]C)(C[6,6]C[6,6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]HN)(C[6,6]C[6,6]HH)(S[4,6]C[4,6,6])(CH3){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.0770	0.013	2	109.0770	0.000	2	109.0770	0.000	2	109.0770	0.000	2	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:3:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[6,6]-4:C[4,6]-3:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6]2H)(H)2	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6,6]HH)(C[4,6]C[4]N[6])(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6,6]HH)(C[4,6]C[4]N[6])(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	110.5437	0.069	3	110.5437	0.005	3	110.5437	0.005	3	110.5437	0.005	3	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,3x6]N[3,6]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3,6,6]HH)(H)	H(C[6,6]C[3,6,6]C[4,6,6]H)	C[6,6](C[3,6,6]C[3,3x6]N[3,6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3,6,6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]C[3,6,6]C[4,6,6]H)	109.3885	0.012	2	109.3885	0.000	2	109.2198	0.014	10	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3,6,6]HH)(H)	H(C[6,6]C[3,6,6]C[4,6,6]H)	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3,6,6]HH)(H){2|C<4>,2|H<1>}	H(C[6,6]C[3,6,6]C[4,6,6]H)	109.1776	0.089	8	109.1776	0.008	8	109.2198	0.014	10	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	108.9000	0.019	3	108.9000	0.000	3	108.8224	0.402	12	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.1670	0.008	2	109.0297	0.098	7	108.8224	0.402	12	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	109.3650	0.008	2	109.0297	0.098	7	108.8224	0.402	12	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{2|H<1>,6|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	108.7147	0.117	3	109.0297	0.098	7	108.8224	0.402	12	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]S[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]S[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[3x6]HH)(H){1|C<4>,1|S<2>,2|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	107.9805	1.447	2	107.9805	2.095	2	108.8224	0.402	12	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[3,4,6]-4:C[4,6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[3,4,6]C[4,6,6]H)(C[6,6]C[6]2H)(H)2	C[4,6,6](C[3,4,6]C[3,4,6]C[3,6]N[6])(C[4,6,6]C[3,4,6]C[6]N[6])(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[3,4,6]C[4,6,6]H)(C[6,6]C[6]2H)(H)2{2|N<3>,3|C<4>,4|H<1>}	C[4,6,6](C[3,4,6]C[3,4,6]C[3,6]N[6])(C[4,6,6]C[3,4,6]C[6]N[6])(C[6,6]C[6,6]HH)(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.4295	0.185	2	109.4295	0.034	2	109.4295	0.034	2	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[5,6,6]HO)(H)2	C[4,6,6](C[4,5,6]C[4,5,6,6]C[5]C)(C[4,6]C[4,5,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[5,6,6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,5,6]C[4,5,6,6]C[5]C)(C[4,6]C[4,5,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.6295	0.016	2	109.6295	0.000	2	109.3159	0.049	9	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,5,6]C[4,6,6]C[5]2)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,5,6]C[4,6,6]C[5]2)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.2263	0.152	7	109.2263	0.023	7	109.3159	0.049	9	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	C[4,6,6](C[4,6,6]C[4,3x6]C[6]C)(C[4,6]C[4,3x6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,6,6]C[4,3x6]C[6]C)(C[4,6]C[4,3x6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.4895	0.019	2	109.4895	0.000	2	109.3912	0.224	12	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]C[6a]O)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]C[6a]O)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.3988	0.127	4	109.4313	0.012	6	109.3912	0.224	12	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]C[6a]O)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]C[6a]O)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.4965	0.023	2	109.4313	0.012	6	109.3912	0.224	12	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]C[6a]O)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[4,6,6](C[4,6,6]C[4,3x6]C[6]H)(C[4,6]C[4,3x6]C[6a]O)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.8985	0.054	2	108.8985	0.003	2	109.3912	0.224	12	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6]2H)(H)2	C[4,6,6](C[4,6,6]C[4,6]C[6]N[6])(C[4,6]C[4,6]N[6]H)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6]2H)(H)2{2|C<4>,2|N<3>,5|H<1>}	C[4,6,6](C[4,6,6]C[4,6]C[6]N[6])(C[4,6]C[4,6]N[6]H)(C[6,6]C[6,6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.6655	1.317	2	109.6655	1.735	2	109.3912	0.224	12	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.9525	0.058	13	108.9250	2.118	17	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2{1|S<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.8358	3.357	4	108.9250	2.118	17	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.9227	0.191	4	109.0033	0.039	9	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.0678	0.198	5	109.0033	0.039	9	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HO)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.6415	0.097	4	108.6415	0.009	4	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|B<3>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.8890	0.000	1	108.6393	0.048	3	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|B<4>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.5145	0.050	2	108.6393	0.048	3	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.6672	0.803	8	108.6672	0.645	8	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CaH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CaH)(H)2{2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|Ca<11>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.4350	0.044	4	109.4350	0.002	4	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CrH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CrH)(H)2{2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|Cr<10>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.2553	0.085	18	109.2553	0.007	18	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]FeH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]FeH)(H)2{2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|Fe<10>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.0480	0.040	5	109.0480	0.002	5	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.1958	0.232	5	109.1864	0.574	72	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<3>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.1350	0.016	2	109.1864	0.574	72	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.8555	0.008	2	109.1864	0.574	72	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.6845	0.013	2	109.1864	0.574	72	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.1591	0.163	19	109.1864	0.574	72	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.2397	0.977	42	109.1864	0.574	72	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CH)(C[4,6]C[4,6,6]CO)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CH)(C[4,6]C[4,6,6]CO)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.4530	0.013	2	109.4530	0.000	2	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]ClH)(C[4,6]C[4,6,6]ClS)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{2|Cl<1>,1|C<4>,1|S<4>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]ClH)(C[4,6]C[4,6,6]ClS)(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.9455	0.125	4	108.9455	0.016	4	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.8370	0.014	2	109.0262	0.031	36	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.0582	0.174	30	109.0262	0.031	36	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.8805	0.065	4	109.0262	0.031	36	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.9805	0.019	2	108.9642	0.001	4	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.9480	0.040	2	108.9642	0.001	4	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HV)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HV)(H)2{2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|V<10>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.3192	0.052	10	109.3192	0.003	10	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]LaH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]LaH)(H)2{2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|La<18>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.5360	0.040	6	109.5360	0.002	6	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]TiH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]TiH)(H)2{2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|Ti<12>,1|C<4>,1|H<1>,1|H<2>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.1870	0.010	2	109.1870	0.000	2	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]ZrH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]ZrH)(H)2{2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|Zr<12>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.4106	0.049	5	109.3839	0.003	17	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]ZrH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]ZrH)(H)2{2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|Zr<13>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.3728	0.060	12	109.3839	0.003	17	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]N[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]N[6,6]HH)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|N<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.2635	0.008	2	109.2635	0.000	2	109.1296	0.403	223	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]HH)(H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[5,6,6]H)	109.2223	0.079	3	109.2223	0.006	3	109.0064	0.019	31	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]HH)(H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<3>,1|O<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6,6]C[4,6,6]C[5,6,6]H)	108.9417	0.100	18	108.9625	0.010	26	109.0064	0.019	31	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]HH)(H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,1|O<2>,2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6,6]C[4,6,6]C[5,6,6]H)	108.9858	0.091	6	108.9625	0.010	26	109.0064	0.019	31	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]HH)(H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{2|H<1>,2|O<2>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6,6]C[4,6,6]C[5,6,6]H)	109.0795	0.023	2	108.9625	0.010	26	109.0064	0.019	31	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]HH)(H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(H)2{1|O<1>,2|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]HH)(H){1|C<3>,1|H<1>,2|O<2>}	H(C[6,6]C[4,6,6]C[5,6,6]H)	109.2525	0.019	2	109.2525	0.000	2	109.0064	0.019	31	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|F<1>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|B<4>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	110.5258	3.256	4	110.5258	10.604	4	109.5141	2.413	17	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,3|H<1>,6|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	108.9234	0.078	7	108.9234	0.006	7	109.5141	2.413	17	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.3530	0.024	2	109.3530	0.001	2	109.5141	2.413	17	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.4340	0.037	2	109.6167	0.046	4	109.5141	2.413	17	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,4|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.7995	0.046	2	109.6167	0.046	4	109.5141	2.413	17	109.1465	0.449	316	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]HH)(H)2	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(OH)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HH)(OH){1|C<3>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	109.3390	0.000	1	109.3390	0.000	1	109.3390	0.000	1	109.3390	0.000	1	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	109.0843	0.750	7	109.0843	0.563	7	109.0160	0.588	11	108.7683	0.727	16	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	109.1820	1.068	2	109.1820	1.140	2	109.0160	0.588	11	108.7683	0.727	16	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	107.9220	0.000	1	107.9220	0.000	1	109.0160	0.588	11	108.7683	0.727	16	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	C[4,6,6](C[4,6]C[4,6,6]CH)(C[4,6]C[4,6,6]CO)(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CH)(C[4,6]C[4,6,6]CO)(C[6,6]C[6,6]HO)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	109.3000	0.000	1	109.3000	0.000	1	109.0160	0.588	11	108.7683	0.727	16	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6]-4:O[6]-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H)	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6,6]C[6]O[6]H)(H)	H(C[6,6]C[4,6,6]C[6]O[6])	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]HI)(O[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6,6]C[6]O[6]H)(H){1|C<3>,1|C<4>,1|I<1>,7|H<1>}	H(C[6,6]C[4,6,6]C[6]O[6])	109.1465	0.076	2	109.1465	0.006	2	109.1465	0.006	2	108.7683	0.727	16	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	107.5310	0.000	1	107.5310	0.000	1	107.6080	0.009	3	108.7683	0.727	16	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	107.7170	0.000	1	107.6465	0.010	2	107.6080	0.009	3	108.7683	0.727	16	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:2:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){5|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]O)	107.5760	0.000	1	107.6465	0.010	2	107.6080	0.009	3	108.7683	0.727	16	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO)	H(C[6,6]C[4,6,6]2C[6a])	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO){1|H<1>,3|C<4>,5|C<3>}	H(C[6,6]C[4,6,6]2C[6a])	106.1585	0.321	4	106.2044	0.065	8	106.1041	0.148	9	106.1041	0.148	9	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO)	H(C[6,6]C[4,6,6]2C[6a])	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[4,6,6](C[4,6,6]C[4,6,6]N[6,6]H)2(C[6,6]C[4,6,6]C[6a]H)(COO){2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[4,6,6]2C[6a])	106.2502	0.209	4	106.2044	0.065	8	106.1041	0.148	9	106.1041	0.148	9	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:3:1:	4:4:4:3:	4:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[4,6,6](C[4,6,6]C[4,6,6]O[6,6]C)2(C[6,6]C[4,6,6]C[6a]H)(COO)	H(C[6,6]C[4,6,6]2C[6a])	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<2>,6|C<4>}	C[4,6,6](C[4,6,6]C[4,6,6]O[6,6]C)2(C[6,6]C[4,6,6]C[6a]H)(COO){3|C<4>,4|C<3>}	H(C[6,6]C[4,6,6]2C[6a])	105.3020	0.000	1	105.3020	0.000	1	106.1041	0.148	9	106.1041	0.148	9	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:4:1:	3:4:4:4:	4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[4,6,6]-3:C[4,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[4,6,6](C[4,6,6]C[4,6]C[6,6])(C[4,6]C[4,6]C[6]H)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[4,6,6]C[6]2)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]C)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[4,6,6](C[4,6,6]C[4,6]C[6,6])(C[4,6]C[4,6]C[6]H)(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[4,6,6]C[6]2)	102.9320	0.000	1	102.9320	0.000	1	102.9320	0.000	1	102.9320	0.000	1	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|B<3>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	106.7760	0.187	2	107.3753	1.095	3	107.3006	0.755	44	107.3420	0.750	50	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(CH3)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|B<4>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	108.5740	0.000	1	107.3753	1.095	3	107.3006	0.755	44	107.3420	0.750	50	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHN)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	106.9468	0.752	6	106.9468	0.565	6	107.3006	0.755	44	107.3420	0.750	50	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHS)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHHS)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	107.1160	1.430	2	107.1160	2.044	2	107.3006	0.755	44	107.3420	0.750	50	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CSnHH)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CSnHH)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	108.2174	0.791	13	108.2174	0.625	13	107.3006	0.755	44	107.3420	0.750	50	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	106.5710	0.000	1	106.8371	0.074	19	107.3006	0.755	44	107.3420	0.750	50	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	106.8503	0.289	16	106.8371	0.074	19	107.3006	0.755	44	107.3420	0.750	50	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(CH3)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	106.8645	0.006	2	106.8371	0.074	19	107.3006	0.755	44	107.3420	0.750	50	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CH3)(H){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	106.4550	0.000	1	106.4550	0.000	1	107.3006	0.755	44	107.3420	0.750	50	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|F<1>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|B<4>,1|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	108.1025	1.730	2	108.1025	2.994	2	107.6460	0.733	6	107.3420	0.750	50	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[4,6,6]-4:C-4:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H)	H(C[6,6]C[4,6,6]C[6,6]C)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(CH3)(H){1|B<4>,4|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CH)(H){1|C<4>,1|N<4>,2|H<1>}	H(C[6,6]C[4,6,6]C[6,6]C)	107.4177	0.122	4	107.4177	0.015	4	107.6460	0.733	6	107.3420	0.750	50	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[4,6]-4:N[4,5]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,5]C[6])(C[6]C[6]HH)2(H)	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,5]B[4]C[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6,6]C[4,6,6]C[6]2)	C[6,6](C[4,6,6]C[4,6]N[4,5]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,4|C<4>,5|H<1>}	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,5]B[4]C[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH){11|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[4,6,6]C[6]2)	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	107.9157	0.029	3	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,6,6]-4:C[6]-4:C[6]-4:H-1:	C[4,6]-4:N[4,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,6]C[6])(C[6]C[6]HH)2(H)	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6,6]C[4,6,6]C[6]2)	C[6,6](C[4,6,6]C[4,6]N[4,6]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,4|C<4>,5|H<1>}	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HH){11|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[4,6,6]C[6]2)	107.9720	0.198	2	107.9720	0.039	2	107.9720	0.039	2	107.9157	0.029	3	109.1049	1.251	633	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6]	H	4:4:4:1:	4:3:4:4:	4:	C[6,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6,6]-4:C[4,6]-3:C[4]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)	C[4,6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4,5]C[6])(C[4]C[4,5]HH)(CH3)	H(C[6,6]C[4,6]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	C[4,6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4,5]C[6])(C[4]C[4,5]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[4,6]C[6,6]C[6])	104.6030	0.000	1	104.6030	0.000	1	104.6030	0.000	1	104.6030	0.000	1	104.7515	0.044	2	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6,6]	C[4,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,6]-4:C[6,6]-4:C[6]-4:H-1:	C[4,6]-4:C[6,6]-4:C[4]-4:C-4:	C[6,6]-4:	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[4,6](C[4,6]C[4,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[4]C[4,5]HH)(CH3)	H(C[6,6]C[4,6]C[6,6]C[6])	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[4,6](C[4,6]C[4,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[4]C[4,5]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[4,6]C[6,6]C[6])	104.9000	0.000	1	104.9000	0.000	1	104.9000	0.000	1	104.9000	0.000	1	104.7515	0.044	2	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[3x4]	H	4:4:4:1:	4:4:4:4:	4:	C[3x4]-4:C[6]-4:C[6]-4:H-1:	C[4,4]-4:C[4,4]-4:C[4,4]-4:C[6]-4:	C[6]-4:	C[6](C[3x4]C[4,4]3)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[3x4](C[4,4]C[3x4]HH)3(C[6]C[6]2H)	H(C[6]C[3x4]C[6]2)	C[6](C[3x4]C[4,4]3)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,9|H<1>}	C[3x4](C[4,4]C[3x4]HH)3(C[6]C[6]2H){1|I<1>,2|C<4>,4|H<1>}	H(C[6]C[3x4]C[6]2)	104.7620	0.000	1	104.7620	0.000	1	104.7620	0.000	1	105.8800	2.500	2	105.8800	2.500	2	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[3x4]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[3x4]-4:C[6]-4:H-1:	C[6]-4:C[4,4]-4:C[4,4]-4:C[4,4]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[3x4]C[4,4]3)(C[6]C[6]HH)(H)	C[3x4](C[6]C[5,6]C[6]H)(C[4,4]C[3x4]HH)3	H(C[6]C[3x4]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[3x4]C[4,4]3)(C[6]C[6]HH)(H){11|H<1>,1|N<3>,3|C<4>}	C[3x4](C[6]C[5,6]C[6]H)(C[4,4]C[3x4]HH)3{1|I<1>,3|C<4>,3|H<1>}	H(C[6]C[3x4]C[5,6]C[6])	106.9980	0.000	1	106.9980	0.000	1	106.9980	0.000	1	105.8800	2.500	2	105.8800	2.500	2	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,3x5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[4,3x5,6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6,6]-4:C[3x5,6]-4:C[4,5]-3:C[6]-4:	C[6]-4:	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5])(C[6]C[6]HH)(H)2	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[3x5,6]C[5,5,6]O[5,6]H)(C[4,5]C[4,5,5,6]C)(C[6]C[6]HH)	H(C[6]C[4,3x5,6]C[6]H)	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[3x5,6]C[5,5,6]O[5,6]H)(C[4,5]C[4,5,5,6]C)(C[6]C[6]HH){1|C<4>,1|O<1>,7|H<1>}	H(C[6]C[4,3x5,6]C[6]H)	104.9545	1.493	2	104.9545	2.228	2	104.9545	2.228	2	104.9545	2.228	2	105.4165	5.785	4	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,3x5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,3x5,6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6,6]-4:C[4,5,6]-4:C[3x5,6]-4:C[6]-4:	C[6]-4:	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5,6])(C[6]C[6]HH)(H)2	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[5,6]C[6])(C[4,5,6]C[4,5,5,6,6]O[6]H)(C[3x5,6]C[5,5,6]O[5,6]H)(C[6]C[6]HH)	H(C[6]C[4,3x5,6]C[6]H)	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[5,6]C[6])(C[4,5,6]C[4,5,5,6,6]O[6]H)(C[3x5,6]C[5,5,6]O[5,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[4,3x5,6]C[6]H)	105.8785	3.778	2	105.8785	14.274	2	105.8785	14.274	2	105.8785	14.274	2	105.4165	5.785	4	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[4,3x6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-3:C[3x6]-4:C[4,6]-4:C[6]-4:	C[6]-4:	C[6](C[4,3x6]C[4,6,6]C[3x6]C[4,6])(C[6]C[6]HH)(H)2	C[4,3x6](C[4,6,6]C[4,6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH)	H(C[6]C[4,3x6]C[6]H)	C[6](C[4,3x6]C[4,6,6]C[3x6]C[4,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6])(C[3x6]C[3x6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[4,3x6]C[6]H)	109.7930	0.033	3	109.7930	0.001	3	109.7930	0.001	3	109.5754	0.089	5	109.6590	0.080	7	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,3x6]	H	4:4:1:1:	3:4:4:4:	4:	C[4,3x6]-4:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[4,6,6]-4:C[4,6]-4:C[6]-4:	C[6]-4:	C[6](C[4,3x6]C[6,6,6a]C[4,6,6]C[4,6])(C[6]C[6]HH)(H)2	C[4,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH)	H(C[6]C[4,3x6]C[6]H)	C[6](C[4,3x6]C[6,6,6a]C[4,6,6]C[4,6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[4,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[4,3x6]C[6]H)	109.2490	0.004	2	109.2490	0.000	2	109.2490	0.000	2	109.5754	0.089	5	109.6590	0.080	7	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,3x6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4,3x6]C[4,6,6]C[4,6]C[6,6])(C[6]C[6]HH)(H)2	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[4,3x6]C[6]H)	C[6](C[4,3x6]C[4,6,6]C[4,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[4,3x6](C[4,6,6]C[4,6,6]C[6]H)(C[4,6]C[4,6,6]C[6a]O)(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[4,3x6]C[6]H)	109.8680	0.023	2	109.8680	0.001	2	109.8680	0.001	2	109.8680	0.001	2	109.6590	0.080	7	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,4,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[4,4,5,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:N[3,4,4]-3:C[4,5]-3:C[6]-4:	C[6]-4:	C[6](C[4,4,5,6]C[4,5,6]N[3,4,4]C[4,5])(C[6]C[6]HH)(H)2	C[4,4,5,6](C[4,5,6]C[3,4,5]C[6]H)(N[3,4,4]C[3,4,5]2)(C[4,5]C[3,4,5]O)(C[6]C[6]HH)	H(C[6]C[4,4,5,6]C[6]H)	C[6](C[4,4,5,6]C[4,5,6]N[3,4,4]C[4,5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[4,4,5,6](C[4,5,6]C[3,4,5]C[6]H)(N[3,4,4]C[3,4,5]2)(C[4,5]C[3,4,5]O)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[4,4,5,6]C[6]H)	109.2120	0.023	2	109.2120	0.001	2	109.2120	0.001	2	109.2120	0.001	2	109.2120	0.001	2	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,3x6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6]-4:C[4,6,6]-4:C[5,6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[5,6,6])(C[6]C[6]HH)(H)2	C[4,5,3x6](C[4,5,5,6]C[4,5,6,6]C[5,5]H)(C[4,6,6]C[4,5,6,6]C[6]H)(C[5,6,6]C[5,5,6,6]ClH)(C[6]C[6]HH)	H(C[6]C[4,5,3x6]C[6]H)	C[6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[5,6,6])(C[6]C[6]HH)(H)2{1|Cl<1>,4|C<4>,5|H<1>}	C[4,5,3x6](C[4,5,5,6]C[4,5,6,6]C[5,5]H)(C[4,6,6]C[4,5,6,6]C[6]H)(C[5,6,6]C[5,5,6,6]ClH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[4,5,3x6]C[6]H)	109.0187	0.055	6	109.0187	0.003	6	109.0187	0.003	6	109.0187	0.003	6	109.0187	0.003	6	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[4,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[4,3x5,6]-4:C[4,5,5,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[4,5,5,6,6]C[4,3x5,6]C[4,5,5,6]C[5,6])(C[6]C[6]HH)(H)2	C[4,5,5,6,6](C[4,3x5,6]C[3x5,6]C[4,5]C[6])(C[4,5,5,6]C[5,5,6]C[4,5]H)(C[5,6]O[5,6]O)(C[6]C[6]HH)	H(C[6]C[4,5,5,6,6]C[6]H)	C[6](C[4,5,5,6,6]C[4,3x5,6]C[4,5,5,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[4,5,5,6,6](C[4,3x5,6]C[3x5,6]C[4,5]C[6])(C[4,5,5,6]C[5,5,6]C[4,5]H)(C[5,6]O[5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,7|H<1>}	H(C[6]C[4,5,5,6,6]C[6]H)	115.6415	6.816	2	115.6415	46.455	2	115.6415	46.455	2	111.7782	39.126	4	111.7782	39.126	4	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[4,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6,6]-4:C[4,3x5,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]C[5,6])(C[6]C[6]HH)(H)2	C[4,5,5,6,6](C[4,5,5,6,6]C[4,5,6]C[5,5,6]C[6])(C[4,3x5,6]C[3x5,6]C[4,5,6]C[6])(C[5,6]O[5,6]O)(C[6]C[6]HH)	H(C[6]C[4,5,5,6,6]C[6]H)	C[6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[4,5,5,6,6](C[4,5,5,6,6]C[4,5,6]C[5,5,6]C[6])(C[4,3x5,6]C[3x5,6]C[4,5,6]C[6])(C[5,6]O[5,6]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|O<2>,8|H<1>}	H(C[6]C[4,5,5,6,6]C[6]H)	107.9150	3.350	2	107.9150	11.224	2	107.9150	11.224	2	111.7782	39.126	4	111.7782	39.126	4	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[4,5,5,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,5]-3:C[5,5]-4:C[6]-4:	C[6]-4:	C[6](C[4,5,5,6]C[4,5,6]C[4,5]C[5,5])(C[6]C[6]HH)(H)2	C[4,5,5,6](C[4,5,6]C[4,5,5]C[6]C)(C[4,5]C[4,5,5]O)(C[5,5]C[5,5]HO)(C[6]C[6]HH)	H(C[6]C[4,5,5,6]C[6]H)	C[6](C[4,5,5,6]C[4,5,6]C[4,5]C[5,5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[4,5,5,6](C[4,5,6]C[4,5,5]C[6]C)(C[4,5]C[4,5,5]O)(C[5,5]C[5,5]HO)(C[6]C[6]HH){1|C<4>,7|H<1>}	H(C[6]C[4,5,5,6]C[6]H)	105.9485	4.953	2	105.9485	24.535	2	105.9485	24.535	2	105.9485	24.535	2	105.9485	24.535	2	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[4,5,6,6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4,6]-4:C[6]-4:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2	C[4,5,6,6](C[4,5,6]C[5,5,3x6]C[4]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[4,6]C[4]C[6]H)(C[6]C[6]HH)	H(C[6]C[4,5,6,6]C[6]H)	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6]C[5,5,3x6]C[4]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[4,6]C[4]C[6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[4,5,6,6]C[6]H)	108.2772	0.373	6	108.2772	0.139	6	108.2772	0.139	6	108.2772	0.139	6	107.8082	2.334	17	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[4,5,6,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:N[5,6]-3:C[4,6]-4:C[6]-4:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,6]C[4,6]N[5,6])(C[6]C[6]HH)(H)2	C[4,5,6,6](C[4,5,6]C[5,6a]C[4]C[6])(N[5,6]C[5,6a]C[6])(C[4,6]C[4]C[6]H)(C[6]C[6]HH)	H(C[6]C[4,5,6,6]C[6]H)	C[6](C[4,5,6,6]C[4,5,6]C[4,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[4,5,6,6](C[4,5,6]C[5,6a]C[4]C[6])(N[5,6]C[5,6a]C[6])(C[4,6]C[4]C[6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<1>,6|H<1>}	H(C[6]C[4,5,6,6]C[6]H)	109.3375	0.008	2	109.3375	0.000	2	109.3375	0.000	2	109.3375	0.000	2	107.8082	2.334	17	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[4,5,6,6]-4:C[6]-4:H-1:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH)	H(C[6]C[4,5,6,6]C[6]H)	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH){1|O<1>,4|C<4>,7|H<1>}	H(C[6]C[4,5,6,6]C[6]H)	109.0697	0.218	4	109.0697	0.048	4	109.0697	0.048	4	109.0697	0.048	4	107.8082	2.334	17	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[4,5,6,6]-4:C[5,6]-4:C-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[3,5]C[5,6]H)(CHOO)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[6]C[5,6]CH)	H(C[6]C[4,5,6,6]C[5,6]C)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[3,5]C[5,6]H)(CHOO)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[6]C[5,6]CH){1|C<2>,4|H<1>,6|C<4>}	H(C[6]C[4,5,6,6]C[5,6]C)	105.3120	0.000	1	105.3120	0.000	1	105.3120	0.000	1	105.6530	0.233	2	107.8082	2.334	17	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[5,6]C[5]H)	H(C[6]C[4,5,6,6]C[5,6]C[5])	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,2|C<3>,3|H<1>,7|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,5,6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[5,6]C[5]H){2|C<3>,4|C<4>,4|O<2>,6|H<1>}	H(C[6]C[4,5,6,6]C[5,6]C[5])	105.9940	0.000	1	105.9940	0.000	1	105.9940	0.000	1	105.6530	0.233	2	107.8082	2.334	17	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[6]-4:C[5,6]-3:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[6]C[5,6]C[5]H)(C[5,6]C[5,3x6]O)	H(C[6]C[4,5,6,6]C[5,6]C[5])	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[6]C[5,6]C[5]H)(C[5,6]C[5,3x6]O){1|C<2>,2|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[4,5,6,6]C[5,6]C[5])	105.4240	0.000	1	105.6057	0.033	3	105.6057	0.033	3	105.6057	0.033	3	107.8082	2.334	17	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:3:	4:	C[4,5,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[6]-4:C[5,6]-3:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[6]C[5,6]C[5]H)(C[5,6]C[5,3x6]O)	H(C[6]C[4,5,6,6]C[5,6]C[5])	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]O[5]2H)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[6]C[5,6]C[5]H)(C[5,6]C[5,3x6]O){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	H(C[6]C[4,5,6,6]C[5,6]C[5])	105.6965	0.125	2	105.6057	0.033	3	105.6057	0.033	3	105.6057	0.033	3	107.8082	2.334	17	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6]	H	4:3:3:1:	4:4:4:2:	4:	C[4,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[6]-4:C[4]-4:O[5]-2:	C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[4,5,6](C[4,5,6]C[4]C[5]O[6])(C[6]C[5,6]C[6a]H)(C[4]C[4]HH)(O[5]C[5])	H(C[6]C[4,5,6]C[5,6]C[6a])	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,6|H<1>}	C[4,5,6](C[4,5,6]C[4]C[5]O[6])(C[6]C[5,6]C[6a]H)(C[4]C[4]HH)(O[5]C[5]){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[4,5,6]C[5,6]C[6a])	106.5730	0.000	1	106.5730	0.000	1	106.5730	0.000	1	106.5730	0.000	1	109.2336	0.816	21	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6]	H	4:4:1:1:	4:3:4:2:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-3:C[6]-4:O[5]-2:	C[6]-4:	C[6](C[4,5,6]C[4,5]C[4,6]O[5])(C[6]C[6]HH)(H)2	C[4,5,6](C[4,5]C[4]O[5]H)(C[4,6]C[4]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5]C[4,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[4,5,6](C[4,5]C[4]O[5]H)(C[4,6]C[4]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[4,5,6]C[6]H)	109.9235	0.013	2	109.9235	0.000	2	109.9235	0.000	2	109.9235	0.000	2	109.2336	0.816	21	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[3,4,5]-4:C[4,4,5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,5,6]C[4,4,5,6]C[3,4,5]H)(C[6]C[6]HH)(H)2	C[4,5,6](C[3,4,5]C[3,4,5]N[3,4,4]C[6a])(C[4,4,5,6]N[3,4,4]C[4,5]C[6])(C[6]C[6]HH)(H)	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,4,5,6]C[3,4,5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[4,5,6](C[3,4,5]C[3,4,5]N[3,4,4]C[6a])(C[4,4,5,6]N[3,4,4]C[4,5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[6]C[4,5,6]C[6]H)	109.3065	0.005	2	109.3065	0.000	2	109.3065	0.000	2	109.4755	0.739	4	109.2336	0.816	21	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6]-4:C[4,5,5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]H)(C[6]C[6]HH)(H)2	C[4,5,6](C[4,5,5,6]C[4,5]C[5,5]C[6])(C[4,5,5]C[4,5]C[5,5]H)(C[6]C[6]HH)(H)	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5]C[5,5]C[6])(C[4,5,5]C[4,5]C[5,5]H)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|O<1>,7|H<1>}	H(C[6]C[4,5,6]C[6]H)	109.6445	1.450	2	109.6445	2.103	2	109.6445	2.103	2	109.4755	0.739	4	109.2336	0.816	21	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[4,5,5,6]-4:C[4,5,5]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]C)(C[6]C[6]HH)(H)2	C[4,5,6](C[4,5,5,6]C[4,5]C[5,5]C[6])(C[4,5,5]C[4,5]C[5,5]H)(C[6]C[6]HH)(CH3)	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5]C[5,5]C[6])(C[4,5,5]C[4,5]C[5,5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	H(C[6]C[4,5,6]C[6]H)	109.0130	0.479	2	109.0130	0.230	2	109.0130	0.230	2	109.2559	0.448	14	109.2336	0.816	21	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH)	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[4,5,6]C[6]H)	108.7300	0.016	2	108.6258	0.009	6	108.6258	0.009	6	109.2559	0.448	14	109.2336	0.816	21	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH)	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2{1|Cl<1>,4|C<4>,5|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH){1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[4,5,6]C[6]H)	108.5737	0.066	4	108.6258	0.009	6	108.6258	0.009	6	109.2559	0.448	14	109.2336	0.816	21	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[5,6]-4:C[4]-4:C[6]-4:	C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[5,6]C[4])(C[6]C[6,6]HH)(H)2	C[4,5,6](C[4,5,6]C[3,5,6]C[6]O[4])(C[5,6]C[6,6]C[5]H)(C[4]O[4]HH)(C[6]C[6]HH)	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5,6]C[5,6]C[4])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[3,5,6]C[6]O[4])(C[5,6]C[6,6]C[5]H)(C[4]O[4]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[4,5,6]C[6]H)	109.9670	0.060	6	109.9670	0.004	6	109.9670	0.004	6	109.2559	0.448	14	109.2336	0.816	21	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[4,6,6]-4:N[6]-3:H-1:H-1:	C[4,3x6]-4:C[4,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[4,6,6]C[4,3x6]C[4,6,6]C)(N[6]C[6]S)(H)2	C[4,6,6](C[4,3x6]C[3x6]C[4,6]H)(C[4,6,6]C[4,6]C[6,6]H)(C[6]N[6]HH)(CH3)	H(C[6]C[4,6,6]N[6]H)	C[6](C[4,6,6]C[4,3x6]C[4,6,6]C)(N[6]C[6]S)(H)2{3|C<4>,4|H<1>}	C[4,6,6](C[4,3x6]C[3x6]C[4,6]H)(C[4,6,6]C[4,6]C[6,6]H)(C[6]N[6]HH)(CH3){1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[4,6,6]N[6]H)	108.8985	0.011	2	108.8985	0.000	2	108.8985	0.000	2	108.8985	0.000	2	108.7506	0.966	32	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[4,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2	C[4,6,6](C[4,3x6]C[3x6]C[4,6]C)(C[4,6,6]C[4,6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,3x6]C[3x6]C[4,6]C)(C[4,6,6]C[4,6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[4,6,6]C[6]H)	108.3667	0.050	4	108.3952	0.004	6	108.9835	1.189	8	108.9459	1.114	16	108.7506	0.966	32	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[4,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2	C[4,6,6](C[4,3x6]C[3x6]C[4,6]C)(C[4,6,6]C[4,6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,3x6]C[3x6]C[4,6]C)(C[4,6,6]C[4,6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[4,6,6]C[6]H)	108.4520	0.024	2	108.3952	0.004	6	108.9835	1.189	8	108.9459	1.114	16	108.7506	0.966	32	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[4,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2	C[4,6,6](C[4,3x6]C[4,6]C[6,6]C[6])(C[4,6,6]C[4,6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,3x6]C[4,6]C[6,6]C[6])(C[4,6,6]C[4,6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(C[6]C[4,6,6]C[6]H)	110.7485	0.028	2	110.7485	0.001	2	108.9835	1.189	8	108.9459	1.114	16	108.7506	0.966	32	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[6]C[6]HH)(H)2	C[4,6,6](C[4,5,3x6]C[4,5,5,6]C[5,6,6]C[6])(C[4,5,6,6]C[4,5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[4,6,6](C[4,5,3x6]C[4,5,5,6]C[5,6,6]C[6])(C[4,5,6,6]C[4,5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H){1|Cl<1>,3|C<4>,8|H<1>}	H(C[6]C[4,6,6]C[6]H)	109.1882	0.076	6	109.1882	0.006	6	109.1882	0.006	6	108.9459	1.114	16	108.7506	0.966	32	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[4,5,6,6]-4:C[4,3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,5,6,6]C[4,3x6]H)(C[6]C[6]HH)(H)2	C[4,6,6](C[4,5,6,6]C[4,5,6]O[6,6]C[5])(C[4,3x6]C[4,5,6]C[3x6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,5,6,6]C[4,3x6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[4,6,6](C[4,5,6,6]C[4,5,6]O[6,6]C[5])(C[4,3x6]C[4,5,6]C[3x6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[4,6,6]C[6]H)	108.0690	2.541	2	108.0690	6.458	2	108.0690	6.458	2	108.9459	1.114	16	108.7506	0.966	32	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[4,6,6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[4,6,6]C[3,4,6]C[4,6,6]N[6])(C[6]C[6,6]HH)(H)2	C[4,6,6](C[3,4,6]C[3,4,6]C[3,6]H)(C[4,6,6]C[3,4,6]C[6,6]H)(C[6]C[6]HH)(N[6]C[6]C)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[3,4,6]C[4,6,6]N[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	C[4,6,6](C[3,4,6]C[3,4,6]C[3,6]H)(C[4,6,6]C[3,4,6]C[6,6]H)(C[6]C[6]HH)(N[6]C[6]C){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[4,6,6]C[6]H)	108.8120	0.208	2	108.8120	0.043	2	108.8120	0.043	2	109.0172	0.340	6	108.7506	0.966	32	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[4]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[4,6,6]C[4,3x6]C[4]C[6])(C[6]C[6]HH)(H)2	C[4,6,6](C[4,3x6]C[6,6]N[6,6]C[4])(C[4]C[4]CC)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,3x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,3x6]C[6,6]N[6,6]C[4])(C[4]C[4]CC)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,6|H<1>}	H(C[6]C[4,6,6]C[6]H)	108.6880	0.054	2	108.6880	0.003	2	108.6880	0.003	2	109.0172	0.340	6	108.7506	0.966	32	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](C[4,6,6]C[4,6,6]C[4,6]N[6])(C[6]C[6,6]HH)(H)2	C[4,6,6](C[4,6,6]C[4,6]C[6,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,6,6]C[4,6]N[6])(C[6]C[6,6]HH)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[4,6,6](C[4,6,6]C[4,6]C[6,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[4,6,6]C[6]H)	109.5515	0.883	2	109.5515	0.780	2	109.5515	0.780	2	109.0172	0.340	6	108.7506	0.966	32	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[4]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4,6,6]C[3,4,6]C[6,6]C[4])(C[6]C[6]HH)(H)2	C[4,6,6](C[3,4,6]C[3,4]C[3,6]H)(C[4]C[3,4]HH)(C[6,6]C[6]2C)(C[6]C[6]HH)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[3,4,6]C[6,6]C[4])(C[6]C[6]HH)(H)2{5|C<4>,5|H<1>}	C[4,6,6](C[3,4,6]C[3,4]C[3,6]H)(C[4]C[3,4]HH)(C[6,6]C[6]2C)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[4,6,6]C[6]H)	109.1715	0.039	2	109.1715	0.002	2	109.1715	0.002	2	108.4376	0.294	7	108.7506	0.966	32	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:N[4,5]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4,6,6]C[4,6]C[6,6]N[4,5])(C[6]C[6]HH)(H)2	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,5]B[4]C[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,6]C[6,6]N[4,5])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,4|C<4>,4|H<1>}	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,5]B[4]C[5]2)(C[6,6]C[6]2H)(C[6]C[6]HH){11|H<1>,3|C<3>,3|C<4>}	H(C[6]C[4,6,6]C[6]H)	107.8750	0.025	2	107.8750	0.001	2	107.8750	0.001	2	108.4376	0.294	7	108.7506	0.966	32	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:N[4,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[4,6,6]C[4,6]C[6,6]N[4,6])(C[6]C[6]HH)(H)2	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,6]C[6,6]N[4,6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,4|C<4>,4|H<1>}	C[4,6,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6,6]C[6]2H)(C[6]C[6]HH){11|H<1>,3|C<3>,3|C<4>}	H(C[6]C[4,6,6]C[6]H)	108.3233	0.073	3	108.3233	0.005	3	108.3233	0.005	3	108.4376	0.294	7	108.7506	0.966	32	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6,6]	H	4:4:2:1:	4:4:4:3:	4:	C[4,6,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H)	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6]C[6]HO)(C[6]C[6]O)	H(C[6]C[4,6,6]C[6]O)	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,4|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6]C[6]HO)(C[6]C[6]O){10|H<1>,2|C<4>}	H(C[6]C[4,6,6]C[6]O)	105.9220	0.000	1	105.9220	0.000	1	105.9220	0.000	1	105.9220	0.000	1	108.7506	0.966	32	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	3:4:1:1:	4:4:4:2:	4:	C[6,6a]-3:C[4,6]-4:H-1:H-1:	C[6]-4:C[4]-4:C[4]-4:N[6]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(H)2	C[4,6](C[6]C[6,6a]HH)(C[4]C[4]HH)2(N[6]C[6])	H(C[6]C[6,6a]C[4,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(H)2{1|C<4>,3|C<3>,5|H<1>}	C[4,6](C[6]C[6,6a]HH)(C[4]C[4]HH)2(N[6]C[6]){2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[4,6]H)	109.2490	0.037	2	109.2490	0.001	2	109.2490	0.001	2	109.2490	0.001	2	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:2:1:1:	3:4:4:4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(O[6]C[6])(H)2	C[4,6](C[4,6]C[3,6]C[4])(C[4]C[4]HH)(C[6]O[6]HH)(CH3)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,6](C[4,6]C[3,6]C[4])(C[4]C[4]HH)(C[6]O[6]HH)(CH3){1|C<3>,3|C<4>}	H(C[6]C[4,6]O[6]H)	109.8300	0.006	2	109.8300	0.000	2	109.8300	0.000	2	109.8300	0.000	2	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:2:1:1:	4:4:3:1:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	C[4,6](C[4,6]C[6]N[4]C)(C[6]O[6]HH)(C[4]N[4]O)(H)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[4,6](C[4,6]C[6]N[4]C)(C[6]O[6]HH)(C[4]N[4]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[4,6]O[6]H)	109.5805	1.108	2	110.7268	1.091	6	110.7268	1.091	6	110.1046	1.254	10	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:2:1:1:	4:4:3:1:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	C[4,6](C[4,6]C[6]N[4]C)(C[6]O[6]HH)(C[4]N[4]O)(H)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[4,6](C[4,6]C[6]N[4]C)(C[6]O[6]HH)(C[4]N[4]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[4,6]O[6]H)	111.3000	0.307	4	110.7268	1.091	6	110.7268	1.091	6	110.1046	1.254	10	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:2:1:1:	4:4:3:1:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[6]-4:N[4]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(O[6]C[6,6a])(H)2	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]O[6]HH)(N[4]C[4]C)(H)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]N[4]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]O[6]HH)(N[4]C[4]C)(H){1|O<1>,2|C<3>}	H(C[6]C[4,6]O[6]H)	109.1713	0.092	4	109.1713	0.008	4	109.1713	0.008	4	110.1046	1.254	10	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:2:1:1:	4:4:4:1:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]O[6]HH)(H)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]O[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[4,6]O[6]H)	108.9605	0.033	2	108.9605	0.001	2	109.1676	0.036	5	109.1676	0.036	5	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:2:1:1:	4:4:4:1:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	C[4,6](C[4,6]C[4]C[6]O)(C[4]C[4]HH)(C[6]O[6]HH)(H)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]O)(C[4]C[4]HH)(C[6]O[6]HH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[4,6]O[6]H)	109.3290	0.000	1	109.3290	0.000	1	109.1676	0.036	5	109.1676	0.036	5	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:2:1:1:	4:4:4:1:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]N[6])(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]C[5]H)(C[6]O[6]HH)(H)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]N[6])(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]C[5]H)(C[6]O[6]HH)(H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[4,6]O[6]H)	109.2940	0.024	2	109.2940	0.001	2	109.1676	0.036	5	109.1676	0.036	5	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:2:1:1:	4:4:4:4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[4]-4:C[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(O[6]C[6])(H)2	C[4,6](C[4]Se[4]HH)2(C[6]O[6]HH)2	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4]2C[6])(O[6]C[6])(H)2{1|Se<2>,1|O<2>,2|C<4>,6|H<1>}	C[4,6](C[4]Se[4]HH)2(C[6]O[6]HH)2{1|C<4>}	H(C[6]C[4,6]O[6]H)	110.5733	0.880	4	110.5733	0.774	4	110.5733	0.774	4	110.5733	0.774	4	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	3:3:4:4:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[4,6]-3:C[4]-4:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6]C[6]H)(H)2	C[4,6](C[6a]C[6a,6a]C[6a])(C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[4,6](C[6a]C[6a,6a]C[6a])(C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH){4|C<3>,5|H<1>}	H(C[6]C[4,6]C[6]H)	109.5865	0.056	2	109.5865	0.003	2	109.5865	0.003	2	109.5865	0.003	2	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	3:4:4:1:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	N[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]C)(H)2	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]CH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.8810	0.031	2	109.8810	0.001	2	109.8810	0.001	2	109.7182	0.092	12	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	3:4:4:1:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]N[6]HH)(H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]N[6]HH)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[4,6]N[6]H)	110.0585	0.021	2	109.6857	0.106	10	109.6857	0.106	10	109.7182	0.092	12	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	3:4:4:1:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]N[6]HH)(H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[4,6]N[6]H)	109.5925	0.294	8	109.6857	0.106	10	109.6857	0.106	10	109.7182	0.092	12	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:3:4:1:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[4]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2	C[4,6](C[4,6]C[6,6a]C[3,4]C[6a])(C[4]C[3,4]C)(C[6]N[6]HH)(H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2{1|C<4>,4|C<3>}	C[4,6](C[4,6]C[6,6a]C[3,4]C[6a])(C[4]C[3,4]C)(C[6]N[6]HH)(H){1|S<4>,2|C<4>,4|C<3>}	H(C[6]C[4,6]N[6]H)	109.1860	0.123	4	109.1860	0.015	4	109.1860	0.015	4	109.5473	0.212	7	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:3:4:1:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4]-4:C[4,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[4,6](C[4]C[6a]C[4]H)(C[4,6]C[4]C[6])(C[6]N[6]HH)(H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4]C[6a]C[4]H)(C[4,6]C[4]C[6])(C[6]N[6]HH)(H){1|O<2>,1|S<4>,2|C<4>,3|C<3>}	H(C[6]C[4,6]N[6]H)	110.0290	0.056	3	110.0290	0.003	3	110.0290	0.003	3	109.5473	0.212	7	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:3:4:4:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[4]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2	C[4,6](C[4,5,6]N[5,6]C[4]O[5])(C[4]C[6a]C[4])(C[6]C[6]HH)(CH3)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[4,6](C[4,5,6]N[5,6]C[4]O[5])(C[4]C[6a]C[4])(C[6]C[6]HH)(CH3){2|C<4>,5|C<3>}	H(C[6]C[4,6]C[6]H)	108.4442	2.068	5	108.4442	4.277	5	108.4442	4.277	5	108.4442	4.277	5	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:3:1:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2	C[4,6](C[4,6]C[6,6a]C[6a]C[4])(C[6]N[6]HH)(C[4]C[4]C)(H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2{1|C<4>,4|C<3>}	C[4,6](C[4,6]C[6,6a]C[6a]C[4])(C[6]N[6]HH)(C[4]C[4]C)(H){1|C<4>,1|S<4>,4|C<3>}	H(C[6]C[4,6]N[6]H)	109.8810	0.043	4	109.8810	0.002	4	109.8240	0.009	6	109.5323	0.147	10	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:3:1:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[6]N[4]C)(C[6]N[6]HH)(C[4]N[4]O)(H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[6]N[4]C)(C[6]N[6]HH)(C[4]N[4]O)(H){1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[4,6]N[6]H)	109.7100	0.007	2	109.7100	0.000	2	109.8240	0.009	6	109.5323	0.147	10	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:3:1:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:N[4]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]C)(H)2	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]N[6]HH)(N[4]C[4]C)(H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]N[6]HH)(N[4]C[4]C)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[4,6]N[6]H)	109.0960	0.033	2	109.0960	0.001	2	109.0948	0.001	4	109.5323	0.147	10	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:3:1:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:N[4]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]S)(H)2	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]N[6]HH)(N[4]C[4]C)(H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[4,6](C[4,6]C[6,6a]C[4]H)(C[6]N[6]HH)(N[4]C[4]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[4,6]N[6]H)	109.0935	0.028	2	109.0935	0.001	2	109.0948	0.001	4	109.5323	0.147	10	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6,6a]-3:H-1:H-1:	C[4,5,6]-4:C[6]-4:C[4]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[4,6](C[4,5,6]C[4,5]N[5,6]H)(C[6]C[6,6a]HH)(C[4]C[4,5]HH)(H)	H(C[6]C[6,6a]C[4,6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[4,6](C[4,5,6]C[4,5]N[5,6]H)(C[6]C[6,6a]HH)(C[4]C[4,5]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[4,6]H)	108.4805	0.008	4	108.4805	0.000	4	108.4805	0.000	4	109.4690	1.833	24	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]H)(H)2	C[4,6](C[4,5,6]C[4,5]C[5]C[6])(C[4]C[4,5]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4,6](C[4,5,6]C[4,5]C[5]C[6])(C[4]C[4,5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.3355	0.023	2	109.3355	0.001	2	109.3355	0.001	2	109.4690	1.833	24	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,6,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6]O)(H)2	C[4,6](C[4,6,6]C[4,6,6]C[6,6]C)(C[4,6]C[4,6,6]C[6]O)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	C[4,6](C[4,6,6]C[4,6,6]C[6,6]C)(C[4,6]C[4,6,6]C[6]O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	109.4690	1.833	24	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]O)(H)2	C[4,6](C[4,6,6]C[6,6]C[4]C[6])(C[4]C[4]CC)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[4,6](C[4,6,6]C[6,6]C[4]C[6])(C[4]C[4]CC)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[6]C[4,6]C[6]H)	111.8010	5.104	2	111.8010	26.050	2	110.3260	6.531	6	109.4690	1.833	24	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]O[6]O)(H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]O[6]O)(H)2{2|C<4>,3|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.5885	0.163	4	109.5885	0.026	4	110.3260	6.531	6	109.4690	1.833	24	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HO)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H)2{1|O<2>,1|W<7>,2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|W<7>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.0040	0.039	3	109.0040	0.002	3	109.0040	0.002	3	109.4690	1.833	24	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]N[6]HH)(H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]N[6]HH)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[4,6]N[6]H)	109.7920	0.044	2	109.7920	0.002	2	109.4896	0.057	8	109.4690	1.833	24	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]N[6]HH)(H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[4,6]N[6]H)	109.4995	0.025	2	109.4995	0.001	2	109.4896	0.057	8	109.4690	1.833	24	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]C[5]H)(C[6]N[6]HH)(H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]C[5]H)(C[6]N[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[4,6]N[6]H)	109.5030	0.016	2	109.5030	0.000	2	109.4896	0.057	8	109.4690	1.833	24	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:4:1:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]O[6]C)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]N[6]HH)(H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]O[6]C)(H)2{1|H<1>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[4,6]N[6]H)	109.1640	0.011	2	109.1640	0.000	2	109.4896	0.057	8	109.4690	1.833	24	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	4:4:4:3:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)2	C[4,6](C[4,6]C[4]N[6]C)(C[4]C[4]HH)(C[6]C[6]HH)(COO)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[4,6](C[4,6]C[4]N[6]C)(C[4]C[4]HH)(C[6]C[6]HH)(COO){2|H<1>,3|C<3>}	H(C[6]C[4,6]C[6]H)	108.7262	0.779	4	108.7262	0.606	4	108.7262	0.606	4	108.7262	0.606	4	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:1:	6:4:4:1:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[5x3,4,5x5,20x6]-6:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]O)(H)2	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,6]C[5x3,4,5x5,20x6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,6]C[5x3,4,5x5,20x6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,5|B<6>,5|H<1>}	H(C[6]C[4,6]C[6]H)	107.7130	0.049	2	107.7130	0.002	2	107.7130	0.002	2	107.7130	0.002	2	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:3:1:	3:4:4:1:	4:	C[4,6]-4:C[6a]-3:N[6]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[4,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	H(C[6]C[4,6]C[6a]N[6])	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,2|H<1>,6|C<3>}	C[4,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(C[6]C[6a]N[6]H)(H){2|H<1>,6|C<3>}	H(C[6]C[4,6]C[6a]N[6])	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:3:1:	4:4:4:3:	4:	C[4,6]-4:C[6a]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-4:C[4]-4:C-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]N[6]C)(C[6]C[6a]C[6]H)(C[4]C[4]HH)(COO)	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]N[6]C)(C[6]C[6a]C[6]H)(C[4]C[4]HH)(COO){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[4,6]C[6a]C[6])	106.6260	0.000	1	106.8990	0.149	2	106.8990	0.149	2	106.8990	0.149	2	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:3:1:	4:4:4:3:	4:	C[4,6]-4:C[6a]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-4:C[4]-4:C-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]N[6]C)(C[6]C[6a]C[6]H)(C[4]C[4]HH)(COO)	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]N[6]C)(C[6]C[6a]C[6]H)(C[4]C[4]HH)(COO){2|H<1>,5|C<3>}	H(C[6]C[4,6]C[6a]C[6])	107.1720	0.000	1	106.8990	0.149	2	106.8990	0.149	2	106.8990	0.149	2	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:4:1:	4:3:4:1:	4:	C[4,6]-4:C[6a]-3:C[6]-4:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[4,6](C[4,5,6]C[4,6a]C[5,6a]N[5,6])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,6|C<3>}	C[4,6](C[4,5,6]C[4,6a]C[5,6a]N[5,6])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|S<4>,3|H<1>,7|C<3>}	H(C[6]C[4,6]C[6a]C[6])	107.0340	0.000	1	107.0340	0.000	1	107.0340	0.000	1	107.0340	0.000	1	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:4:1:	4:4:3:1:	4:	C[4,6]-4:C[6a]-3:C[6]-4:H-1:	C[4]-4:C[6]-4:N[4,6]-3:H-1:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[4,6](C[4]C[6a]C[4]H)(C[6]C[6a]C[6]H)(N[4,6]C[4]O[6])(H)	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]N[4,6]C[4]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[4,6](C[4]C[6a]C[4]H)(C[6]C[6a]C[6]H)(N[4,6]C[4]O[6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[4,6]C[6a]C[6])	107.5700	0.000	1	107.5700	0.000	1	107.5700	0.000	1	107.5700	0.000	1	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:3:4:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-3:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]O)(CH3)(H)	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]HH)(C[6]C[6]CH)(OH)	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]O)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]HH)(C[6]C[6]CH)(OH){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]C)	106.9430	0.000	1	106.9430	0.000	1	106.9430	0.000	1	106.9430	0.000	1	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	3:3:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-3:N[4]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6])(N[4]C[6a]C[4])(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]N[4]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[4,6](C[4,6]C[4]C[6])(N[4]C[6a]C[4])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	110.6990	0.006	2	110.6990	0.000	2	110.6990	0.000	2	110.6990	0.000	2	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	3:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]C[6]O)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]C[6]O)(C[6]C[6]HH)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	110.2700	0.021	2	110.2700	0.000	2	110.9962	2.858	5	110.1546	1.859	11	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	3:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH)(H){2|C<3>,4|H<1>}	H(C[6]C[4,6]C[6]H)	110.1990	0.000	1	110.1990	0.000	1	110.9962	2.858	5	110.1546	1.859	11	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	3:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]CH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]CH)(C[6]C[6]HH)(H){1|C<3>,2|O<2>,3|H<1>}	H(C[6]C[4,6]C[6]H)	112.1210	2.686	2	112.1210	7.212	2	110.9962	2.858	5	110.1546	1.859	11	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	3:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]ClC)(H)2	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	109.0360	0.006	2	109.0360	0.000	2	109.4533	0.134	6	110.1546	1.859	11	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	3:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]CH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.8525	0.005	2	109.8525	0.000	2	109.4533	0.134	6	110.1546	1.859	11	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	3:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](N[4,6]C[6]S[4])(C[4]S[4]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,4|H<1>}	C[4,6](N[4,6]C[6]S[4])(C[4]S[4]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.4715	0.021	2	109.4715	0.000	2	109.4533	0.134	6	110.1546	1.859	11	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	3:4:4:2:	4:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[4,6,6]-3:C[4,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4,6]O)(C[5,6]C[5,6]C[5]C)(H)2	C[4,6](C[4,6,6]C[4,6,6]C[6,6])(C[4,6]C[4,6,6]C[6]H)(C[6]C[5,6]HH)(OH)	H(C[6]C[4,6]C[5,6]H)	C[6](C[4,6]C[4,6,6]C[4,6]O)(C[5,6]C[5,6]C[5]C)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[4,6](C[4,6,6]C[4,6,6]C[6,6])(C[4,6]C[4,6,6]C[6]H)(C[6]C[5,6]HH)(OH){1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[4,6]C[5,6]H)	109.9325	0.012	2	109.9325	0.000	2	109.9325	0.000	2	109.9325	0.000	2	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	3:4:4:4:	4:	C[4,6]-4:C[6]-4:F-1:H-1:	C[6,6a]-3:C[4]-4:C[4]-4:C[6]-4:	C[6]-4:	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(F)(H)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)(C[4]C[4]HN)(C[6]C[6]FH)	H(C[6]C[4,6]C[6]F)	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(F)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]HH)(C[4]C[4]HN)(C[6]C[6]FH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[4,6]C[6]F)	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	109.3633	0.030	20	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	3:4:4:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-3:C[4]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,5]C[6])(C[4]C[4,5]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,5]C[6])(C[4]C[4,5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.8600	0.000	1	109.8600	0.000	1	109.8600	0.000	1	109.3633	0.030	20	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	3:4:4:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[4]-4:C[4]-4:C[6]-4:	C[6]-4:	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(H)2	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]HH)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]CH)(C[4]C[4]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.1980	0.027	2	109.1980	0.001	2	109.1980	0.001	2	109.3633	0.030	20	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	3:4:4:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	N[4,6]-3:C[4]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]C)(C[6]C[6]HH)(H)2	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HN)(C[6]C[6]HH)(CH3)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]HN)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.5525	0.011	2	109.5525	0.000	2	109.5525	0.000	2	109.3633	0.030	20	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	3:4:4:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2	C[4,6](N[4]C[6a]C[4])(C[4]C[4]HO)(C[6]C[6]HH)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[4,6](N[4]C[6a]C[4])(C[4]C[4]HO)(C[6]C[6]HH)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.3557	0.195	3	109.3328	0.013	14	109.3328	0.013	14	109.3633	0.030	20	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	3:4:4:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	N[4]-3:C[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2	C[4,6](N[4]C[6a]C[4])(C[4]C[4]HO)(C[6]C[6]HH)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[4,6](N[4]C[6a]C[4])(C[4]C[4]HO)(C[6]C[6]HH)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.3265	0.093	11	109.3328	0.013	14	109.3328	0.013	14	109.3633	0.030	20	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:3:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[4]C[4,5]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[4]C[4,5]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	109.2939	0.915	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:3:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:N[4]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5,6]C[4,5]N[5,6]C[6a])(N[4]C[4,5]O)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[4,6](C[4,5,6]C[4,5]N[5,6]C[6a])(N[4]C[4,5]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[4,6]C[6]H)	109.5690	0.014	2	109.5690	0.000	2	109.4086	0.022	5	109.2939	0.915	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:3:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:N[4]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5,6]C[5,6]C[4]O[5])(N[4]C[6a]C[4])(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[4,6](C[4,5,6]C[5,6]C[4]O[5])(N[4]C[6a]C[4])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,1|S<3>,2|C<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.3017	0.044	3	109.3017	0.002	3	109.4086	0.022	5	109.2939	0.915	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:3:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.0275	0.126	4	109.0275	0.016	4	109.0275	0.016	4	109.2939	0.915	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:3:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2	C[4,6](C[4,6]C[4,6a]C[4,6]H)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4,6]C[4,6a]C[4,6]H)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	108.7905	2.498	2	108.7905	6.241	2	108.4485	4.164	4	109.2939	0.915	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:3:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2	C[4,6](C[4,6]C[4,6a]C[4,6]O)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[4,6](C[4,6]C[4,6a]C[4,6]O)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[4,6]C[6]H)	108.1065	2.405	2	108.1065	5.783	2	108.4485	4.164	4	109.2939	0.915	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:3:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.2200	0.058	2	109.2200	0.003	2	109.2200	0.003	2	109.2939	0.915	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:3:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4]-4:N[4,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4]C[6a]C[4]O)(N[4,6]C[4]C[6])(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[4,6](C[4]C[6a]C[4]O)(N[4,6]C[4]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[4,6]C[6]H)	110.0257	0.030	6	110.0257	0.001	6	110.0257	0.001	6	109.2939	0.915	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:3:4:2:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[4,6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(H)2	C[4,6](C[3,4,6]C[3,6]C[4,6]C[3])(C[4,6]C[4,6]C[6])(C[6]C[6]HH)(OC)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	C[4,6](C[3,4,6]C[3,6]C[4,6]C[3])(C[4,6]C[4,6]C[6])(C[6]C[6]HH)(OC){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]H)	109.9983	0.356	3	109.9983	0.127	3	109.9983	0.127	3	108.5544	4.938	5	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:3:4:2:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-3:C[6]-4:S-2:	C[6]-4:	C[6](C[4,6]C[4,6]2S)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]O)(C[4,6]C[4,6]C[6])(C[6]C[6]HH)(SC)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2S)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[6]O)(C[4,6]C[4,6]C[6])(C[6]C[6]HH)(SC){1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]H)	106.3885	1.965	2	106.3885	3.861	2	106.3885	3.861	2	108.5544	4.938	5	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:Br-1:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(Br)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]BrH)(O[4]C[4])(H)	H(C[6]C[4,6]C[6]Br)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(Br)(H){2|C<3>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]BrH)(O[4]C[4])(H){1|C<3>,1|O<1>,3|H<1>}	H(C[6]C[4,6]C[6]Br)	109.4300	0.000	1	109.4300	0.000	1	109.4300	0.000	1	108.7234	0.187	26	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6,6]HH)(H)2	C[4,6](C[4,6]C[6,6]C[4]C)(C[6]C[6]HH)(O[4]C[4])(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	C[4,6](C[4,6]C[6,6]C[4]C)(C[6]C[6]HH)(O[4]C[4])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[4,6]C[6]H)	108.4340	0.000	1	108.4340	0.000	1	108.6952	0.174	25	108.7234	0.187	26	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]FH)(H)2	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H){1|F<1>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	108.6322	0.335	4	108.6322	0.112	4	108.6952	0.174	25	108.7234	0.187	26	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]N[6]H)(C[6]C[6]HH)(O[4]C[4])(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[4,6](C[4,6]C[4]N[6]H)(C[6]C[6]HH)(O[4]C[4])(H){2|C<3>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.5330	0.047	2	109.5330	0.002	2	108.6952	0.174	25	108.7234	0.187	26	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	108.6697	0.369	16	108.6306	0.133	18	108.6952	0.174	25	108.7234	0.187	26	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[6]HH)(O[4]C[4])(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	108.3170	0.027	2	108.6306	0.133	18	108.6952	0.174	25	108.7234	0.187	26	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:3:1:	4:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]H)(H)2	C[4,6](C[4,6]C[5,6]O[4]H)(C[6]C[5,6]HH)(C[4]O[4]O)(H)	H(C[6]C[4,6]C[5,6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[4,6](C[4,6]C[5,6]O[4]H)(C[6]C[5,6]HH)(C[4]O[4]O)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[5,6]H)	108.7875	0.013	2	108.7875	0.000	2	108.7875	0.000	2	109.0602	0.460	10	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:3:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]O)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]O)(H){3|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.9910	0.008	2	109.9910	0.000	2	109.1284	0.565	8	109.0602	0.460	10	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:3:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]C)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]C)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.1090	0.081	2	109.2368	0.024	4	109.1284	0.565	8	109.0602	0.460	10	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:3:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]C)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.3645	0.023	2	109.2368	0.024	4	109.1284	0.565	8	109.0602	0.460	10	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:3:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]H)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(C[4]C[4]H)(H){2|C<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	108.0490	0.119	2	108.0490	0.014	2	109.1284	0.565	8	109.0602	0.460	10	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:3:2:	4:	C[5,6,6]-4:C[4,6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-3:O-2:	C[6]-4:	C[6](C[5,6,6]C[5,5,3x6]C[5,6,6]H)(C[4,6]C[4,6]C[4]O)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[5,6,6]HH)(C[4]C[4]H)(OC)	H(C[6]C[5,6,6]C[4,6]H)	C[6](C[5,6,6]C[5,5,3x6]C[5,6,6]H)(C[4,6]C[4,6]C[4]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[5,6,6]HH)(C[4]C[4]H)(OC){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[4,6]H)	109.2400	0.000	1	109.2400	0.000	1	109.2400	0.000	1	109.2400	0.000	1	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:3:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[6a]C[4])(C[6]C[6,6]HH)(H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[6a]C[4])(C[6]C[6,6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[4,6]C[6]H)	109.3005	0.581	2	109.3005	0.337	2	109.3005	0.337	2	109.1787	0.134	4	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:3:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:N[4]-3:C-4:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]C)(C[6]N[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(N[4]C[4]C)(CHHO)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]N[4]C)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HH)(N[4]C[4]C)(CHHO){1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.0570	0.065	2	109.0570	0.004	2	109.0570	0.004	2	109.1787	0.134	4	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]O[5]2)(H)2	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[5,6]HH)(C[4]C[4]HH)(H)	H(C[6]C[4,6]C[5,6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[5,6]HH)(C[4]C[4]HH)(H){1|C<4>,1|S<4>,2|O<2>,3|H<1>}	H(C[6]C[4,6]C[5,6]H)	108.4720	0.006	2	108.4720	0.000	2	108.4720	0.000	2	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:Cl-1:H-1:	C[4,6]-4:C[6]-4:N[4]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(C[6]N[6]CH)(Cl)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]ClH)(N[4]C[4]CH)(H)	H(C[6]C[4,6]C[6]Cl)	C[6](C[4,6]C[4,6]N[4]H)(C[6]N[6]CH)(Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]ClH)(N[4]C[4]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[4,6]C[6]Cl)	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[3,4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[3,4,6]C[4,6]H)(C[6]C[6]HH)(H)2	C[4,6](C[3,4,6]C[3,6]C[4,6]O[3])(C[4,6]C[4,6]C[6]O)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[3,4,6]C[4,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[4,6](C[3,4,6]C[3,6]C[4,6]O[3])(C[4,6]C[4,6]C[6]O)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]H)	107.6665	1.218	2	107.6665	1.484	2	107.6665	1.484	2	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5,6,6]C[4,5,6]N[5,6]C[6])(C[4]C[4,5,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[4,6](C[4,5,6,6]C[4,5,6]N[5,6]C[6])(C[4]C[4,5,6]HH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,5]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,5]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5,6]C[4,5,5]C[5,6]H)(C[4,5]C[4,5,5]C[5]C)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[4,6](C[4,5,6]C[4,5,5]C[5,6]H)(C[4,5]C[4,5,5]C[5]C)(C[6]C[6]HH)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	108.8165	2.142	2	108.8165	4.587	2	108.8165	4.587	2	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2	C[4,6](C[4,5,6]C[4,5,6]C[5,6]H)(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[4,6](C[4,5,6]C[4,5,6]C[5,6]H)(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	108.7235	0.036	2	108.7956	0.010	5	108.9704	0.210	12	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2	C[4,6](C[4,5,6]C[4,5,6]C[5,6]H)(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[4,6](C[4,5,6]C[4,5,6]C[5,6]H)(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[4,6]C[6]H)	108.8437	0.100	3	108.7956	0.010	5	108.9704	0.210	12	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5,6]C[4,5,6]C[5]C[6])(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	C[4,6](C[4,5,6]C[4,5,6]C[5]C[6])(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,4|C<4>,8|H<1>}	H(C[6]C[4,6]C[6]H)	108.6163	0.187	3	108.6163	0.035	3	108.9704	0.210	12	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5,6]C[4,5,6]C[5]N[6])(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[4,6](C[4,5,6]C[4,5,6]C[5]N[6])(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]H)	109.0270	0.020	2	109.0270	0.000	2	108.9704	0.210	12	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]N[6]HH)(H)2	C[4,6](C[4,5,6]C[4,5,6]C[5]C[6])(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,6](C[4,5,6]C[4,5,6]C[5]C[6])(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|N<3>,6|H<1>}	H(C[6]C[4,6]C[6]H)	109.8820	0.028	2	109.8820	0.001	2	108.9704	0.210	12	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[5,6]HH)(H)2	C[4,6](C[4,5,6]C[4,5]C[5,6]C)(C[4]C[4,5]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]C)(C[4]C[4,5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[4,6]C[6]H)	107.8970	2.077	2	107.8970	4.316	2	108.8355	0.660	13	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(H)2	C[4,6](C[4,5,6]C[5,6]C[4]C[5])(C[4]C[4]CO)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,4|C<4>}	C[4,6](C[4,5,6]C[5,6]C[4]C[5])(C[4]C[4]CO)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	H(C[6]C[4,6]C[6]H)	109.0116	0.054	5	109.0116	0.003	5	108.8355	0.660	13	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5,6]C[4,5]C[5]C[6])(C[4]C[4,5]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[4,6](C[4,5,6]C[4,5]C[5]C[6])(C[4]C[4,5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	108.5350	0.038	2	108.5350	0.001	2	108.8355	0.660	13	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5,6]C[4,5]N[5,6]C)(C[4]C[4,5]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[4,6](C[4,5,6]C[4,5]N[5,6]C)(C[4]C[4,5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	108.7740	0.013	2	108.7740	0.000	2	108.8355	0.660	13	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5,6]C[4,5]N[5,6]H)(C[4]C[4,5]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[4,6](C[4,5,6]C[4,5]N[5,6]H)(C[4]C[4,5]HH)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.6960	0.023	2	109.6960	0.001	2	108.8355	0.660	13	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]C[5,5]C)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[4,6](C[4,5]C[4,5]C[5,5]C)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[4,6]C[6]H)	107.7045	2.265	2	107.7045	5.130	2	107.7096	4.518	8	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]C[5]O)(C[4,6]C[4,5]C[6]O)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[4,6](C[4,5]C[4,5]C[5]O)(C[4,6]C[4,5]C[6]O)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]H)	106.0410	4.138	2	107.0605	7.094	4	107.7096	4.518	8	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]C[5]O)(C[4,6]C[4,5]C[6]O)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[4,6](C[4,5]C[4,5]C[5]O)(C[4,6]C[4,5]C[6]O)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]H)	108.0800	0.008	2	107.0605	7.094	4	107.7096	4.518	8	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]O[5]Cl)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[4,6](C[4,5]C[4,5]O[5]Cl)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.0130	0.369	2	109.0130	0.136	2	107.7096	4.518	8	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	106.7330	2.114	2	106.7330	4.470	2	109.2891	2.122	14	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,4|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	108.8415	0.070	4	108.8415	0.005	4	109.2891	2.122	14	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6,6]C[4,6]C[6]2)(C[4]C[4,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6]2)(C[4]C[4,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	110.2562	1.029	4	110.2562	1.058	4	109.2891	2.122	14	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]N[6]HH)(H)2	C[4,6](C[4,6,6]C[4,6]C[6]O[6])(C[4]C[4,6]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6]O[6])(C[4]C[4,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[4,6]C[6]H)	110.0475	0.058	4	110.0475	0.003	4	109.2891	2.122	14	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:B[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]B[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]N[4,6]C[6]H)(B[4]N[4,6]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]B[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[4,6](C[4,6]N[4,6]C[6]H)(B[4]N[4,6]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[4,6]C[6]H)	110.1090	0.021	2	110.1090	0.000	2	110.1090	0.000	2	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[4,6]C[6]H)	109.2570	0.025	2	108.7458	0.349	4	108.1891	2.897	18	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[4,6]C[6]H)	108.2345	0.013	2	108.7458	0.349	4	108.1891	2.897	18	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[4,6]C[6]H)	109.1767	0.423	4	109.2477	0.150	6	108.1891	2.897	18	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HH)(H){2|O<1>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.3895	0.391	2	109.2477	0.150	6	108.1891	2.897	18	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]O)2(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[6]O)2(C[6]C[6]HH)(H){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]H)	107.1169	2.080	8	107.1169	4.326	8	108.1891	2.897	18	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]CO)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]C[6]HH)(Cl)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]CO)(H)2{2|C<4>,5|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]C[6]HH)(Cl){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	108.4952	0.163	4	108.4952	0.026	4	108.4952	0.026	4	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CC)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|C<2>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]C[6]HH)(H){1|O<1>,5|C<4>}	H(C[6]C[4,6]C[6]H)	109.3388	0.027	4	109.3388	0.001	4	109.4073	0.392	28	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2	C[4,6](C[4,6]C[4,5]C[6]H)(C[4]C[4,5]CC)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[4,6](C[4,6]C[4,5]C[6]H)(C[4]C[4,5]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[4,6]C[6]H)	110.8840	0.042	2	110.8840	0.002	2	109.4073	0.392	28	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2	C[4,6](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[4,6](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[4,6]C[6]H)	110.2970	0.037	2	110.2970	0.001	2	109.4073	0.392	28	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]Cl)(C[4]C[4]ClH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]Cl)(C[4]C[4]ClH)(C[6]C[6]HH)(H){1|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]H)	109.3880	0.239	4	109.3880	0.057	4	109.4073	0.392	28	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]BrC)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]BrC)(C[6]C[6]HH)(H){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.1900	0.775	4	109.1900	0.600	4	109.4073	0.392	28	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[4,6]C[6]H)	109.4320	0.013	2	109.4320	0.000	2	109.4073	0.392	28	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]HH)(H){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	108.8250	0.016	2	109.1448	0.136	4	109.4073	0.392	28	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.4645	0.012	2	109.1448	0.136	4	109.4073	0.392	28	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]O)(C[4]C[4]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]O)(C[4]C[4]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<3>,5|H<1>}	H(C[6]C[4,6]C[6]H)	108.5165	0.005	2	108.5165	0.000	2	109.4073	0.392	28	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]HH)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|H<1>}	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	109.1505	0.009	2	109.1505	0.000	2	109.4073	0.392	28	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2{1|H<1>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[4,6]C[6]H)	109.2990	0.113	2	109.2990	0.013	2	109.4073	0.392	28	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:N[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4,6]H)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]N[4,6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	C[4,6](C[4,6]B[4]C[6]H)(N[4,6]B[4]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,8|H<1>}	H(C[6]C[4,6]C[6]H)	110.8915	0.117	2	110.8915	0.014	2	110.8915	0.014	2	108.8947	1.672	109	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:C[4]-4:C[6]-4:O[4]-2:	C[6]-4:	C[6](C[4,6]C[4]C[6]O[4])(C[5,6]C[5,6]C[5]H)(H)2	C[4,6](C[6]C[5,6]HH)(C[4]C[4]HH)(C[6]C[6]HH)(O[4]C[4])	H(C[6]C[4,6]C[5,6]H)	C[6](C[4,6]C[4]C[6]O[4])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[4,6](C[6]C[5,6]HH)(C[4]C[4]HH)(C[6]C[6]HH)(O[4]C[4]){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[5,6]H)	108.8010	0.147	2	108.8010	0.022	2	108.8010	0.022	2	108.5487	3.073	27	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[3,4,6]C[6]H)(C[4,6]C[3,4,6]O[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[4,6](C[4,6]C[3,4,6]C[6]H)(C[4,6]C[3,4,6]O[6]H)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	107.8460	1.874	2	107.8460	3.511	2	108.9548	4.442	10	108.5487	3.073	27	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]O[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]O[6]H)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	110.0260	3.429	2	110.0260	11.761	2	108.9548	4.442	10	108.5487	3.073	27	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HH)(OH)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]H)	110.0040	0.490	4	110.0040	0.240	4	108.9548	4.442	10	108.5487	3.073	27	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]S)(C[4,6]C[4,6]O[6]H)(C[6]C[6]HH)(OH)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	C[4,6](C[4,6]C[4,6]C[6]S)(C[4,6]C[4,6]O[6]H)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	106.8940	2.517	2	106.8940	6.337	2	108.9548	4.442	10	108.5487	3.073	27	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HS)(C[6]C[6]HH)(OH)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]HH)(H)2{1|S<4>,2|C<4>,2|H<1>,2|O<2>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HS)(C[6]C[6]HH)(OH){1|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]H)	108.4870	0.013	2	108.4870	0.000	2	108.5392	0.004	4	108.5487	3.073	27	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HS)(C[6]C[6]HH)(OH)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)2{1|S<3>,2|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HS)(C[6]C[6]HH)(OH){1|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]H)	108.5915	0.033	2	108.5915	0.001	2	108.5392	0.004	4	108.5487	3.073	27	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:O[4]-2:	C[6]-4:	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[4,6]HH)(H)2	C[4,6](C[4]C[4]HH)(C[6]C[6]HH)2(O[4]C[4])	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[4,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[4,6](C[4]C[4]HH)(C[6]C[6]HH)2(O[4]C[4]){1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[4,6]C[6]H)	108.4297	0.684	4	108.4297	0.468	4	108.8180	0.414	8	108.5487	3.073	27	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:O[4]-2:	C[6]-4:	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[6]HH)(H)2	C[4,6](C[4]C[4]CH)(C[6]C[6]HH)2(O[4]C[4])	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[4,6](C[4]C[4]CH)(C[6]C[6]HH)2(O[4]C[4]){1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.2062	0.310	4	109.2062	0.096	4	108.8180	0.414	8	108.5487	3.073	27	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[4]-4:C[6]-4:O[4]-2:	C[6]-4:	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[5,6]HH)(H)2	C[4,6](C[6]C[5,6]HH)(C[4]C[4]HH)(C[6]C[6]HH)(O[4]C[4])	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[4,6](C[6]C[5,6]HH)(C[4]C[4]HH)(C[6]C[6]HH)(O[4]C[4]){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	105.9530	4.352	2	105.9530	18.936	2	105.9530	18.936	2	108.5487	3.073	27	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:H-1:O-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)(O)	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]CH)(C[6]C[6]HO)(OH)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)(O){1|O<2>,2|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]CH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]O)	107.0580	0.000	1	107.0580	0.000	1	107.0580	0.000	1	108.5487	3.073	27	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:3:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[6]-4:C[6]-4:C[4]-3:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]C[6])(C[6]C[6]HH)(H)2	C[4,6](C[4,5,6]C[5,5,6]C[5,6]C[4])(C[6]C[6]HH)2(C[4]C[4]O)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[4,6](C[4,5,6]C[5,5,6]C[5,6]C[4])(C[6]C[6]HH)2(C[4]C[4]O){1|O<1>,4|C<4>,7|H<1>}	H(C[6]C[4,6]C[6]H)	108.2750	0.458	4	108.2750	0.210	4	108.2750	0.210	4	108.8867	0.367	23	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:3:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:C[4]-3:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(C[6]C[6]CH)(H)2	C[4,6](C[4]C[4]HH)(C[6]C[6]HH)2(C[4]C[4]O)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]2C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[4,6](C[4]C[4]HH)(C[6]C[6]HH)2(C[4]C[4]O){2|C<4>,5|H<1>}	H(C[6]C[4,6]C[6]H)	109.3327	0.044	3	109.3327	0.002	3	109.3669	0.039	7	108.8867	0.367	23	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:3:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:C[4]-3:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(C[6]C[6]HH)(H)2	C[4,6](C[4]C[4]HH)(C[6]C[6]HH)2(C[4]C[4]O)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]2C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[4,6](C[4]C[4]HH)(C[6]C[6]HH)2(C[4]C[4]O){2|C<4>,5|H<1>}	H(C[6]C[4,6]C[6]H)	109.3925	0.273	4	109.3925	0.074	4	109.3669	0.039	7	108.8867	0.367	23	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:3:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[4]-4:C[6]-4:C[4]-3:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(C[6]C[6,6]HH)(H)2	C[4,6](C[6]C[6,6]HH)(C[4]O[4]CH)(C[6]C[6]HH)(C[4]O[4]O)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]2C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[4,6](C[6]C[6,6]HH)(C[4]O[4]CH)(C[6]C[6]HH)(C[4]O[4]O){2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	109.1792	0.324	4	109.1792	0.105	4	109.1792	0.105	4	108.8867	0.367	23	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:3:	4:	C[4,6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[4]-4:C[4]-3:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(Si[6]O[6]CC)(H)2	C[4,6](C[6]Si[6]HH)2(C[4]C[4]HO)(C[4]C[4]O)	H(C[6]C[4,6]Si[6]H)	C[6](C[4,6]C[4]2C[6])(Si[6]O[6]CC)(H)2{1|Si<4>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[4,6](C[6]Si[6]HH)2(C[4]C[4]HO)(C[4]C[4]O){1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[4,6]Si[6]H)	108.0343	0.156	4	108.0343	0.024	4	108.0343	0.024	4	108.8867	0.367	23	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:3:	4:	C[6,6]-4:C[4,6]-4:H-1:H-1:	C[6]-4:C[4]-4:C[6]-4:C[4]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4]2C[6])(H)2	C[4,6](C[6]C[6,6]HH)(C[4]O[4]CH)(C[6]C[6]HH)(C[4]O[4]O)	H(C[6]C[4,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4]2C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[4,6](C[6]C[6,6]HH)(C[4]O[4]CH)(C[6]C[6]HH)(C[4]O[4]O){2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6,6]H)	109.2182	0.069	4	109.2182	0.005	4	109.2182	0.005	4	108.8867	0.367	23	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[4,6]-4:C[6]-4:C[4]-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[5,6]HH)(C[4]C[4]HH)(CH3)	H(C[6]C[4,6]C[5,6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,4|C<4>,5|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[5,6]HH)(C[4]C[4]HH)(CH3){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[4,6]C[5,6]H)	108.2470	0.745	2	108.2470	0.555	2	108.2470	0.555	2	108.9954	2.844	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]C[5]N)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[4,6](C[4,5]C[4,5]C[5]N)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[4,6]C[6]H)	108.9665	0.019	2	108.9665	0.000	2	108.9665	0.000	2	108.9954	2.844	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5]C[4]C[6])(C[6]C[6]HH)(H)2	C[4,6](C[4,5]C[4,5]O[5]H)(C[4]C[4,5]HH)(C[6]C[6]HH)2	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,7|H<1>}	C[4,6](C[4,5]C[4,5]O[5]H)(C[4]C[4,5]HH)(C[6]C[6]HH)2{1|B<3>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	109.3575	0.129	2	109.3575	0.017	2	109.3575	0.017	2	108.9954	2.844	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6,6]-4:C[4]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]C)(C[6]C[6]HH)(H)2	C[4,6](C[4,6,6]C[6,6]C[4]O[6])(C[4]C[4]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[4,6](C[4,6,6]C[6,6]C[4]O[6])(C[4]C[4]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[4,6]C[6]H)	108.8203	0.077	4	108.8203	0.006	4	108.8203	0.006	4	108.9954	2.844	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,6]2C)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4,6]C[6]O)2(C[6]C[6]HH)(CH3)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[6]O)2(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[4,6]C[6]H)	105.7850	5.127	2	105.7850	26.281	2	105.7850	26.281	2	108.9954	2.844	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2	C[4,6](C[4,6]C[4]C[6]O)(C[4]C[4]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]O)(C[4]C[4]HH)(C[6]C[6]HH)(CH3){1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	108.5120	0.013	2	108.5120	0.000	2	109.7906	0.490	10	108.9954	2.844	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[4,6]C[6]H)	110.2730	0.013	2	110.2730	0.000	2	109.7906	0.490	10	108.9954	2.844	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[4,6]-4:C[4]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[4,6]C[6]H)	110.0560	0.223	6	110.0560	0.050	6	109.7906	0.490	10	108.9954	2.844	22	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:2:1:	4:4:2:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:O[4]-2:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H)	C[4,6](C[4,6]C[4]O[6]H)(C[6]C[6]HO)(O[4]C[4])(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C[4,6](C[4,6]C[4]O[6]H)(C[6]C[6]HO)(O[4]C[4])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[4,6]C[6]O)	109.3598	0.052	4	109.3598	0.003	4	109.3598	0.003	4	109.3598	0.003	4	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:2:1:	4:4:3:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:C[4]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	C[4,6](C[4,6]C[4]O[6]H)(C[6]C[6]HO)(C[4]C[4]O)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]O[6]H)(C[6]C[6]HO)(C[4]C[4]O)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[4,6]C[6]O)	110.6755	0.936	2	110.6755	0.875	2	110.6755	0.875	2	110.6755	0.875	2	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:2:1:	4:4:3:2:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:N[4]-3:C-2:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HO)(N[4]C[4]C)(CC)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HO)(N[4]C[4]C)(CC){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[4,6]C[6]O)	108.4090	0.000	2	108.4090	0.000	2	108.4487	0.005	3	108.4487	0.005	3	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:2:1:	4:4:3:2:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:N[4]-3:C-2:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HO)(N[4]C[4]C)(CC)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[6]HO)(N[4]C[4]C)(CC){1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[4,6]C[6]O)	108.5280	0.000	1	108.5280	0.000	1	108.4487	0.005	3	108.4487	0.005	3	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,6]-4:C[5,6]-4:O-2:H-1:	C[4,6]-4:C[6]-4:C[4]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H)	C[4,6](C[4,6]C[4]C[6]C)(C[6]C[5,6]HO)(C[4]C[4]HO)(H)	H(C[6]C[4,6]C[5,6]O)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H){1|O<2>,4|H<1>,5|C<4>}	C[4,6](C[4,6]C[4]C[6]C)(C[6]C[5,6]HO)(C[4]C[4]HO)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[5,6]O)	111.2200	0.000	1	111.2200	0.000	1	111.2200	0.000	1	109.9776	4.746	7	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,5,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H)	C[4,6](C[4,5,6]C[5,6]C[4]C[5])(C[4]C[4]HH)(C[6]C[6]HO)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	C[4,6](C[4,5,6]C[5,6]C[4]C[5])(C[4]C[4]HH)(C[6]C[6]HO)(H){1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[4,6]C[6]O)	109.0180	0.000	1	109.0180	0.000	1	109.0180	0.000	1	109.9776	4.746	7	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H)	C[4,6](C[4,5]C[4,5,5]C[5]C)(C[4,6]C[4,5,5]C[6]H)(C[6]C[6]HO)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[4,6](C[4,5]C[4,5,5]C[5]C)(C[4,6]C[4,5,5]C[6]H)(C[6]C[6]HO)(H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[4,6]C[6]O)	109.1080	0.000	1	109.1080	0.000	1	109.1080	0.000	1	109.9776	4.746	7	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]ClH)(C[6]C[6]HO)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]ClH)(C[6]C[6]HO)(H){1|Cl<1>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[4,6]C[6]O)	111.1815	4.406	2	111.1815	19.413	2	110.1243	8.389	4	109.9776	4.746	7	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]C[6]HO)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]HH)(C[6]C[6]HO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[4,6]C[6]O)	109.0670	1.133	2	109.0670	1.283	2	110.1243	8.389	4	109.9776	4.746	7	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:2:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H)	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HO)(OH)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]O)	108.1940	0.000	1	108.1940	0.000	1	109.3460	2.654	2	108.5119	5.271	8	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:2:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H)	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HO)(OS)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H){3|C<4>,4|H<1>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]HO)(OS){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]O)	110.4980	0.000	1	110.4980	0.000	1	109.3460	2.654	2	108.5119	5.271	8	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:2:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]O[6]H)(C[6]C[6]HO)(OH)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]O[6]H)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]O)	105.4980	0.000	1	105.4980	0.000	1	108.2563	5.892	3	108.5119	5.271	8	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:2:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[4,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HO)(OH)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]O)	109.6355	0.610	2	109.6355	0.372	2	108.2563	5.892	3	108.5119	5.271	8	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:2:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H)	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]CH)(C[6]C[6]HO)(OH)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]O[6]H)(C[4]C[4]CH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]O)	108.2113	3.209	3	108.2113	10.300	3	108.2113	10.300	3	108.5119	5.271	8	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:3:1:	4:3:4:1:	4:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[4,6](C[4,5,6]C[4,6a]N[5,6]C[5])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[4,6](C[4,5,6]C[4,6a]N[5,6]C[5])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|H<1>,3|C<4>,7|C<3>}	H(C[6]C[4,6]C[6a]C[6])	106.5063	0.316	3	106.2530	0.323	4	106.2530	0.323	4	106.2530	0.323	4	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:3:1:	4:3:4:1:	4:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[4,6](C[4,5,6]C[4,6a]N[5,6]C[5])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[4,6](C[4,5,6]C[4,6a]N[5,6]C[5])(C[4,6a]C[4,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|H<1>,4|C<4>,6|C<3>}	H(C[6]C[4,6]C[6a]C[6])	105.4930	0.000	1	106.2530	0.323	4	106.2530	0.323	4	106.2530	0.323	4	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[4]-4:C[6]-4:C[4,6]-3:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[4,6](C[4]C[6a]C[4]O)(C[6]C[6a]C[6]H)(C[4,6]C[4]C[6])(H)	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[4,6](C[4]C[6a]C[4]O)(C[6]C[6a]C[6]H)(C[4,6]C[4]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[4,6]C[6a]C[6])	105.1080	0.000	1	105.1080	0.000	1	105.1080	0.000	1	105.1080	0.000	1	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,5]-4:C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H)	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]C)	107.5895	0.016	2	107.5895	0.000	2	107.5895	0.000	2	107.5140	0.319	4	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H)	C[4,6](C[4,6]C[6,6a]C[4]H)(C[4]C[4]HH)(C[6]C[6]CH)(H)	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,6]C[6,6a]C[4]H)(C[4]C[4]HH)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[4,6]C[6]C)	106.7550	0.000	1	106.7550	0.000	1	107.4385	0.934	2	107.5140	0.319	4	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H)	C[4,6](C[4,6]C[6,6a]C[4]O)(C[4]C[4]HH)(C[6]C[6]CH)(H)	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[4,6](C[4,6]C[6,6a]C[4]O)(C[4]C[4]HH)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[4,6]C[6]C)	108.1220	0.000	1	108.1220	0.000	1	107.4385	0.934	2	107.5140	0.319	4	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:4:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H)	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC)	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[5]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC){2|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]C)	104.4900	0.000	1	104.4900	0.000	1	106.4313	1.691	12	106.4313	1.691	12	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:4:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC)	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,4|H<1>}	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]C)	106.4785	0.078	2	106.6349	1.601	10	106.4313	1.691	12	106.4313	1.691	12	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:4:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H)	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC)	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,2|O<2>,4|H<1>}	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]HH)(C[6]C[6]CH)(OC){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]C)	106.6740	1.432	8	106.6349	1.601	10	106.4313	1.691	12	106.4313	1.691	12	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	4:4:4:1:	4:4:4:2:	4:	C[4,6]-4:C[6]-4:C-4:H-1:	C[4,6]-4:C[4]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(CH3)(H)	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[4]HS)(C[6]C[6]CH)(OH)	H(C[6]C[4,6]C[6]C)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(CH3)(H){1|S<4>,3|C<4>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[4]HS)(C[6]C[6]CH)(OH){1|C<4>,6|H<1>}	H(C[6]C[4,6]C[6]C)	106.3370	0.000	1	106.3370	0.000	1	106.4313	1.691	12	106.4313	1.691	12	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	5:4:3:1:	6:4:4:3:	4:	C[3x3,4,3x5,14x6]-5:C[4,6]-4:C[6]-3:H-1:	C[5x3,4,5x5,20x6]-6:C[6]-4:C[4]-4:C[6]-3:	C[6]-4:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H)	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[3x3,4,3x5,14x6]C[6]H)(C[4]C[5x3,4,5x5,20x6]HH)(C[6]C[6]H)	H(C[6]C[3x3,4,3x5,14x6]C[4,6]C[6])	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|C<6>,8|H<1>,9|B<6>}	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[3x3,4,3x5,14x6]C[6]H)(C[4]C[5x3,4,5x5,20x6]HH)(C[6]C[6]H){1|C<3>,6|H<1>,9|B<6>}	H(C[6]C[3x3,4,3x5,14x6]C[4,6]C[6])	106.9250	0.000	1	106.9250	0.000	1	106.9250	0.000	1	106.9250	0.000	1	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	6:4:1:1:	4:4:3:4:	4:	C[5x3,5x5,21x6]-6:C[4,6]-4:H-1:H-1:	C[6]-4:C[4,6]-4:C[4,6]-3:C-4:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2C)(H)2	C[4,6](C[6]C[5x3,5x5,21x6]HH)(C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6])(CCHH)	H(C[6]C[5x3,5x5,21x6]C[4,6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2C)(H)2{2|C<3>,2|C<4>,4|H<1>,5|B<6>}	C[4,6](C[6]C[5x3,5x5,21x6]HH)(C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6])(CCHH){1|C<3>,1|C<4>,2|C<6>,2|H<1>,4|B<6>}	H(C[6]C[5x3,5x5,21x6]C[4,6]H)	108.7170	0.036	4	108.7170	0.001	4	108.7870	0.013	6	108.7870	0.013	6	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	6:4:1:1:	4:4:3:4:	4:	C[5x3,5x5,21x6]-6:C[4,6]-4:H-1:H-1:	C[6]-4:C[4,6]-4:C[4,6]-3:C-4:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2C)(H)2	C[4,6](C[6]C[5x3,5x5,21x6]HH)(C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6])(CC[6a]HH)	H(C[6]C[5x3,5x5,21x6]C[4,6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2C)(H)2{2|C<3>,2|C<4>,4|H<1>,5|B<6>}	C[4,6](C[6]C[5x3,5x5,21x6]HH)(C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]C[6])(CC[6a]HH){1|C<3>,1|C<4>,2|C<6>,2|H<1>,4|B<6>}	H(C[6]C[5x3,5x5,21x6]C[4,6]H)	108.9270	0.030	2	108.9270	0.001	2	108.7870	0.013	6	108.7870	0.013	6	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4,6]	H	6:4:3:1:	6:4:4:3:	4:	C[5x3,5x5,20x6]-6:C[4,6]-4:C[6]-3:H-1:	C[5x3,4,5x5,20x6]-6:C[6]-4:C[4]-4:C[6]-3:	C[6]-4:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H)	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[5x3,5x5,20x6]C[6]H)(C[4]C[5x3,4,5x5,20x6]HH)(C[6]C[6]H)	H(C[6]C[5x3,5x5,20x6]C[4,6]C[6])	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<6>,9|B<6>,9|H<1>}	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[5x3,5x5,20x6]C[6]H)(C[4]C[5x3,4,5x5,20x6]HH)(C[6]C[6]H){1|C<3>,1|C<6>,6|H<1>,9|B<6>}	H(C[6]C[5x3,5x5,20x6]C[4,6]C[6])	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	108.9528	1.906	432	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4]	H	4:2:2:1:	4:4:4:1:	4:	C[4]-4:O[6]-2:O[6]-2:H-1:	C[4]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4]C[4]2H)(O[6]C[6])2(H)	C[4](C[4]C[4]HH)2(C[6]O[6]2H)(H)	H(C[6]C[4]O[6]2)	C[6](C[4]C[4]2H)(O[6]C[6])2(H){1|O<2>,3|C<4>,6|H<1>}	C[4](C[4]C[4]HH)2(C[6]O[6]2H)(H){2|C<4>,2|H<1>}	H(C[6]C[4]O[6]2)	109.8380	0.000	1	109.8380	0.000	1	109.8380	0.000	1	109.8380	0.000	1	107.3160	2.315	18	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4]	H	4:3:2:1:	4:3:2:1:	4:	C[4]-4:C[6]-3:N[6]-2:H-1:	C[6]-4:C[4]-3:S[4]-2:H-1:	C[6]-4:	C[6](C[4]C[4]S[4]H)(C[6]C[6a]N[6])(N[6]C[6])(H)	C[4](C[6]C[6]N[6]H)(C[4]C[4]O)(S[4]C[4])(H)	H(C[6]C[4]C[6]N[6])	C[6](C[4]C[4]S[4]H)(C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,1|O<1>,4|C<3>}	C[4](C[6]C[6]N[6]H)(C[4]C[4]O)(S[4]C[4])(H){1|N<2>,3|C<3>}	H(C[6]C[4]C[6]N[6])	108.7900	0.000	1	108.7900	0.000	1	108.7900	0.000	1	108.7900	0.000	1	107.3160	2.315	18	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4]	H	4:3:3:1:	4:4:3:4:	4:	C[4]-4:C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-4:C[4]-3:C-4:	C[6]-4:	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H)	C[4](C[4]C[4]C[6]C)(C[6]C[6]2H)(C[4]C[4]C)(CHHO)	H(C[6]C[4]C[6]2)	C[6](C[4]C[4]2C)(C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>,4|C<4>}	C[4](C[4]C[4]C[6]C)(C[6]C[6]2H)(C[4]C[4]C)(CHHO){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[4]C[6]2)	107.7680	0.000	1	107.7680	0.000	1	107.7680	0.000	1	107.8380	0.010	2	107.3160	2.315	18	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4]	H	4:3:3:1:	4:4:3:4:	4:	C[4]-4:C[6]-3:N[6]-3:H-1:	C[4]-4:C[6]-4:C[4]-3:C-4:	C[6]-4:	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H)	C[4](C[4]C[4]C[6]C)(C[6]C[6]N[6]H)(C[4]C[4]C)(CHHO)	H(C[6]C[4]C[6]N[6])	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[4](C[4]C[4]C[6]C)(C[6]C[6]N[6]H)(C[4]C[4]C)(CHHO){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[4]C[6]N[6])	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	107.8380	0.010	2	107.3160	2.315	18	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4]	H	4:4:4:1:	4:3:2:1:	4:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[4]-3:O[4]-2:H-1:	C[6]-4:	C[6](C[4]C[4]O[4]H)(C[6]C[6]HH)2(H)	C[4](C[6]C[6]2H)(C[4]C[4]C)(O[4]C[4])(H)	H(C[6]C[4]C[6]2)	C[6](C[4]C[4]O[4]H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	C[4](C[6]C[6]2H)(C[4]C[4]C)(O[4]C[4])(H){1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[4]C[6]2)	106.7850	0.000	1	106.7850	0.000	1	106.7850	0.000	1	106.7850	0.000	1	107.3160	2.315	18	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4]	H	4:4:4:1:	4:3:3:1:	4:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[4]-3:N[4]-3:H-1:	C[6]-4:	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H)	C[4](C[6]C[6]2H)(C[4]C[4]C)(N[4]C[4]H)(H)	H(C[6]C[4]C[6]2)	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[4](C[6]C[6]2H)(C[4]C[4]C)(N[4]C[4]H)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[4]C[6]2)	104.0615	2.149	2	104.0615	4.618	2	104.0615	4.618	2	104.0615	4.618	2	107.3160	2.315	18	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4]	H	4:4:4:1:	4:4:3:1:	4:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[4]-4:C[6]-4:N[4]-3:H-1:	C[6]-4:	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H)	C[4](C[4]C[4]ClH)(C[6]C[6]2H)(N[4]C[4]C)(H)	H(C[6]C[4]C[6]2)	C[6](C[4]C[4]N[4]H)(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[4](C[4]C[4]ClH)(C[6]C[6]2H)(N[4]C[4]C)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[4]C[6]2)	108.4760	0.000	1	108.4760	0.000	1	108.4760	0.000	1	108.4760	0.000	1	107.3160	2.315	18	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4]	H	4:4:4:1:	4:4:4:1:	4:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[4]-4:C[6]-4:P[4]-4:H-1:	C[6]-4:	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H)	C[4](C[4]C[4]HH)(C[6]C[6]2H)(P[4]C[4]BC)(H)	H(C[6]C[4]C[6]2)	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,6|H<1>}	C[4](C[4]C[4]HH)(C[6]C[6]2H)(P[4]C[4]BC)(H){3|C<4>,5|H<1>}	H(C[6]C[4]C[6]2)	107.7180	0.018	2	107.7180	0.000	2	107.7180	0.000	2	107.9347	0.196	4	107.3160	2.315	18	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4]	H	4:4:4:1:	4:4:4:1:	4:	C[4]-4:C[6]-4:C[6]-4:H-1:	P[4]-4:C[4]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H)	C[4](P[4]C[4]RuC)(C[4]C[4]HH)(C[6]C[6]2H)(H)	H(C[6]C[4]C[6]2)	C[6](C[4]C[4]P[4]H)(C[6]C[6]HH)2(H){1|Ru<9>,3|C<4>,6|H<1>}	C[4](P[4]C[4]RuC)(C[4]C[4]HH)(C[6]C[6]2H)(H){3|C<4>,5|H<1>}	H(C[6]C[4]C[6]2)	108.1515	0.633	2	108.1515	0.401	2	108.1515	0.401	2	107.9347	0.196	4	107.3160	2.315	18	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4]	H	4:4:4:1:	4:4:4:3:	4:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[4]-4:C[4]-4:C[6]-4:B[5]-3:	C[6]-4:	C[6](C[4]B[5]C[4]2)(C[6]C[6]HH)2(H)	C[4](C[4]C[4]HH)2(C[6]C[6]2H)(B[5]O[5]2)	H(C[6]C[4]C[6]2)	C[6](C[4]B[5]C[4]2)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,8|H<1>}	C[4](C[4]C[4]HH)2(C[6]C[6]2H)(B[5]O[5]2){1|Br<1>,4|C<4>,5|H<1>}	H(C[6]C[4]C[6]2)	106.8160	0.000	1	107.0435	0.054	6	107.0435	0.054	6	107.0435	0.054	6	107.3160	2.315	18	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6]	C[4]	H	4:4:4:1:	4:4:4:3:	4:	C[4]-4:C[6]-4:C[6]-4:H-1:	C[4]-4:C[4]-4:C[6]-4:B[5]-3:	C[6]-4:	C[6](C[4]B[5]C[4]2)(C[6]C[6]HH)2(H)	C[4](C[4]C[4]HH)2(C[6]C[6]2H)(B[5]O[5]2)	H(C[6]C[4]C[6]2)	C[6](C[4]B[5]C[4]2)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,8|H<1>}	C[4](C[4]C[4]HH)2(C[6]C[6]2H)(B[5]O[5]2){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[4]C[6]2)	107.0890	0.227	5	107.0435	0.054	6	107.0435	0.054	6	107.0435	0.054	6	107.3160	2.315	18	109.0661	1.986	1273
466	478	951	0:SP3_SP-NON_SP3	C[6x6]	C[4,5x6]	H	4:4:4:1:	4:4:4:3:	4:	C[4,5x6]-4:C[6x6]-4:C[6,6]-4:H-1:	C[4,4,3x6]-4:C[4,3x6]-4:C[6x6]-4:C-3:	C[6x6]-4:	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H)	C[4,5x6](C[4,4,3x6]C[4,4,3x6]C[4,3x6]H)(C[4,3x6]C[4,4,3x6]C[6,6]H)(C[6x6]C[6,6]C[6x6]H)(CCH)	H(C[6x6]C[4,5x6]C[6,6]C[6x6])	C[6x6](C[4,5x6]C[4,4,3x6]C[4,3x6]C)(C[6x6]C[4,5x6]C[6,6]H)(C[6,6]C[6,6]OO)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[4,5x6](C[4,4,3x6]C[4,4,3x6]C[4,3x6]H)(C[4,3x6]C[4,4,3x6]C[6,6]H)(C[6x6]C[6,6]C[6x6]H)(CCH){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6x6]C[4,5x6]C[6,6]C[6x6])	110.4625	0.687	2	110.4625	0.471	2	110.4625	0.471	2	110.4625	0.471	2	110.4625	0.471	2	109.0661	1.986	1273
466	478	956	0:SP3_SP2_SP3	C[6,6]	C[4,6,6]	N	4:4:4:3:	4:4:4:1:	4:3:1:	C[4,6,6]-4:C[6,6]-4:C-4:N-3:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CN)(H)	N(C[6,6]C[4,6,6]C[6,6]C)(COO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]CN)(H){1|C<4>,3|H<1>}	N(C[6,6]C[4,6,6]C[6,6]C)(COO)(H)	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1
466	478	956	0:SP3_SP3_SP3	C[6,6]	C[4,6,6]	N	4:3:3:1:	4:4:4:1:	4:4:1:	C[4,6,6]-4:C[6,6]-3:N-3:H-1:	C[4,6]-4:C[4,6]-4:C[6,6]-4:H-1:	C[6,6]-4:S-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(NHS)(H)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HN)(H)	N(C[6,6]C[4,6,6]C[6,6]H)(SC[6a]NO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(NHS)(H){2|H<1>,4|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]HN)(H){1|C<3>,2|H<1>}	N(C[6,6]C[4,6,6]C[6,6]H)(SC[6a]NO)(H)	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1	108.3480	0.000	1
466	486	486	6:SP3_SP3_SP3	C[3x6]	C[3,5,6,6]	C[3,3x6]	4:4:3:4:	4:3:4:2:	4:4:4:2:	C[3,5,6,6]-4:C[3,3x6]-4:C[3x6]-3:N-4:	C[3,5,6,6]-4:C[5,6,6a]-3:C[3x6]-4:O[3]-2:	C[3,5,6,6]-4:C[3x6]-4:C[6,6]-4:O[3]-2:	C[3x6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,3x6]C[3,5,6,6]C[6,6]O[3])(C[3x6]C[5,6,6]C[6,6])(NC[6a]HH)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6])	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6])	C[3x6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,3x6]C[3,5,6,6]C[6,6]O[3])(C[3x6]C[5,6,6]C[6,6])(NC[6a]HH){3|C<4>,3|O<2>,5|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3x6]C[3,3x6]C[3x6]N)(O[3]C[3,5,6,6]){2|O<2>,3|C<4>,5|C<3>}	C[3,3x6](C[3,5,6,6]C[5,6,6a]C[5,6,6]O[3])(C[3x6]C[3,5,6,6]C[3x6]N)(C[6,6]C[5,6]O[6]O)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C[3,5,6]	4:4:3:4:	4:4:4:2:	4:4:4:2:	C[3,5,6]-4:C[3,6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3)	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,5,6](C[6,6]C[3,6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3,5,6](C[6,6]C[3,6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	108.1500	0.455	2	108.1500	0.207	2	108.1500	0.207	2	108.1500	0.207	2	108.1500	0.207	2	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C[3,6]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H)	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[3,5,6]C[5,6]O[3]O[5])(C[6,6]C[3,6,6]C[6,6]H)(O[3]C[3,5,6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6,6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3,6,6](C[6,6]C[3,6]C[6,6]H)(C[3,6]C[5,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3,5,6]C[5,6]O[3]O[5])(C[6,6]C[3,6,6]C[6,6]H)(O[3]C[3,5,6])(H){1|O<2>,2|C<3>,5|C<4>}	114.2590	0.000	1	114.2590	0.000	1	114.2590	0.000	1	114.2590	0.000	1	113.8843	0.901	3	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C[3,6]	4:4:4:2:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	C[3,6,6](C[6,6]C[3,6]C[6]O)(C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3,6](C[6,6]C[3,6,6]C[6]O)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	114.5890	0.000	1	114.5890	0.000	1	114.5890	0.000	1	114.5890	0.000	1	113.8843	0.901	3	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C[3,6]	4:4:4:4:	4:4:4:2:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO)	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C[3,6](C[6,6]C[3,6,6]C[6,6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO){1|O<1>,4|C<4>,5|H<1>}	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3,6](C[6,6]C[3,6,6]C[6,6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	112.8050	0.000	1	112.8050	0.000	1	112.8050	0.000	1	112.8050	0.000	1	113.8843	0.901	3	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,5,6]	C[3,6]	4:4:1:1:	4:4:2:4:	4:4:3:1:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:O[3]-2:C[5]-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[3,6]C[3,6]N[3]H)(H)2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,5,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[3,6]C[3,6]N[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[6]C[3,6]HH)(O[3]C[3,5,6])(C[5]C[5]HH){1|C<4>,1|N<3>,7|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,5,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	113.3835	0.033	2	113.3835	0.001	2	113.3835	0.001	2	113.3835	0.001	2	114.4055	1.424	4	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,5,6]	C[3,6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[3,6]-4:C[6]-4:C[3]-4:H-1:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[3,6]C[3,6]C[3]H)(H)2	C[3,5,6](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5,6]HH)(C[6]C[3,6]HH)	C[3,6](C[3,6]C[3]C[6]O)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(H)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,5,6](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5,6]HH)(C[6]C[3,6]HH){4|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]O)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(H){2|H<1>,3|C<4>}	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	114.4055	1.424	4	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,5,6]	C[3,6]	4:4:1:1:	4:4:4:4:	4:4:4:2:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:C[3]-4:O-2:	C[6](C[3,5,6]C[3,5,6]C[5,6]C[3])(C[3,6]C[3,6]C[3]O)(H)2	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[3]C[3,5,6]Cl2)(C[6]C[3,6]HH)	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(OC)	C[6](C[3,5,6]C[3,5,6]C[5,6]C[3])(C[3,6]C[3,6]C[3]O)(H)2{4|Cl<1>,2|H<1>,4|C<4>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[6]H)(C[3]C[3,5,6]Cl2)(C[6]C[3,6]HH){1|O<2>,4|C<4>,7|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[3,5,6]HH)(C[3]C[3,6]Cl2)(OC){2|H<1>,3|C<4>}	115.6420	0.000	1	115.6420	0.000	1	115.6420	0.000	1	115.6420	0.000	1	114.4055	1.424	4	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6,6]	C[3,6]	4:4:1:1:	4:3:4:4:	4:4:2:1:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6]-4:N[3]-3:C[6]-4:C[6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[3,6]C[3,6]O[3]H)(H)2	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[3,6]C[3,6]O[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[6]2N[3])(N[3]C[3,6,6]S)(C[6]C[3,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	116.2595	0.131	2	116.2595	0.017	2	116.2595	0.017	2	116.2595	0.017	2	115.2340	1.597	4	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6,6]	C[3,6]	4:4:1:1:	4:4:2:4:	4:4:3:1:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:C[6]-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[3,6]C[3,6]N[3]H)(H)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[3,6]C[3,6]N[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[3,6]HH)(O[3]C[3,6,6])(C[6]C[6]HH){1|N<3>,2|C<4>,7|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	114.2085	0.753	2	114.2085	0.567	2	114.2085	0.567	2	114.2085	0.567	2	115.2340	1.597	4	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)2(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)2(H)2{1|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.6010	0.000	1	115.6010	0.000	1	115.6010	0.000	1	115.6010	0.000	1	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:2:4:	4:4:3:1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	115.1988	0.414	4	115.1988	0.172	4	115.6597	0.450	7	115.6597	0.450	7	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:2:4:	4:4:3:1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CCCH)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CCCH){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	115.9210	0.000	1	115.9210	0.000	1	115.6597	0.450	7	115.6597	0.450	7	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:2:4:	4:4:3:1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	116.3730	0.000	1	116.3730	0.000	1	115.6597	0.450	7	115.6597	0.450	7	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:2:4:	4:4:3:1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|O<2>,2|C<4>,2|H<1>}	116.5290	0.000	1	116.5290	0.000	1	115.6597	0.450	7	115.6597	0.450	7	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|S<4>,3|C<4>}	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	113.8320	0.000	1	113.8320	0.000	1	114.7423	0.472	6	114.7423	0.472	6	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	114.5595	0.622	2	114.5595	0.386	2	114.7423	0.472	6	114.7423	0.472	6	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	115.6970	0.000	1	115.6970	0.000	1	114.7423	0.472	6	114.7423	0.472	6	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:3:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|C<4>,1|N<3>,3|H<1>}	114.9030	0.341	2	114.9030	0.116	2	114.7423	0.472	6	114.7423	0.472	6	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:3:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	116.5450	0.600	2	116.5450	0.360	2	116.3083	0.467	4	116.3083	0.467	4	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:3:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(H){1|N<3>,2|C<4>,2|H<1>}	116.0715	0.904	2	116.0715	0.818	2	116.3083	0.467	4	116.3083	0.467	4	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:3:4:	4:4:2:4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:N[3]-3:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]C)(H)2	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(C[6]C[3,6]HH)(N[3]C[3,6]S)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|N<3>,2|C<4>,2|H<1>}	117.1320	0.000	1	117.1320	0.000	1	117.1320	0.000	1	117.1320	0.000	1	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)2(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]BrF)(C[6]C[3,6]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]BrF)(C[6]C[3,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)2(H)2{2|Br<1>,1|C<4>,2|F<1>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]BrF)(C[6]C[3,6]HH)(H){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]BrF)(C[6]C[3,6]HH)(H){2|C<4>,3|H<1>}	116.5060	0.000	1	116.5060	0.000	1	116.5060	0.000	1	116.5060	0.000	1	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CCCH)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CCCH){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H){2|H<1>,3|C<4>}	117.1110	0.000	1	117.1110	0.000	1	116.9020	0.087	2	116.9020	0.087	2	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(H){2|H<1>,3|C<4>}	116.6930	0.000	1	116.6930	0.000	1	116.9020	0.087	2	116.9020	0.087	2	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)2(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)2(H)2{4|Br<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	118.7020	0.000	1	118.7020	0.000	1	119.2780	0.459	3	119.2780	0.459	3	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)2(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]BrH)(C[6]C[3,6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]BrH)(C[6]C[3,6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)2(H)2{2|Br<1>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]BrH)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]BrH)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	120.0240	0.000	1	120.0240	0.000	1	119.2780	0.459	3	119.2780	0.459	3	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[3,6]-4:C[3]-4:C[6]-4:C-4:	C[6](C[3,6]C[3,6]C[3]C)2(H)2	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3)	C[6](C[3,6]C[3,6]C[3]C)2(H)2{4|Cl<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]HH)(CH3){2|H<1>,3|C<4>}	119.1080	0.000	1	119.1080	0.000	1	119.2780	0.459	3	119.2780	0.459	3	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|H<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H){1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:2:1:	4:4:2:1:	4:4:2:4:	C[3,6]-4:C[3,6]-4:O-2:H-1:	C[3,6,6]-4:C[6]-4:O[3]-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(OH)(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(CHHO)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(OH)(H){1|H<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[6]C[3,6]HO)(O[3]C[3,6,6])(H){2|H<1>,2|O<2>,4|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<2>}	115.3020	0.000	1	115.3020	0.000	1	115.3020	0.000	1	115.3020	0.000	1	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:3:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)2(C[6a]C[6a]2)(H)	C[3,6](C[6]C[3,6]C[6a]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[6]C[3,6]C[6a]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)2(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,4|H<1>}	C[3,6](C[6]C[3,6]C[6a]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,6](C[6]C[3,6]C[6a]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.8540	0.000	1	113.8540	0.000	1	113.8540	0.000	1	113.8540	0.000	1	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:4:1:	4:4:2:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,5,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,5,6]O[3]C)(C[3,6]C[3,6]O[3]H)(CH3)(H)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[3,6]CH)(O[3]C[3,5,6])(CHHO)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,5,6]O[3]C)(C[3,6]C[3,6]O[3]H)(CH3)(H){1|H<1>,2|C<4>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[3,6]CH)(O[3]C[3,5,6])(CHHO){1|O<2>,2|H<1>,5|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]CH)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	115.1750	0.000	1	115.1750	0.000	1	115.1750	0.000	1	115.1750	0.000	1	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H)	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,3|H<1>}	104.2370	0.020	2	104.2370	0.000	2	107.2040	26.409	3	107.2040	26.409	3	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,3|H<1>}	113.1380	0.000	1	113.1380	0.000	1	107.2040	26.409	3	107.2040	26.409	3	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	110.5990	0.000	1	110.5990	0.000	1	110.4164	0.045	5	110.4164	0.045	5	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|C<4>,4|H<1>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	110.3140	0.000	1	110.3140	0.000	1	110.4164	0.045	5	110.4164	0.045	5	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:2:1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	110.3897	0.258	3	110.3897	0.067	3	110.4164	0.045	5	110.4164	0.045	5	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:3:1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H){2|H<1>,3|C<4>}	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	113.1260	0.000	1	113.1260	0.000	1	112.6760	0.188	8	112.6760	0.188	8	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,4|C<4>,4|H<1>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	112.3535	0.787	2	112.3535	0.619	2	112.6760	0.188	8	112.6760	0.188	8	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,4|C<4>,4|H<1>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	112.6360	0.492	2	112.6360	0.242	2	112.6760	0.188	8	112.6760	0.188	8	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	112.7800	0.110	2	112.7800	0.012	2	112.6760	0.188	8	112.6760	0.188	8	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	112.7430	0.000	1	112.7430	0.000	1	112.6760	0.188	8	112.6760	0.188	8	113.9943	10.394	47	113.8392	9.655	61
466	486	486	6:SP3_SP3_SP3	C[6]	C[3,6]	C[3,6]	7:4:4:1:	4:4:4:2:	4:4:2:1:	C[3x3,4]-7:C[3,6]-4:C[3,6]-4:H-1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6]-4:C[3,6]-4:O[3]-2:H-1:	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H)	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H)	C[6](C[3x3,4]C[3,3]2C[3x3]2C[4]2)(C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]O[3]H)(H){1|C<5>,2|H<2>,4|C<4>,8|H<1>}	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){1|C<2>,1|C<3>,1|C<5>,1|C<6>,1|O<2>,3|C<4>,3|H<1>}	C[3,6](C[6]C[3x3,4]C[3,6]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(H){1|C<2>,1|C<3>,1|C<5>,1|C<6>,1|O<2>,2|H<1>,4|C<4>}	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	113.9943	10.394	47	113.8392	9.655	61
466	486	490	0:SP3_SP3_SP3	C[3x6]	C[3,6,6]	C	3:4:3:4:	4:4:2:3:	4:1:1:1:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:C-3:	C[3x6]-4:F-1:F-1:F-1:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(COO)	C(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])(F)3	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(COO){1|N<3>,2|C<3>,2|H<1>}	C(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])(F)3	111.5890	0.000	1	111.5890	0.000	1	111.5890	0.000	1	111.5890	0.000	1	110.6480	1.294	3	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[3x6]	C[3,6,6]	C	4:3:3:4:	4:3:4:2:	4:2:1:1:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(CHHO)	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,3|H<1>}	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	110.6480	1.294	3	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[3x6]	C[3,6,6]	C	4:4:3:4:	4:3:4:2:	4:2:1:1:	C[3,6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[3x6]-4:O-2:H-1:H-1:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO)	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	110.6480	1.294	3	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,3x6]	C	4:4:3:4:	4:4:4:4:	4:1:1:1:	C[3,3x6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,5,6,6]-4:C[3,5,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3)	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH)	C(C[6,6]C[3,3x6]C[6,6]C[6])(H)3	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]O)(CH3){1|C<3>,6|C<4>,7|H<1>}	C[3,3x6](C[3,5,6,6]C[3,5,6]C[5,6]C[6])(C[3,5,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]HH){2|O<1>,5|C<4>,6|H<1>}	C(C[6,6]C[3,3x6]C[6,6]C[6])(H)3	109.3270	0.525	3	109.3270	0.276	3	109.3270	0.276	3	109.3270	0.276	3	109.3270	0.276	3	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,5,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[3,6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3)	C[3,5,6](C[6,6]C[3,6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C(C[6,6]C[3,5,6]C[3,6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[3,5,6](C[6,6]C[3,6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[3,5,6]C[3,6,6]C[6])(H)3	108.2800	0.018	2	108.2800	0.000	2	108.2800	0.000	2	108.6140	0.094	5	108.1872	0.417	9	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,5,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	108.8840	0.000	1	108.8367	0.002	3	108.8367	0.002	3	108.6140	0.094	5	108.1872	0.417	9	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,5,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	108.8360	0.000	1	108.8367	0.002	3	108.8367	0.002	3	108.6140	0.094	5	108.1872	0.417	9	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,5,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	108.7900	0.000	1	108.8367	0.002	3	108.8367	0.002	3	108.6140	0.094	5	108.1872	0.417	9	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,5,6]	C	4:4:3:4:	4:4:4:4:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-3:C-4:	C[3,5,6]-4:C[6,6]-4:C[3]-4:C[5]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,5,6]HH)(C[5]C[5]HH)	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|C<4>,7|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,5,6]HH)(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	108.1872	0.417	9	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,5])	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	107.8223	0.284	3	108.1872	0.417	9	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	108.3740	0.000	1	107.8425	0.565	2	107.8425	0.565	2	107.8223	0.284	3	108.1872	0.417	9	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[3,5,6]C[6,6]C[6])(H)3	107.3110	0.000	1	107.8425	0.565	2	107.8425	0.565	2	107.8223	0.284	3	108.1872	0.417	9	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:3:3:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,6|H<1>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){2|C<3>,3|C<4>,6|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	107.0190	0.950	2	107.0190	0.903	2	107.0190	0.903	2	107.0190	0.903	2	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C[3,6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C(C[6,6]C[5a,6,6]C[3,6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3,6,6](C[6,6]C[5a,6,6]C[6]C)(C[6,6]C[5,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5a,6,6]C[3,6,6]C[6])(H)3	108.6910	0.000	1	108.6910	0.000	1	108.6910	0.000	1	110.4365	4.477	8	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]2)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	110.0390	0.000	1	110.0390	0.000	1	110.0390	0.000	1	110.4365	4.477	8	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	109.3118	0.543	4	109.3118	0.295	4	109.3118	0.295	4	110.4365	4.477	8	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6]-3:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]O)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[3,6,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(O[3]C[3,6]){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	113.7575	0.366	2	113.7575	0.134	2	113.7575	0.134	2	110.4365	4.477	8	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[3,6]-4:C[3,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[3,6,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(C[6,6]C[6]2C)(H)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]2H)(C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(C[6,6]C[6]2C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	109.4170	0.000	1	109.4170	0.000	1	109.4170	0.000	1	109.4170	0.000	1	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[3,6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3)	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C(C[6,6]C[3,5,6]C[3,6,6]C[6])(H)3	C[6,6](C[3,5,6]C[3,5]C[5,6]O[3])(C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[3,5,6]C[3,6,6]C[6])(H)3	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	109.8723	2.873	12	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3)	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[5,6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6,6]C[5,6]2H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[3,5,6]C[6]C)(C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[5,6,6]C[6])(H)3	110.2625	0.204	2	110.2625	0.042	2	110.2625	0.042	2	109.8723	2.873	12	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.0250	0.000	1	108.0250	0.000	1	107.9877	0.007	3	109.8723	2.873	12	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	107.8940	0.000	1	107.8940	0.000	1	107.9877	0.007	3	109.8723	2.873	12	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]N)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.0440	0.000	1	108.0440	0.000	1	107.9877	0.007	3	109.8723	2.873	12	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,7|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.0000	0.000	1	108.0000	0.000	1	108.1710	0.058	2	109.8723	2.873	12	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.3420	0.000	1	108.3420	0.000	1	108.1710	0.058	2	109.8723	2.873	12	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<3>,3|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)2(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	111.7045	0.372	4	111.7045	0.138	4	111.7045	0.138	4	109.8723	2.873	12	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:3:4:	4:4:4:2:	4:2:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,3|C<4>,7|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(OC)(H)2	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:3:4:	4:4:4:4:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[3,6]-4:C[3]-4:C[6,6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[3,6,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2C)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[5,6]C[3])(C[6]C[6]HH)(C[6]C[6]O)(CH3){3|C<4>,8|H<1>}	C[3,6,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2C){1|O<1>,1|O<2>,4|H<1>,6|C<4>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	113.7580	0.000	1	113.7580	0.000	1	113.7580	0.000	1	113.7580	0.000	1	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[3,6,6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H)	C[3,6,6](C[3x6]N[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[3]O[3]CH)(O[3]C[3])	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]H)(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,6,6](C[3x6]N[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[3]O[3]CH)(O[3]C[3]){1|C<3>,3|C<4>}	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]H)(H)2	109.2140	0.000	1	109.2140	0.000	1	108.9190	0.174	2	108.9190	0.174	2	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[3,6,6]-4:C[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H)	C[3,6,6](C[3x6]N[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[3]O[3]CH)(O[3]C[3])	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]O)(H)2	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]2C)(CCHH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,6,6](C[3x6]N[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[3]O[3]CH)(O[3]C[3]){1|C<3>,3|C<4>}	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]O)(H)2	108.6240	0.000	1	108.6240	0.000	1	108.9190	0.174	2	108.9190	0.174	2	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:2:3:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	106.4820	0.000	1	106.4820	0.000	1	106.4820	0.000	1	108.5227	1.093	6	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:2:3:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	109.0793	0.371	3	109.0155	0.108	4	108.9308	0.117	5	108.5227	1.093	6	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:2:3:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	108.8240	0.000	1	109.0155	0.108	4	108.9308	0.117	5	108.5227	1.093	6	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:2:3:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3)	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O)	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	108.5920	0.000	1	108.5920	0.000	1	108.9308	0.117	5	108.5227	1.093	6	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[5,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|C<4>,7|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.0780	0.000	1	108.0780	0.000	1	108.0780	0.000	1	108.0780	0.000	1	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[3,6]2O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[3,6,6](C[3,6,6]C[3,6]2O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	111.2700	0.000	1	111.2700	0.000	1	109.8047	1.631	3	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[3,6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.9280	0.000	1	108.9280	0.000	1	109.8047	1.631	3	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[3,6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(O[3]C[3,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	109.2160	0.000	1	109.2160	0.000	1	109.8047	1.631	3	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(O[3]C[3,6,6]){2|O<2>,4|C<4>,7|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3)	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[5,6,6]C[3,6]O[3])(C[6,6]C[6]2O)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){2|C<4>,3|C<3>,3|O<2>,7|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	111.4750	0.000	1	111.4750	0.000	1	111.4750	0.000	1	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.1490	0.000	1	107.0402	0.502	6	107.0402	0.502	6	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	106.7450	0.000	1	107.0402	0.502	6	107.0402	0.502	6	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	106.5850	0.364	3	107.0402	0.502	6	107.0402	0.502	6	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3){2|C<3>,5|C<4>,5|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	107.5920	0.000	1	107.0402	0.502	6	107.0402	0.502	6	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|Cl<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	106.5300	0.000	1	106.9587	0.170	3	106.9587	0.170	3	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|O<2>,3|C<4>,6|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	107.1730	0.255	2	106.9587	0.170	3	106.9587	0.170	3	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,5|H<1>,6|C<4>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	107.6550	0.000	1	106.7340	1.696	2	106.7340	1.696	2	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	C[3,6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){5|C<4>,8|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	105.8130	0.000	1	106.7340	1.696	2	106.7340	1.696	2	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3)	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[5,6]C[6]O[5]2)(C[6,6]C[6]2C)(O[3]C[3,6]){1|O<1>,4|C<4>,6|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	110.7150	0.000	1	110.7150	0.000	1	110.7150	0.000	1	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[6,6]-4:C[6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3)	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(C[6]C[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	108.3360	0.000	1	108.3360	0.000	1	108.3360	0.000	1	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[3,6]-4:C[6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[5a,6]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6]C[5a,6]HH)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	110.5450	0.000	1	111.2619	1.027	8	111.3451	0.961	9	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	110.1610	0.690	2	111.2619	1.027	8	111.3451	0.961	9	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	111.8456	0.720	5	111.2619	1.027	8	111.3451	0.961	9	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3)	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[6]2)(H)3	C[6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[5a]O[6]H)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,3|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6]){1|C<3>,1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C(C[6,6]C[3,6,6]C[6]2)(H)3	112.0110	0.000	1	112.0110	0.000	1	111.3451	0.961	9	109.0865	4.614	28	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:2:1:1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO)	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])	C(C[6,6]C[3,6,6]C[3,6]C[6,6])(OH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO){1|O<1>,4|C<4>,5|H<1>}	C[3,6,6](C[6,6]C[3,6]C[6,6]C)(C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6]){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6,6]C[3,6,6]C[3,6]C[6,6])(OH)(H)2	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[3,6,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<1>,5|C<4>,6|H<1>}	C(C[6,6]C[3,6,6]C[6,6]C[6])(H)3	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	109.3506	3.920	64	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	3:4:3:4:	4:4:2:1:	4:1:1:1:	C[6,6a]-3:C[3,6]-4:C[5a,6,6]-3:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5a,6,6]C[5a,6]2)(CH3)	C[3,6](C[6,6]C[5a,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C(C[6,6]C[5a,6,6]C[6,6a]C[3,6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5a,6,6]C[5a,6]2)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[3,6](C[6,6]C[5a,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,4|C<3>}	C(C[6,6]C[5a,6,6]C[6,6a]C[3,6])(H)3	105.8600	0.000	1	105.8600	0.000	1	105.8600	0.000	1	105.8600	0.000	1	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6a]-3:C[3,6]-4:C[5,6,6]-4:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3)	C[3,6](C[6,6]C[5,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C(C[6,6]C[5,6,6]C[6,6a]C[3,6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[3,6](C[6,6]C[5,6,6]C[6,6a]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[5,6,6]C[6,6a]C[3,6])(H)3	112.4470	0.000	1	112.4470	0.000	1	112.4470	0.000	1	112.4470	0.000	1	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	105.9970	0.000	1	106.8543	0.551	3	106.8543	0.551	3	106.8543	0.551	3	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	4:4:3:4:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	107.2830	0.000	2	106.8543	0.551	3	106.8543	0.551	3	106.8543	0.551	3	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3,6]-4:C[6,6]-4:C[3]-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3)	C[3,6](C[3,6]C[3]C[6]H)(C[6,6]C[6,6]2C)(C[3]C[3,6]HH)(H)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(CH3){1|Cl<1>,2|C<3>,2|C<4>,7|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[6,6]C[6,6]2C)(C[3]C[3,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	106.7420	0.000	1	106.7420	0.000	1	107.4260	0.936	2	106.9473	1.155	3	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3)	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H)	C(C[6,6]C[3,6]C[6,6]2)(H)3	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(CH3){1|O<1>,4|C<4>,6|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6,6]C[6,6]2C)(O[3]C[3,6])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[3,6]C[6,6]2)(H)3	108.1100	0.000	1	108.1100	0.000	1	107.4260	0.936	2	106.9473	1.155	3	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,5,6])(H)	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	C[6,6](C[3,6]C[3,5,6]O[3]H)(C[6,6]C[6]2H)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,5,6])(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	105.9900	0.000	1	105.9900	0.000	1	105.9900	0.000	1	106.9473	1.155	3	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[3,6,6]-4:C[3,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO)	C[3,6](C[6,6]C[3,6,6]C[6,6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C(C[6,6]C[3,6,6]C[3,6]C[6,6])(OH)(H)2	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(CHHO){1|O<1>,4|C<4>,5|H<1>}	C[3,6](C[6,6]C[3,6,6]C[6,6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[3,6,6]C[3,6]C[6,6])(OH)(H)2	108.5590	0.000	1	108.5590	0.000	1	108.5590	0.000	1	108.5590	0.000	1	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(CCHH)	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(CCHH){1|C<3>,2|H<1>,5|C<4>}	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	106.6240	0.000	1	106.6240	0.000	1	107.3727	0.471	4	107.3727	0.471	4	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6,6]-4:C[3,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH)	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,3|C<4>}	C[3,6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	107.6223	0.577	3	107.6223	0.332	3	107.3727	0.471	4	107.3727	0.471	4	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){3|C<4>,5|H<1>}	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	104.4130	0.000	1	106.5227	3.355	3	106.5227	3.355	3	106.5227	3.355	3	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){3|C<4>,5|H<1>}	C(C[6,6]C[3,6]C[6,6]C[6])(H)3	107.5775	0.182	2	106.5227	3.355	3	106.5227	3.355	3	106.5227	3.355	3	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	4:4:4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){4|C<4>,8|H<1>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	109.5460	0.000	1	109.5460	0.000	1	109.3437	0.031	3	109.3437	0.031	3	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	4:4:4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[3,6]C[6,6]C[6])(OC)(H)2	109.2240	0.000	1	109.2240	0.000	1	109.3437	0.031	3	109.3437	0.031	3	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6,6]	C[3,6]	C	4:4:4:4:	4:4:4:2:	4:2:1:1:	C[3,6]-4:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6,6]-4:O-2:H-1:H-1:	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	C(C[6,6]C[3,6]C[6,6]C[6])(OH)(H)2	C[6,6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6]2H)(C[6]C[6]HO)(CHHO){1|O<2>,4|C<4>,7|H<1>}	C[3,6](C[6,6]C[6,6]C[6]C)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[3,6]C[6,6]C[6])(OH)(H)2	109.2610	0.000	1	109.2610	0.000	1	109.3437	0.031	3	109.3437	0.031	3	107.6821	2.901	20	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,5,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[3,5]-4:C[6]-4:O[3]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6,6]HH)(CH3)(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[5]O[3]C)(C[6]C[6]CH)(O[3]C[3,5])	C(C[6]C[3,5,6]C[6]H)(H)3	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6,6]HH)(CH3)(H){1|C<3>,1|H<1>,5|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[5]O[3]C)(C[6]C[6]CH)(O[3]C[3,5]){1|C<3>,1|C<4>,6|H<1>}	C(C[6]C[3,5,6]C[6]H)(H)3	116.5580	0.000	1	116.5580	0.000	1	116.5580	0.000	1	116.5580	0.000	1	112.5092	6.170	11	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,5,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[3,5,6](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C(C[6]C[3,5,6]C[6]H)(H)3	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,6|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[3,5,6]C[6]H)(H)3	111.7100	0.000	1	111.7100	0.000	1	112.1783	2.361	7	112.1783	2.361	7	112.5092	6.170	11	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,5,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C(C[6]C[3,5,6]C[6]H)(H)3	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,6|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[3,5,6]C[6]H)(H)3	111.2460	0.559	4	111.2460	0.313	4	112.1783	2.361	7	112.1783	2.361	7	112.5092	6.170	11	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,5,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H)	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C(C[6]C[3,5,6]C[6]H)(H)3	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){1|O<1>,2|C<4>,5|H<1>}	C(C[6]C[3,5,6]C[6]H)(H)3	114.2770	0.851	2	114.2770	0.725	2	112.1783	2.361	7	112.1783	2.361	7	112.5092	6.170	11	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,5,6]	C	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[3,5,6]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[6]-4:C-4:C-4:H-1:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|C<4>,5|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH){3|C<4>,4|H<1>}	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	114.9830	0.000	1	114.9830	0.000	1	114.9830	0.000	1	114.9830	0.000	1	112.5092	6.170	11	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,5,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[3,5,6]-4:C[6]-4:C-4:C-4:	C[3,5,6,6]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2	C[3,5,6](C[3,5,6,6]C[3,6]C[6,6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[5]HO)(C[6]C[6]CC)	C(C[6]C[3,5,6]C[6]C)(H)3	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5,6,6]C[3,6]C[6,6]C[5])(C[3,6]C[3,5,6,6]C[6]H)(C[5]C[5]HO)(C[6]C[6]CC){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C(C[6]C[3,5,6]C[6]C)(H)3	110.4060	3.924	2	110.4060	15.401	2	110.4060	15.401	2	110.4060	15.401	2	112.5092	6.170	11	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6,6]	C	4:2:4:4:	3:4:4:2:	4:1:1:1:	C[3,6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-3:C[3,6]-4:C[6]-4:O[3]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(CH3)2	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6])	C(C[6]C[3,6,6]O[6]C)(H)3	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6]){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[3,6,6]O[6]C)(H)3	112.6803	0.929	8	112.6803	0.864	8	112.6803	0.864	8	112.6803	0.864	8	111.8498	3.950	12	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6,6]-4:C[5,6]-4:C-4:C-4:	C[3,6,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(CH3)2	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6])	C(C[6]C[3,6,6]C[5,6]C)(H)3	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(CH3)2{1|C<3>,4|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6]C[5,6]CC)(C[6]C[6,6]HH)(O[3]C[3,6,6]){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[3,6,6]C[5,6]C)(H)3	109.4050	2.954	2	109.4050	8.728	2	109.4050	8.728	2	109.4050	8.728	2	111.8498	3.950	12	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)	C(C[6]C[3,6,6]C[6]C)(H)3	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2{4|C<4>,5|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]C[5]H)(C[6]C[6]CC){6|C<4>,7|H<1>}	C(C[6]C[3,6,6]C[6]C)(H)3	110.9730	3.108	2	110.9730	9.662	2	110.9730	9.662	2	110.9730	9.662	2	111.8498	3.950	12	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	3:4:4:1:	4:4:3:2:	4:4:4:1:	C[6,6a]-3:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:N[3]-3:C-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H)	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN)	C(C[6]C[6,6a]C[3,6]H)(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,3|O<2>}	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN){2|C<3>}	C(C[6]C[6,6a]C[3,6]H)(CH3)2(H)	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:2:4:1:	4:4:2:3:	4:1:1:1:	C[3,6]-4:O[6]-2:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(O[6]C[6])(CH3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CH)(O[3]C[3,6])(CCO)	C(C[6]C[3,6]O[6]H)(H)3	C[6](C[3,6]C[3,6]O[3]C)(O[6]C[6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CH)(O[3]C[3,6])(CCO){1|C<4>,2|H<1>}	C(C[6]C[3,6]O[6]H)(H)3	111.7955	1.152	2	111.7955	1.327	2	111.7955	1.327	2	111.7955	1.327	2	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:2:4:1:	4:4:4:1:	4:4:1:1:	C[3,6]-4:O[6]-2:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(CCHH)(H)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]CH)(H)	C(C[6]C[3,6]O[6]H)(CC[6a]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(CCHH)(H){2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]O[6]CH)(H){1|H<1>,5|C<3>}	C(C[6]C[3,6]O[6]H)(CC[6a]HH)(H)2	111.8870	0.000	1	111.8870	0.000	1	111.8870	0.000	1	111.8870	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:2:4:2:	4:3:4:1:	4:1:1:1:	C[3,6]-4:O[6]-2:C-4:O-2:	C[3]-4:N[3,6]-3:C[6]-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH)	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H)	C(C[6]C[3,6]O[6]O)(F)3	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	C[3,6](C[3]N[3,6]C[6a]H)(N[3,6]C[3]C[6])(C[6]O[6]CO)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[3,6]O[6]O)(F)3	110.6435	0.531	2	110.6435	0.282	2	110.6435	0.282	2	110.6435	0.282	2	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:2:4:2:	4:4:2:1:	4:1:1:1:	C[3,6]-4:O[6]-2:C-4:O-2:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6])(CH3)(OH)	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CO)(O[3]C[3,6])(H)	C(C[6]C[3,6]O[6]O)(H)3	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6])(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]O[6]CO)(O[3]C[3,6])(H){3|C<4>}	C(C[6]C[3,6]O[6]O)(H)3	109.8810	0.000	1	109.8810	0.000	1	109.8810	0.000	1	109.8810	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:1:	4:4:3:1:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:N-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CCHN)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(CH3)(NOS)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CCHN)(H){2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CH3)(NOS)(H)	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CC3)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(CC3)(H){2|Cl<1>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	108.8360	0.000	1	108.8360	0.000	1	108.8360	0.000	1	108.8360	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	114.9890	0.000	1	114.8405	0.208	4	115.0293	0.679	20	115.0293	0.679	20	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	115.3730	0.000	1	114.8405	0.208	4	115.0293	0.679	20	115.0293	0.679	20	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3,6](C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	114.5000	0.294	2	114.8405	0.208	4	115.0293	0.679	20	115.0293	0.679	20	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){1|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	117.2870	0.000	1	117.2870	0.000	1	115.0293	0.679	20	115.0293	0.679	20	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	114.2350	0.481	3	114.9458	0.504	9	115.0293	0.679	20	115.0293	0.679	20	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|H<1>,2|C<3>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	115.6650	0.000	1	114.9458	0.504	9	115.0293	0.679	20	115.0293	0.679	20	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	116.1550	0.000	1	114.9458	0.504	9	115.0293	0.679	20	115.0293	0.679	20	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	115.0750	0.000	1	114.9458	0.504	9	115.0293	0.679	20	115.0293	0.679	20	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	115.0140	0.000	1	114.9458	0.504	9	115.0293	0.679	20	115.0293	0.679	20	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	114.9490	0.228	2	114.9458	0.504	9	115.0293	0.679	20	115.0293	0.679	20	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	114.3770	0.453	2	114.6872	0.358	5	115.0293	0.679	20	115.0293	0.679	20	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	114.5475	0.431	2	114.6872	0.358	5	115.0293	0.679	20	115.0293	0.679	20	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	115.5870	0.000	1	114.6872	0.358	5	115.0293	0.679	20	115.0293	0.679	20	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]O[6]O)(CC3)(H)	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]O[6]O)(CC3)(H){3|C<4>,4|H<1>}	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	115.9890	0.000	1	115.9890	0.000	1	115.0293	0.679	20	115.0293	0.679	20	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:2:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[6]-3:C-4:O-2:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]O)(CH3)(OH)	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]CO)(O[3]C[3,6])(H)	C(C[6]C[3,6]C[6]O)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]O)(CH3)(OH){1|C<3>,2|C<4>}	C[3,6](C[3,6]C[6,6]O[3]C)(C[6]C[6]CO)(O[3]C[3,6])(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[3,6]C[6]O)(H)3	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6]-3:C-4:O-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CH3)(OH)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CO)(H)	C(C[6]C[3,6]C[6]O)(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CO)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[3,6]C[6]O)(H)3	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:4:	3:3:4:2:	4:1:1:1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]O)(CCHH)(CH3)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]O)(CCHH)(CH3){1|S<4>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[6]C[3,6]C[6]C)(H)3	111.9035	0.011	2	111.9035	0.000	2	111.9035	0.000	2	111.9035	0.000	2	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:4:	3:3:4:2:	4:4:1:1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]O)(CCHH)(CH3)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	C(C[6]C[3,6]C[6]C)(CF3)(H)2	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]O)(CCHH)(CH3){1|S<4>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[6]C[3,6]C[6]C)(CF3)(H)2	107.7710	1.061	3	107.7710	1.126	3	107.7710	1.126	3	107.7710	1.126	3	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(CH3)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H)	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[3,6]C[6]C)(H)3	108.0060	0.934	4	108.0060	0.872	4	108.0060	0.872	4	108.0060	0.872	4	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:4:	4:4:4:1:	4:4:1:1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)(CC3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[3,6]C[6]C)(C[6]C[6]2C)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)(CC3){1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[3,6]C[6]C)(C[6]C[6]2C)(H)2	102.0710	0.000	1	102.0710	0.000	1	102.0710	0.000	1	102.0710	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:3:4:4:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[6]-3:C-4:C-4:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)(CC3)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CC)(H)	C(C[6]C[3,6]C[6]C)(CH3)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)(CC3){1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]CC)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[3,6]C[6]C)(CH3)3	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,6]-4:C[6]-4:C-3:C-4:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3)	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3])	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3]){2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	114.7690	0.000	1	114.7690	0.000	1	114.7690	0.000	1	114.6125	0.049	2	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,6]-4:C[6]-4:C-3:C-4:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3)	C[3,6](C[5,6]C[5,5]C[5,6]C)(C[3]O[3]CH)(C[6]C[6]CC)(O[3]C[3])	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(CC[5a]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[3,6](C[5,6]C[5,5]C[5,6]C)(C[3]O[3]CH)(C[6]C[6]CC)(O[3]C[3]){2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	114.4560	0.000	1	114.4560	0.000	1	114.4560	0.000	1	114.6125	0.049	2	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:O[3]-2:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(CH3)(H)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CH)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]H)(H)3	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:3:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CCHO)(H){1|S<4>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CH)(H){1|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	104.9340	0.000	1	104.9340	0.000	1	104.9340	0.000	1	104.9340	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:3:4:4:	4:3:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6a]-3:C[3]-4:C[6]-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH)	C(C[6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)2	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]HH)(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[6a]C[6a,6a]C[6a])(C[3]C[3,6]CH)(C[6]C[6]CH){3|H<1>,5|C<3>}	C(C[6]C[3,6]C[6]H)(C[6a]C[6a]2)(H)2	119.1990	0.000	1	119.1990	0.000	1	119.1990	0.000	1	119.1990	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,5,6]O[3]C)(C[3,6]C[3,6]O[3]H)(CH3)(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C(C[6]C[3,6]2H)(H)3	C[6](C[3,6]C[3,5,6]O[3]C)(C[3,6]C[3,6]O[3]H)(CH3)(H){1|H<1>,2|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]CH)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[3,6]2H)(H)3	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	107.6864	1.591	5	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CH)(CH3)(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(H)3	108.6320	0.000	1	108.6320	0.000	1	108.9680	0.226	2	107.6864	1.591	5	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(H){2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(H)3	109.3040	0.000	1	109.3040	0.000	1	108.9680	0.226	2	107.6864	1.591	5	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,5,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[3,6]C[3,6]O[3]H)(CH3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,5,6]CH)(O[3]C[3,6])(H)	C(C[6]C[5,5,6]C[3,6]H)(H)3	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[3,6]C[3,6]O[3]H)(CH3)(H){1|C<3>,4|H<1>,5|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,5,6]CH)(O[3]C[3,6])(H){1|O<1>,3|C<4>}	C(C[6]C[5,5,6]C[3,6]H)(H)3	106.5995	0.581	2	106.5995	0.337	2	106.5995	0.337	2	107.6864	1.591	5	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(CHHO)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C(C[6]C[3,6]C[5,6]H)(OH)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[5,6]H)(OH)(H)2	112.5725	0.057	2	112.5725	0.003	2	112.5725	0.003	2	112.1503	0.536	3	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C(C[6]C[3,6]C[6]H)(OC)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(OC)(H)2	111.3060	0.000	1	111.3060	0.000	1	111.3060	0.000	1	112.1503	0.536	3	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]2C)(CCHH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C(C[6]C[3,6]C[6]H)(COO)(H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]2C)(CCHH)(H){3|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]H)(COO)(H)2	111.1750	0.000	1	111.1750	0.000	1	111.1750	0.000	1	111.1750	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C[5]-4:O-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CC[5]HO)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H)	C(C[6]C[3,6]C[5,6]H)(C[5]C[5]2H)(OO)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CC[5]HO)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]CH)(O[3]C[3,6])(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[3,6]C[5,6]H)(C[5]C[5]2H)(OO)(H)	111.0410	0.000	1	111.0410	0.000	1	111.0410	0.000	1	111.0410	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(CCCH)(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H)	C(C[6]C[3,6]C[6]H)(CH3)2(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[6]CH)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CH3)2(H)	109.7760	0.606	4	109.7760	0.367	4	109.7760	0.367	4	109.7760	0.367	4	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	112.7840	0.000	1	112.2352	0.387	5	112.2352	0.387	5	111.1453	3.231	9	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	112.2293	0.694	3	112.2352	0.387	5	112.2352	0.387	5	111.1453	3.231	9	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]CH)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	111.7040	0.000	1	112.2352	0.387	5	112.2352	0.387	5	111.1453	3.231	9	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	112.5650	0.000	1	109.7830	3.645	4	109.7830	3.645	4	111.1453	3.231	9	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(CC3)(H){1|O<2>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(H){2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	108.8557	0.554	3	109.7830	3.645	4	109.7830	3.645	4	111.1453	3.231	9	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:4:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,5,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,5,6]O[3]C)(C[3,6]C[3,6]O[3]H)(CH3)(H)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[3,6]CH)(O[3]C[3,5,6])(CHHO)	C(C[6]C[3,6]2H)(H)3	C[6](C[3,6]C[3,5,6]O[3]C)(C[3,6]C[3,6]O[3]H)(CH3)(H){1|H<1>,2|C<4>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[3,6]CH)(O[3]C[3,5,6])(CHHO){1|O<2>,2|H<1>,5|C<4>}	C(C[6]C[3,6]2H)(H)3	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	113.9020	6.013	7	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:4:	4:1:1:1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C(C[6]C[3,6]C[5,6]H)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[5,6]H)(H)3	114.8690	0.000	1	115.2340	0.172	5	115.2340	0.172	5	113.9020	6.013	7	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:4:	4:1:1:1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C(C[6]C[3,6]C[5,6]H)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[5,6]H)(H)3	115.3440	0.509	3	115.2340	0.172	5	115.2340	0.172	5	113.9020	6.013	7	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:4:	4:1:1:1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C(C[6]C[3,6]C[5,6]H)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	C(C[6]C[3,6]C[5,6]H)(H)3	115.2690	0.000	1	115.2340	0.172	5	115.2340	0.172	5	113.9020	6.013	7	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:4:	4:1:1:1:	C[3,6]-4:N[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CH3)	C(C[6]C[3,6]N[6]H)(H)3	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H){1|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	C(C[6]C[3,6]N[6]H)(H)3	112.0450	0.000	1	112.0450	0.000	1	112.0450	0.000	1	113.9020	6.013	7	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:4:	4:4:1:1:	C[3,6]-4:C[5,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]C)(CCHH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CC[6]HH)	C(C[6]C[3,6]C[5,6]H)(CC[6]HH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]C)(CCHH)(H){3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CC[6]HH){2|H<1>,3|C<4>}	C(C[6]C[3,6]C[5,6]H)(CC[6]HH)(H)2	113.2650	0.000	1	113.2650	0.000	1	113.2650	0.000	1	112.8577	1.261	3	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:4:	4:4:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C(C[6]C[3,6]C[6]H)(CH3)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H){1|H<1>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CH3)(H)2	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	112.8577	1.261	3	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:2:4:	4:4:1:1:	C[3,6]-4:N[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CCHH)	C(C[6]C[3,6]N[6]H)(CH3)(H)2	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CCHH){2|C<4>,3|H<1>}	C(C[6]C[3,6]N[6]H)(CH3)(H)2	113.7200	0.000	1	113.7200	0.000	1	113.7200	0.000	1	112.8577	1.261	3	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:N[3]-3:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]N[3]C)(C[6]C[3,6]CH)(N[3]C[3,6]H)(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	112.7580	0.000	1	112.7580	0.000	1	112.7580	0.000	1	112.7580	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:3:2:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[3]-3:O[3]-2:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CC)(CC[6]HO)(H)	C[3,6](C[6]C[6]CH)(C[6]C[6]HO)(C[3]O[3]H)(O[3]C[3])	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CC)(CC[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	C[3,6](C[6]C[6]CH)(C[6]C[6]HO)(C[3]O[3]H)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(C[6]C[6]2H)(OH)(H)	117.9100	0.000	1	117.9100	0.000	1	117.9100	0.000	1	117.9100	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[3,6]C[6]H)(H)3	109.6880	0.000	1	109.6880	0.000	1	110.2775	0.695	2	110.8240	1.243	3	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6a]C[6]H)(CH3)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]O)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6a]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]O)(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[3,6]C[6]H)(H)3	110.8670	0.000	1	110.8670	0.000	1	110.2775	0.695	2	110.8240	1.243	3	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[3,6]C[6]H)(H)3	111.9170	0.000	1	111.9170	0.000	1	111.9170	0.000	1	110.8240	1.243	3	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3,5]C[6]O)(CCHO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	110.4610	0.000	1	110.4610	0.000	1	111.5763	2.791	3	111.5763	2.791	3	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCHO)(H){1|C<3>,2|H<1>,5|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	110.7710	0.000	1	110.7710	0.000	1	111.5763	2.791	3	111.5763	2.791	3	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CO)(CCHO)(H){2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	113.4970	0.000	1	113.4970	0.000	1	111.5763	2.791	3	111.5763	2.791	3	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5,6]H)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(CH3)2(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5,6]H)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[3,6]C[6]H)(CH3)2(H)	110.7790	0.000	1	110.7790	0.000	1	110.7017	0.582	6	110.7017	0.582	6	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(CH3)2(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,3|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CH)(H){1|O<2>,4|C<4>,5|H<1>}	C(C[6]C[3,6]C[6]H)(CH3)2(H)	111.0143	0.954	3	111.0143	0.910	3	110.7017	0.582	6	110.7017	0.582	6	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(CH3)2(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]S)(C[6]C[6]CH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[3,6]C[6]H)(CH3)2(H)	110.1940	0.522	2	110.1940	0.272	2	110.7017	0.582	6	110.7017	0.582	6	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	106.9860	0.423	2	107.5835	0.647	4	109.2406	5.144	11	109.9924	6.218	14	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,4|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	108.1810	0.578	2	107.5835	0.647	4	109.2406	5.144	11	109.9924	6.218	14	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	108.3690	0.000	1	108.6210	0.187	4	109.2406	5.144	11	109.9924	6.218	14	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,4|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	108.9795	0.156	2	108.6210	0.187	4	109.2406	5.144	11	109.9924	6.218	14	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	108.1560	0.000	1	108.6210	0.187	4	109.2406	5.144	11	109.9924	6.218	14	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[3,6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	113.4780	0.322	2	113.4780	0.104	2	109.2406	5.144	11	109.9924	6.218	14	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[3,6]CH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	109.8730	0.000	1	109.8730	0.000	1	109.2406	5.144	11	109.9924	6.218	14	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Br<1>,2|H<1>,5|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Br2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	112.2720	0.000	1	112.2720	0.000	1	112.7487	0.192	3	109.9924	6.218	14	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	113.1330	0.000	1	112.9870	0.043	2	112.7487	0.192	3	109.9924	6.218	14	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[3]C[6]H)(CC3)(H){2|Cl<1>,2|H<1>,5|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]Cl2)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	112.8410	0.000	1	112.9870	0.043	2	112.7487	0.192	3	109.9924	6.218	14	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H)	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CH3)(H){2|C<4>,5|H<1>}	C[3,6](C[3]O[3]CH)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3]){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[3,6]C[6]H)(H)3	113.9800	0.000	1	113.9800	0.000	1	113.9800	0.000	1	113.9800	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:2:	4:3:1:1:	C[3,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6]-4:C-3:H-1:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H)	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C(C[6]C[3,6]C[6,6]H)(CC[5]H)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H){3|C<4>,7|H<1>}	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6,6]H)(CC[5]H)(H)2	113.8290	0.000	1	113.8290	0.000	1	113.8290	0.000	1	113.8290	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[3,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H)	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3])	C(C[6]C[3,6]C[6,6]H)(CCHH)(H)2	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(CCHH)(H){3|C<4>,7|H<1>}	C[3,6](C[6]C[6,6]CH)(C[3]O[3]HH)(C[6]C[6]HH)(O[3]C[3]){2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6,6]H)(CCHH)(H)2	111.8490	0.000	1	111.8490	0.000	1	111.8490	0.000	1	111.8490	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:2:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,3|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	122.6100	0.037	2	119.4467	30.021	3	119.4467	30.021	3	118.0975	27.295	4	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:2:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[6]-4:O[3]-2:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3])	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3]C[6]O[3])(C[3,6]C[3,6]C[3]H)(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]O[3]CC)(C[6]C[6]HH)(O[3]C[3]){2|C<4>,3|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	113.1200	0.000	1	119.4467	30.021	3	119.4467	30.021	3	118.0975	27.295	4	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:2:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H)	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3])	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(CC3)(H){3|H<1>,4|C<4>}	C[3,6](C[3]O[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)(O[3]C[3]){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	114.0500	0.000	1	114.0500	0.000	1	114.0500	0.000	1	118.0975	27.295	4	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O)	C(C[6]C[3,6]C[6]H)(H)3	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[3,6]C[6]H)(H)3	110.9990	0.000	1	110.9990	0.000	1	110.9990	0.000	1	110.9990	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:3:	4:4:1:1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CCHH)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O)	C(C[6]C[3,6]C[6]H)(CH3)(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[3,6]C[6]H)(CH3)(H)2	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	113.9110	0.000	1	113.9110	0.000	1	114.6364	0.716	14	114.5786	1.017	19	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,4|C<4>,4|H<1>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	114.7540	0.604	2	114.3482	0.376	4	114.6364	0.716	14	114.5786	1.017	19	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,4|C<4>,4|H<1>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){2|C<4>,3|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	113.9425	0.325	2	114.3482	0.376	4	114.6364	0.716	14	114.5786	1.017	19	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	113.8455	0.121	2	114.0033	0.082	3	114.6364	0.716	14	114.5786	1.017	19	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	114.3190	0.000	1	114.0033	0.082	3	114.6364	0.716	14	114.5786	1.017	19	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	114.1910	0.000	1	114.1910	0.000	1	114.6364	0.716	14	114.5786	1.017	19	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Br<1>,2|H<1>,4|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Br2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	116.2300	0.000	1	116.2300	0.000	1	114.6364	0.716	14	114.5786	1.017	19	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){4|C<4>,4|H<1>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	115.3100	0.000	1	115.3100	0.000	1	114.6364	0.716	14	114.5786	1.017	19	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[6]-4:C[3]-4:C[3]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H)	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH)	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C[6](C[3,6]C[3,6]O[3]H)(C[3,6]C[3]2C[6])(CC3)(H){2|Cl<1>,2|H<1>,4|C<4>}	C[3,6](C[6]C[3,6]CH)(C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[3,6]2H)(CCHH)(CH3)2	115.2880	0.862	3	115.2880	0.743	3	114.6364	0.716	14	114.5786	1.017	19	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]B[6a]C[6]H)(CC3)(H){2|Cl<1>,2|O<2>,3|H<1>,4|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|B<3>,1|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	113.9650	1.264	3	113.9650	1.598	3	114.4170	2.204	5	114.5786	1.017	19	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H)	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(CC3)(H){4|C<4>,5|H<1>}	C[3,6](C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	116.5250	0.000	1	116.5250	0.000	1	114.4170	2.204	5	114.5786	1.017	19	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[3,6]-4:C[6]-4:C-4:H-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H)	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CC3)(H){2|Cl<1>,3|H<1>,4|C<4>}	C[3,6](C[3]C[3]Cl2)(C[3]C[3]CC)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	113.6650	0.000	1	113.6650	0.000	1	114.4170	2.204	5	114.5786	1.017	19	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:2:	4:2:4:4:	4:4:4:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[3,5,6]-4:O[3]-2:C[6]-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CO)(CH3)	C(C[6]C[3,6]C[6]O)(CH3)2(H)	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH){2|C<4>,2|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CO)(CH3){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]O)(CH3)2(H)	110.6060	0.182	2	110.6060	0.033	2	110.6060	0.033	2	110.6060	0.033	2	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:2:	4:3:4:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H)	C(C[6]C[3,6]C[6]O)(H)3	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH){1|S<4>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]S)(C[6]C[6]CO)(H){1|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]O)(H)3	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CO)(O[3]C[3,6])(H)	C(C[6]C[3,6]C[6]O)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH){1|H<1>,3|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]CO)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	C(C[6]C[3,6]C[6]O)(H)3	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	107.0720	1.401	2	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[5,6,6]-4:C[3,6]-4:C-4:O-2:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6,6]CO)(O[3]C[3,6])(H)	C(C[6]C[5,6,6]C[3,6]O)(H)3	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5,6,6]CO)(O[3]C[3,6])(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6,6]C[3,6]O)(H)3	106.2350	0.000	1	106.2350	0.000	1	106.2350	0.000	1	107.0720	1.401	2	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[3,6,6]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH)	C[3,6](C[3,6,6]C[5,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]CO)(H)	C(C[6]C[3,6]C[6]O)(H)3	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH){2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[5,6]C[6,6]C[3])(C[3]C[3,6,6]HH)(C[6]C[6]CO)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]O)(H)3	110.8380	0.000	1	110.8380	0.000	1	110.8380	0.000	1	110.8380	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:2:	4:4:4:2:	4:4:1:1:	C[6,6]-4:C[3,6]-4:C-4:O-2:	C[6]-4:C[6]-4:C[3]-4:O[3]-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH)	C[3,6](C[6]C[5,6]HH)(C[6]C[6,6]CO)(C[3]O[3]HH)(O[3]C[3])	C(C[6]C[3,6]C[6,6]O)(CC[5a]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH){3|C<4>,7|H<1>}	C[3,6](C[6]C[5,6]HH)(C[6]C[6,6]CO)(C[3]O[3]HH)(O[3]C[3]){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[3,6]C[6,6]O)(CC[5a]HH)(H)2	114.3320	0.000	1	114.3320	0.000	1	114.3320	0.000	1	114.3320	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:2:	4:4:4:4:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:O-2:	C[3]-4:C[3]-4:C[6]-4:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH)	C[3,6](C[3]C[3]HH)2(C[6]C[6]CO)(C[6]C[6]HH)	C(C[6]C[3,6]C[6]O)(H)3	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,6|H<1>}	C[3,6](C[3]C[3]HH)2(C[6]C[6]CO)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]O)(H)3	111.9050	0.000	1	111.9050	0.000	1	111.9050	0.000	1	111.9050	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:3:	4:4:4:2:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-3:	C[3]-4:C[6]-4:C[6]-4:O[3]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO)	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3])	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3]O[3]CH)(C[6]C[6]CC)2(O[3]C[3]){2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	111.2840	0.000	1	111.2840	0.000	1	111.2840	0.000	1	111.2840	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:4:	3:3:4:2:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]HH)(CCHH)(CH3)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]HH)(CCHH)(CH3){1|S<4>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[3,6]C[6]C)(H)3	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:4:	3:3:4:2:	4:4:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:C[3]-3:C[6]-4:N[3]-2:	C[6]-4:C-4:H-1:H-1:	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]HH)(CCHH)(CH3)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3])	C(C[6]C[3,6]C[6]C)(CF3)(H)2	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]HH)(CCHH)(CH3){1|S<4>,3|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]N[3])(C[6]C[6]CC)(N[3]C[3]){1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[3,6]C[6]C)(CF3)(H)2	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:4:	3:3:4:3:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3]-3:N[6]-3:C[6]-4:C[3]-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3]2N[6])(C[6]C[6]HH)(CH3)2	C[3,6](C[3]C[6a]C[3])(N[6]C[6a]C[6])(C[6]C[6]CC)(C[3]C[3]C)	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3]2N[6])(C[6]C[6]HH)(CH3)2{3|C<3>,3|C<4>}	C[3,6](C[3]C[6a]C[3])(N[6]C[6a]C[6])(C[6]C[6]CC)(C[3]C[3]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[3,6]C[6]C)(H)3	111.0165	0.858	2	111.0165	0.736	2	111.0165	0.736	2	111.0165	0.736	2	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,3]-4:N[3,6]-3:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,3]N[3,6]H)(C[6]O[6]HH)(CH3)2	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H)	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,3]N[3,6]H)(C[6]O[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>}	C[3,6](C[3,3]N[3,6]C[3]N[3])(N[3,6]C[3,3]C[6])(C[6]C[6]CC)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	111.4545	2.770	2	111.4545	7.671	2	111.4545	7.671	2	111.4545	7.671	2	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]CH)(CH3)2	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H)	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]CH)(CH3)2{1|C<4>,1|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]CC)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[3,6]C[6]C)(H)3	108.1465	0.712	2	108.1465	0.507	2	108.1465	0.507	2	108.1465	0.507	2	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:4:	4:4:2:3:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-3:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCH)	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCH){1|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	109.2400	2.415	2	109.2400	5.835	2	109.2400	5.835	2	109.2400	5.835	2	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO)	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	107.2820	0.000	1	107.2820	0.000	1	110.4668	7.024	5	110.4668	7.024	5	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CH3)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHH)	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHH){2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	112.8550	1.199	2	112.8550	1.438	2	110.4668	7.024	5	110.4668	7.024	5	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO)	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2{2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO){1|C<4>,4|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	109.6710	1.960	2	109.6710	3.842	2	110.4668	7.024	5	110.4668	7.024	5	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:4:	4:4:2:4:	4:4:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO)	C(C[6]C[3,6]C[6]C)(CCHH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]C)(CCHH)(H)2	113.2590	0.000	1	113.2590	0.000	1	113.2590	0.000	1	113.2590	0.000	1	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[3,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)2	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CC)(H)	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6]C[6]CC)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	108.7450	2.065	2	108.7450	4.263	2	108.7450	4.263	2	108.7450	4.263	2	111.8675	9.900	163	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3]	C	4:2:2:4:	4:4:4:1:	4:4:1:1:	C[3]-4:S[6]-2:S[6]-2:C-4:	C[3]-4:C[3]-4:C[6]-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[3]C[3]2H)(S[6]C[6])2(CCHH)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]S[6]2C)(H)	C(C[6]C[3]S[6]2)(CH3)(H)2	C[6](C[3]C[3]2H)(S[6]C[6])2(CCHH){1|C<3>,2|C<4>,6|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]S[6]2C)(H){2|C<3>,2|C<4>}	C(C[6]C[3]S[6]2)(CH3)(H)2	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	109.0360	0.000	1	110.8750	1.787	4	110.8768	9.199	289
466	486	490	0:SP3_SP3_SP3	C[6]	C[3]	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[3]-4:C[6]-3:C[6]-4:C-4:	C[3]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3]C[3]O[3]H)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(H)	C(C[6]C[3]C[6]2)(H)3	C[6](C[3]C[3]O[3]H)(C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[3]C[6]2)(H)3	111.4880	0.652	3	111.4880	0.426	3	111.4880	0.426	3	111.4880	0.426	3	110.8750	1.787	4	110.8768	9.199	289