474	486	542	0:SP3_SP2_SP3	C[5,5]	C[3,5]	N[5]	3:4:3:2:	4:4:2:2:	4:3:2:	C[5,6a]-3:C[3,5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[3]-4:O[5]-2:O[3]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]O[3]O[5])(N[5]C[5]O)(O[5]C[5])	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3])	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]O)(OC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]O[3]O[5])(N[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3]){1|C<4>,1|O<2>,5|C<3>}	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]O)(OC){2|C<3>,2|O<2>,3|C<4>}	112.5270	0.119	2	112.5270	0.014	2	112.5270	0.014	2	112.5270	0.014	2	112.5270	0.014	2	111.5818	4.300	9
474	486	542	0:SP3_SP2_SP3	C[5,5]	C[3]	N[5,5]	3:3:4:4:	4:4:4:1:	3:4:2:	N[5,5]-3:C[5]-3:C[3]-4:C[5]-4:	C[5,5]-4:C[3]-4:C[3]-4:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[3]C[3]2H)(C[5]C[5]CN)	C[3](C[5,5]N[5,5]C[5]2)(C[3]C[3]HH)2(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3]C[5]2)(O[5]C[5])	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[3]C[3]2H)(C[5]C[5]CN){1|O<1>,2|C<3>,4|H<1>}	C[3](C[5,5]N[5,5]C[5]2)(C[3]C[3]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3]C[5]2)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	111.8830	0.000	1	111.8830	0.000	1	111.8830	0.000	1	111.8830	0.000	1	111.8830	0.000	1	111.5818	4.300	9
474	486	542	0:SP3_SP2_SP3	C[5]	C[3,3]	N[5]	4:4:3:4:	3:4:2:2:	4:3:3:	C[3,3]-4:C[5]-4:N[5]-3:C[5]-4:	C[3,3]-3:C[5]-4:C[3]-2:H[3]-2:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[3,3]C[3,3]C[3]H[3])(C[5]C[5]O[5]H)(N[5]C[6a]C[5])(C[5]O[5]HH)	C[3,3](C[3,3]C[3]H[3])(C[5]C[5]2N[5])(C[3]C[3,3])(H[3]C[3,3])	N[5](C[5]C[3,3]C[5]2)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[3,3]C[3,3]C[3]H[3])(C[5]C[5]O[5]H)(N[5]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[3,3](C[3,3]C[3]H[3])(C[5]C[5]2N[5])(C[3]C[3,3])(H[3]C[3,3]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	N[5](C[5]C[3,3]C[5]2)(C[6a]C[6a]2)(C[5]O[5]O){1|C<2>,1|C<4>,1|H<2>,1|O<2>,3|C<3>,5|H<1>}	111.9310	0.000	1	111.9310	0.000	1	111.9310	0.000	1	111.9310	0.000	1	111.9310	0.000	1	111.5818	4.300	9
474	486	542	0:SP3_SP2_SP3	C[5]	C[3]	N[5,6]	3:3:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[3]-4:C-3:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[3]C[3]2H)(CCH)	C[3](C[5]C[5,6a]N[5,6]C)(C[3]C[3]HH)2(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[3]C)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[3]C[3]2H)(CCH){4|C<3>,6|H<1>}	C[3](C[5]C[5,6a]N[5,6]C)(C[3]C[3]HH)2(H){4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[3]C)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	111.5818	4.300	9
474	486	542	0:SP3_SP2_SP3	C[5]	C[3]	N[5]	4:3:4:1:	4:4:4:1:	3:4:4:	C[5]-4:N[5]-3:C[3]-4:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H)	C[3](C[5]C[5]N[5]H)(C[3]C[3]HH)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H){2|C<3>,4|H<1>}	C[3](C[5]C[5]N[5]H)(C[3]C[3]HH)2(H){1|S<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	111.5768	8.678	4	111.5818	4.300	9
474	486	542	0:SP3_SP2_SP3	C[5]	C[3]	N[5]	4:4:3:1:	4:4:2:1:	4:4:3:	C[3]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[3]C[3]O[3]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[3](C[5]C[5]N[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	N[5](C[5]C[3]C[5]H)(C[5]O[5]CC)(COO)	C[5](C[3]C[3]O[3]H)(C[5]O[5]HH)(N[5]C[5]C)(H){4|C<4>}	C[3](C[5]C[5]N[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5](C[5]C[3]C[5]H)(C[5]O[5]CC)(COO){1|C<4>,1|O<2>,3|H<1>}	110.3280	0.000	1	110.3280	0.000	1	110.3280	0.000	1	110.3280	0.000	1	111.5768	8.678	4	111.5818	4.300	9
474	486	542	0:SP3_SP2_SP3	C[5]	C[3]	N[5]	4:4:3:1:	4:4:4:3:	4:4:3:	C[5,5]-4:C[3]-4:N[5]-3:H-1:	C[5]-4:C[3]-4:C[3]-4:C-3:	C[5]-4:C[5]-4:C-3:	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2C)(N[5]C[5]C)(H)	C[3](C[5]C[5,5]N[5]H)(C[3]C[3]HH)2(COO)	N[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HH)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2C)(N[5]C[5]C)(H){1|C<4>,1|O<2>,7|H<1>}	C[3](C[5]C[5,5]N[5]H)(C[3]C[3]HH)2(COO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HH)(CCO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	115.6160	0.000	1	115.6160	0.000	1	115.6160	0.000	1	115.6160	0.000	1	111.5768	8.678	4	111.5818	4.300	9
474	486	542	0:SP3_SP2_SP3	C[5]	C[3]	N[5]	4:4:3:2:	4:4:2:1:	4:3:4:	C[3]-4:C[5]-4:N[5]-3:O-2:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)(OO)	C[3](C[5]C[5]N[5]O)(C[3]O[3]HH)(O[3]C[3])(H)	N[5](C[5]C[3]C[5]O)(C[5]C[5]O)(CCHH)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)(OO){1|O<1>,4|H<1>}	C[3](C[5]C[5]N[5]O)(C[3]O[3]HH)(O[3]C[3])(H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[3]C[5]O)(C[5]C[5]O)(CCHH){1|C<4>,1|O<2>,5|H<1>}	111.6420	0.000	1	111.6420	0.000	1	111.6420	0.000	1	111.6420	0.000	1	111.5768	8.678	4	111.5818	4.300	9
474	486	542	0:SP3_SP3_SP3	C[5,5,6]	C[3,6]	N[5]	4:4:4:3:	4:4:2:1:	4:4:4:	C[4,5,5,6]-4:C[3,6]-4:C[5]-4:N[5]-3:	C[5,5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:	C[5,5,6](C[4,5,5,6]C[4,5,5]C[4,6]C[5])(C[3,6]C[3,6]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)	C[3,6](C[5,5,6]C[4,5,5,6]C[5]N[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	N[5](C[5,5,6]C[4,5,5,6]C[3,6]C[5])(C[5]C[5]HH)(CH3)	C[5,5,6](C[4,5,5,6]C[4,5,5]C[4,6]C[5])(C[3,6]C[3,6]O[3]H)(C[5]C[5]HH)(N[5]C[5]C){1|C<3>,2|C<4>,8|H<1>}	C[3,6](C[5,5,6]C[4,5,5,6]C[5]N[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,2|H<1>,6|C<4>}	N[5](C[5,5,6]C[4,5,5,6]C[3,6]C[5])(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	113.2150	0.000	1	113.2150	0.000	1	113.2150	0.000	1	113.2150	0.000	1	113.2150	0.000	1	111.4646	5.888	7
474	486	542	0:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5]	3:4:3:2:	4:4:2:4:	4:4:1:	C[5,6a]-3:C[3,5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[5,5]-4:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O[5]C[5])	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3)	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]CC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.0760	0.000	1	114.0760	0.000	1	114.0760	0.000	1	114.0760	0.000	1	112.8535	2.989	2	111.4646	5.888	7
474	486	542	0:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5]	4:4:3:1:	4:4:3:1:	4:4:4:	C[3x5]-4:C[3,5]-4:N[5]-3:H-1:	C[5,5]-4:C[3]-4:N[3,5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[3,5]N[3,5]C[3]H)(N[5]C[5]C)(H)	C[3,5](C[5,5]C[3x5]N[5]H)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,5]C[3])(H)	N[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[3,5]N[3,5]C[3]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[3,5](C[5,5]C[3x5]N[5]H)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,5]C[3])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	N[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	111.6310	0.000	1	111.6310	0.000	1	111.6310	0.000	1	111.6310	0.000	1	112.8535	2.989	2	111.4646	5.888	7
474	486	542	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	N[5]	4:4:3:1:	4:4:4:1:	4:4:4:	C[3,5,6]-4:C[5,6,6]-4:N[5]-3:H-1:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[5]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[6,6,6a]C[5,6]H)(N[5]C[5]2)(H)	C[3,5,6](C[3,6,6]C[6,6,6a]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6]C)(C[5,6]C[5,6,6]N[5]H)(H)	N[5](C[5,6]C[3,5,6]C[5,6,6]H)(C[5]C[5]HH)2	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[6,6,6a]C[5,6]H)(N[5]C[5]2)(H){2|C<3>,3|C<4>,7|H<1>}	C[3,5,6](C[3,6,6]C[6,6,6a]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6]C)(C[5,6]C[5,6,6]N[5]H)(H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[3,5,6]C[5,6,6]H)(C[5]C[5]HH)2{1|C<3>,3|C<4>,6|H<1>}	113.9330	0.000	1	113.9330	0.000	1	113.9330	0.000	1	113.9330	0.000	1	113.9330	0.000	1	111.4646	5.888	7
474	486	542	0:SP3_SP3_SP3	C[5]	C[3]	N[5]	4:3:4:1:	4:3:3:1:	3:4:4:	C[5]-4:N[5]-3:C[3]-4:H-1:	C[5]-4:C[3]-3:C[3]-3:H-1:	C[5,6a]-3:C[5]-4:S-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H)	C[3](C[5]C[5]N[5]H)(C[3]C[3]H)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H){2|C<3>,2|H<1>}	C[3](C[5]C[5]N[5]H)(C[3]C[3]H)2(H){1|S<4>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO){4|C<3>,4|H<1>}	108.6280	0.000	1	108.6280	0.000	1	108.6280	0.000	1	108.6280	0.000	1	109.1323	1.503	3	111.4646	5.888	7
474	486	542	0:SP3_SP3_SP3	C[5]	C[3]	N[5]	4:4:3:4:	4:4:2:4:	4:4:2:	C[3]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[5]-4:S-4:N[5]-2:	C[5](C[3]C[3]O[3]C)(C[5]C[5]HH)(N[5]N[5]S)(CH3)	C[3](C[5]C[5]N[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3)	N[5](C[5]C[3]C[5]C)(SC[6a]OO)(N[5]C[5])	C[5](C[3]C[3]O[3]C)(C[5]C[5]HH)(N[5]N[5]S)(CH3){1|C<3>,2|H<1>}	C[3](C[5]C[5]N[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	N[5](C[5]C[3]C[5]C)(SC[6a]OO)(N[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	109.3845	1.620	2	109.3845	2.624	2	109.3845	2.624	2	109.3845	2.624	2	109.1323	1.503	3	111.4646	5.888	7
474	486	542	5:SP3_SP2_SP3	C[5,5,6]	C[3,5,5]	N[5,6]	4:4:3:1:	4:4:4:4:	4:3:3:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:N[5,6]-3:C-3:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]C[6a]H)(N[5,6]N[5,6]C)(H)	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[3]C[3]HH)2	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]C[6a]H)(N[5,6]N[5,6]C)(H){3|C<3>,7|H<1>}	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[3]C[3]HH)2{3|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO){1|C<3>,2|H<1>,3|C<4>}	99.9161	0.000	1	99.9161	0.000	1	100.0416	0.031	2	100.0416	0.031	2	100.0416	0.031	2	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5,5,6]	C[3,5,5]	N[5,6]	4:4:3:1:	4:4:4:4:	4:3:3:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:N[5,6]-3:C-3:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]HH)(N[5,6]N[5,6]C)(H)	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[3]C[3]HH)2	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]HH)(N[5,6]N[5,6]C)(H){2|C<3>,6|H<1>}	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[3]C[3]HH)2{3|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO){3|C<4>,3|H<1>}	100.1670	0.000	1	100.1670	0.000	1	100.0416	0.031	2	100.0416	0.031	2	100.0416	0.031	2	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	N[5,5]	3:4:3:1:	4:4:2:1:	4:4:3:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(H)	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)(CC[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(H){2|H<1>,3|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){4|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)(CC[6a]O){1|O<2>,2|C<3>,2|H<1>}	101.4460	0.000	1	101.4460	0.000	1	101.4460	0.000	1	101.4460	0.000	1	100.4340	0.667	4	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	N[5,5]	3:4:3:1:	4:4:4:1:	4:4:3:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H)	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]CH)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H){3|C<3>,4|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]CH)(H){1|H<1>,3|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2(COO){1|C<4>,2|C<3>,2|H<1>}	99.7840	0.221	2	99.7840	0.049	2	99.7840	0.049	2	99.7840	0.049	2	100.4340	0.667	4	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	N[5,5]	3:4:3:3:	4:4:2:1:	4:4:3:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:C-3:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(CCO)	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)(CC[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(CCO){2|C<3>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|H<1>,3|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)(CC[6a]O){1|O<2>,2|C<3>,2|H<1>}	100.7220	0.000	1	100.7220	0.000	1	100.7220	0.000	1	100.7220	0.000	1	100.4340	0.667	4	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	N[5,5]	3:4:3:1:	3:3:4:2:	3:4:3:	N[5,5]-3:C[3,5,5]-4:C-3:H-1:	P[3,3,5]-3:P[3,3,5]-3:C[5,5]-4:O-2:	P[3,5,5]-3:C[5,5]-4:C[6a]-3:	C[5,5](N[5,5]P[3,5,5]C[6a])(C[3,5,5]P[3,3,5]2O)(CHN)(H)	C[3,5,5](P[3,3,5]P[3,3,5]P[3,5,5])2(C[5,5]N[5,5]CH)(OP[5])	N[5,5](P[3,5,5]P[3,3,5]2)(C[5,5]C[3,5,5]CH)(C[6a]C[6a]2)	C[5,5](N[5,5]P[3,5,5]C[6a])(C[3,5,5]P[3,3,5]2O)(CHN)(H){2|C<3>}	C[3,5,5](P[3,3,5]P[3,3,5]P[3,5,5])2(C[5,5]N[5,5]CH)(OP[5]){1|C<3>}	N[5,5](P[3,5,5]P[3,3,5]2)(C[5,5]C[3,5,5]CH)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>}	105.5510	0.000	1	105.5510	0.000	1	105.5510	0.000	1	105.5510	0.000	1	105.5510	0.000	1	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	N[5]	4:4:3:1:	4:4:4:1:	4:3:4:	C[3,5,5]-4:C[5]-4:N[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]N[5]H)(H)	N[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]N)(CC[6a]HH)	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|N<2>,3|H<1>}	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]N[5]H)(H){1|C<4>,1|N<2>,4|H<1>}	N[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	104.0000	0.000	1	104.0000	0.000	1	104.0000	0.000	1	104.0000	0.000	1	104.0000	0.000	1	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:3:2:	4:4:3:1:	3:4:4:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	104.0860	0.000	1	104.0860	0.000	1	104.0860	0.000	1	104.0860	0.000	1	103.6780	0.333	2	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:4:2:	4:4:3:1:	4:3:4:	C[3,5]-4:N[5,5]-3:C[5]-4:O-2:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(OH)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(OH){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){1|C<4>,2|C<3>,3|H<1>}	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	103.2700	0.000	1	103.2700	0.000	1	103.2700	0.000	1	103.2700	0.000	1	103.6780	0.333	2	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5,6]	C[3,5,5,6]	N[5]	4:3:3:1:	4:4:3:4:	4:3:4:	C[3,5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H)	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)	N[5](C[5,6]C[3,5,5,6]C[6]H)(C[5]C[3,5]O)(CCHH)	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	N[5](C[5,6]C[3,5,5,6]C[6]H)(C[5]C[3,5]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	102.4360	0.000	1	102.4360	0.000	1	102.4360	0.000	1	102.4360	0.000	1	102.4360	0.000	1	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5,6]	C[3,5,6]	N[5,6]	4:3:4:1:	4:4:4:2:	4:4:3:	C[3,5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(N[5,6]C[5,6]C[6])(C[6]C[6]HO)(H)	C[3,5,6](C[5,6]N[5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6])	N[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(N[5,6]C[5,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[3,5,6](C[5,6]N[5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	103.0800	1.054	2	103.0800	1.110	2	103.0800	1.110	2	103.0800	1.110	2	103.0800	1.110	2	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5,6]	C[3,5,6]	N[5]	4:4:3:1:	4:4:4:1:	4:3:4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(H)	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]N)(CC[6a]HH)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|N<2>,2|C<4>,4|H<1>}	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	103.5100	0.000	1	103.5100	0.000	1	103.5100	0.000	1	103.5100	0.000	1	102.7415	1.181	2	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5,6]	C[3,5,6]	N[5]	4:4:3:2:	4:4:4:2:	4:3:4:	C[3,5,6]-4:C[6]-4:N[5]-3:O-2:	C[3,5]-4:C[3,6]-4:C[5,6]-4:O-2:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]O)(C[6]C[6]HH)(N[5]C[5]C)(OH)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]O)(OC)	N[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]O)(CC[6a]HH)	C[5,6](C[3,5,6]C[3,5]C[3,6]O)(C[6]C[6]HH)(N[5]C[5]C)(OH){1|C<3>,1|C<4>,1|O<1>,3|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[5,6]C[6]N[5]O)(OC){1|O<1>,3|C<4>,3|H<1>}	N[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]O)(CC[6a]HH){1|O<2>,2|C<4>,3|H<1>}	101.9730	0.000	1	101.9730	0.000	1	101.9730	0.000	1	101.9730	0.000	1	102.7415	1.181	2	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5,6]	C[3,5]	N[5,6]	4:4:3:3:	4:4:3:3:	4:4:1:	C[3,5]-4:C[6]-4:N[5,6]-3:C-3:	C[5,6]-4:C[3]-4:N[3,5]-3:C-3:	C[5,6]-4:C[5,6]-4:H-1:	C[5,6](C[3,5]N[3,5]C[3]C)(C[6]C[6a]N[6]H)(N[5,6]C[5,6]H)(COO)	C[3,5](C[5,6]N[5,6]C[6]C)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,6]C[3])(COO)	N[5,6](C[5,6]N[3,5]C[6a]C[6])(C[5,6]C[3,5]C[6]C)(H)	C[5,6](C[3,5]N[3,5]C[3]C)(C[6]C[6a]N[6]H)(N[5,6]C[5,6]H)(COO){1|H<1>,5|C<3>}	C[3,5](C[5,6]N[5,6]C[6]C)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,6]C[3])(COO){1|N<2>,2|H<1>,5|C<3>}	N[5,6](C[5,6]N[3,5]C[6a]C[6])(C[5,6]C[3,5]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	103.7260	0.000	1	103.7260	0.000	1	103.7260	0.000	1	103.7260	0.000	1	103.7260	0.000	1	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5,6]	C[3,5]	N[5]	4:4:4:3:	4:4:2:1:	4:3:1:	C[3,5]-4:C[6]-4:C[6]-4:N[5]-3:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[6]C[6]HH)2(N[5]C[5]H)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6]C[6]2N[5])(O[3]C[3,5])(H)	N[5](C[5,6]C[3,5]C[6]2)(C[5]C[3,5]O)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[6]C[6]HH)2(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5,6]C[6]2N[5])(O[3]C[3,5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[3,5]C[6]2)(C[5]C[3,5]O)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	101.0960	0.000	1	101.0960	0.000	1	101.0960	0.000	1	101.0960	0.000	1	101.0960	0.000	1	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,3x5]	N[5]	4:3:1:1:	4:4:4:4:	4:4:3:	C[3,3x5]-4:N[5]-3:H-1:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[4x5,6]-4:C[5]-4:	C[5]-4:C[5]-4:C-3:	C[5](C[3,3x5]C[3,5,5]2C[4x5,6])(N[5]C[5]C)(H)2	C[3,3x5](C[3,5,5]C[3,5,5]C[3x5,6]H)2(C[4x5,6]C[3x5,6]2C[5])(C[5]N[5]HH)	N[5](C[5]C[3,3x5]HH)(C[5]C[4x5,6]HH)(CCO)	C[5](C[3,3x5]C[3,5,5]2C[4x5,6])(N[5]C[5]C)(H)2{4|C<4>,4|H<1>}	C[3,3x5](C[3,5,5]C[3,5,5]C[3x5,6]H)2(C[4x5,6]C[3x5,6]2C[5])(C[5]N[5]HH){1|C<3>,3|C<4>,6|H<1>}	N[5](C[5]C[3,3x5]HH)(C[5]C[4x5,6]HH)(CCO){4|C<4>}	102.4660	0.000	1	102.4660	0.000	1	102.4660	0.000	1	102.4660	0.000	1	102.4660	0.000	1	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5,5]	N[5]	4:3:1:1:	4:4:3:4:	4:3:4:	C[3,5,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(H)2	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH)	N[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O)(CSi2H)	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(H)2{1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O)(CSi2H){1|C<4>,1|H<1>,1|N<3>}	102.3720	0.000	2	102.3720	0.000	2	102.3720	0.000	2	102.3720	0.000	2	101.5945	1.373	4	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5,5]	N[5]	4:3:4:1:	4:4:3:4:	4:3:4:	C[3,5,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(CHHO)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH)	N[5](C[5]C[3,5,5]CH)(C[5]C[3,5]O)(CSi2H)	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(CHHO)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[3,5,5]CH)(C[5]C[3,5]O)(CSi2H){1|C<4>,1|H<1>,1|N<3>}	101.7390	0.000	1	101.7390	0.000	1	101.7390	0.000	1	101.7390	0.000	1	101.5945	1.373	4	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5,5]	N[5]	4:3:4:4:	4:4:4:4:	4:4:3:	C[3,5,5]-4:N[5]-3:C-4:C-4:	C[3,5]-4:C[3]-4:C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:C-3:	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]C[5]C)(CH3)2	C[3,5,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5,5]C[5]2H)(C[5]N[5]CC)	N[5](C[5]C[3,5,5]CC)(C[5]C[5,5]HH)(CC[6a]O)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]C[5]C)(CH3)2{2|C<4>,6|H<1>}	C[3,5,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5,5]C[5]2H)(C[5]N[5]CC){1|C<3>,6|H<1>}	N[5](C[5]C[3,5,5]CC)(C[5]C[5,5]HH)(CC[6a]O){1|H<1>,3|C<4>}	99.8949	0.000	1	99.8949	0.000	1	99.8949	0.000	1	99.8949	0.000	1	101.5945	1.373	4	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5,6,6]	N[5]	4:3:1:1:	4:4:4:4:	4:3:4:	C[3,5,6,6]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3x6]-4:C[3,6,6]-4:C[5]-4:	C[5]-4:C[5]-3:S-4:	C[5](C[3,5,6,6]C[3,6,6]C[3,5]C[3x6])(N[5]C[5]S)(H)2	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH)	N[5](C[5]C[3,5,6,6]HH)(C[5]C[3,5]O)(SC[6a]OO)	C[5](C[3,5,6,6]C[3,6,6]C[3,5]C[3x6])(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	N[5](C[5]C[3,5,6,6]HH)(C[5]C[3,5]O)(SC[6a]OO){1|C<3>,2|C<4>}	101.8720	0.000	1	101.8720	0.000	1	101.8720	0.000	1	101.8720	0.000	1	101.8720	0.000	1	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5,5]	3:4:1:1:	4:4:3:1:	3:4:4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|O<2>,2|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	104.1640	0.000	1	104.1640	0.000	1	104.1640	0.000	1	104.1640	0.000	1	103.3370	1.368	2	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5,5]	3:4:1:1:	4:4:3:1:	4:3:4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH)	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|C<3>,1|C<4>,1|O<2>}	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	102.5100	0.000	1	102.5100	0.000	1	102.5100	0.000	1	102.5100	0.000	1	103.3370	1.368	2	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:3:4:3:	4:4:3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:C[6a]-3:	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O)	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2)	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2{3|C<3>,3|H<1>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O){2|H<1>,3|C<3>}	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	101.9080	0.000	1	101.9080	0.000	1	101.9080	0.000	1	101.9080	0.000	1	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:2:1:	4:4:3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(CCO)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H){1|H<1>,2|C<3>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(CCO){1|O<2>,2|H<1>}	103.5110	0.000	1	103.5110	0.000	1	103.3200	0.073	2	103.3200	0.073	2	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:2:1:	4:4:3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H){1|H<1>,2|C<3>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO){1|O<2>,2|C<3>,2|H<1>}	103.1290	0.000	1	103.1290	0.000	1	103.3200	0.073	2	103.3200	0.073	2	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:3:3:	4:3:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C)	N[5](C[5]C[3,5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[3,5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	103.2200	0.000	1	103.2200	0.000	1	103.2200	0.000	1	103.2200	0.000	1	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:3:4:	4:3:3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(COO)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|O<1>,2|H<1>,5|C<3>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(COO){1|C<3>,1|C<4>,1|H<1>}	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:3:2:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]O)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(OC)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]O)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(OC){1|C<4>,2|H<1>}	101.5350	0.000	1	101.5350	0.000	1	101.5350	0.000	1	101.5350	0.000	1	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:3:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC3)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|C<4>,1|N<2>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC3){1|C<3>,1|C<4>,1|H<1>}	104.2520	0.000	1	104.2520	0.000	1	104.0945	0.050	2	103.6442	0.385	5	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:3:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC[6a]HH)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|C<4>,1|N<2>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	103.9370	0.000	1	103.9370	0.000	1	104.0945	0.050	2	103.6442	0.385	5	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:3:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|N<2>,1|S<4>,2|C<3>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	102.9690	0.000	1	102.9690	0.000	1	102.9755	0.000	2	103.6442	0.385	5	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:3:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	102.9820	0.000	1	102.9820	0.000	1	102.9755	0.000	2	103.6442	0.385	5	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:3:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CH3)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CH3){1|C<4>,2|H<1>}	104.0810	0.000	1	104.0810	0.000	1	104.0810	0.000	1	103.6442	0.385	5	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|H<1>,2|C<3>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO){1|C<4>,2|H<1>}	103.6340	0.000	1	103.6340	0.000	1	103.6340	0.000	1	103.6340	0.000	1	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:3:	4:3:3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[3,5]C[3,5]C[3]C[5])(N[5]C[6a]C[5])(H)2	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O)	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[3,5]C[3,5]C[3]C[5])(N[5]C[6a]C[5])(H)2{1|H<1>,2|O<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O){1|N<3>,2|O<1>,5|C<3>}	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	104.2070	0.000	1	104.2070	0.000	1	104.2070	0.000	1	104.8900	0.933	2	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:3:	4:3:3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[3,5]C[3]2N[5])(N[5]C[5]C)(H)2	C[3,5](C[3]C[3]Cl2)(C[3]C[3]HH)(C[5]N[5]HH)(N[5]C[5]C)	N[5](C[5]C[3,5]HH)(C[5]N[5]O)(COO)	C[5](C[3,5]C[3]2N[5])(N[5]C[5]C)(H)2{2|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3]C[3]Cl2)(C[3]C[3]HH)(C[5]N[5]HH)(N[5]C[5]C){1|C<3>,1|O<1>}	N[5](C[5]C[3,5]HH)(C[5]N[5]O)(COO){1|C<3>,2|C<4>}	105.5730	0.000	1	105.5730	0.000	1	105.5730	0.000	1	104.8900	0.933	2	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:4:	4:3:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:S-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(CH3)	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(CH3){1|O<1>,1|S<4>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(SC[6a]OO){1|C<3>,2|C<4>}	103.3640	0.000	1	103.3640	0.000	1	103.3640	0.000	1	103.3640	0.000	1	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:3:1:	4:3:4:3:	4:4:3:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[3,5]-3:C[3]-4:C[6a]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	103.8670	0.000	1	103.8670	0.000	1	103.8670	0.000	1	103.8670	0.000	1	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:3:1:	4:4:2:1:	4:4:3:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]N[5]H)(O[3]C[3,5])(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO)	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]N[5]H)(O[3]C[3,5])(H){2|H<1>,3|C<3>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO){1|O<2>,2|C<3>,2|H<1>}	101.5780	0.000	1	101.5780	0.000	1	101.5780	0.000	1	102.8200	3.085	2	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:3:1:	4:4:2:1:	4:4:3:	C[3,5]-4:N[5]-3:C-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(COO)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(CCO)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(COO)(H){3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H){1|C<3>,2|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(CCO){1|O<2>,2|H<1>}	104.0620	0.000	1	104.0620	0.000	1	104.0620	0.000	1	102.8200	3.085	2	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:N[5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]CH)(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H){1|O<1>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CCO){1|C<4>,2|H<1>}	103.6020	0.000	1	103.6020	0.000	1	103.6020	0.000	1	103.6020	0.000	1	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:3:1:	4:4:4:1:	4:3:4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)(CH3)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	102.4100	0.000	1	102.4100	0.000	1	102.4100	0.000	1	102.4100	0.000	1	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:3:1:	4:4:4:1:	4:4:1:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,5|C<3>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)(H){2|H<1>,5|C<3>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CH)(H){1|C<4>,2|C<3>,2|H<1>}	104.2695	1.801	2	104.2695	3.244	2	104.2695	3.244	2	104.1028	1.278	4	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:3:1:	4:4:4:1:	4:4:1:	C[3,5]-4:N[5]-3:C-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]H)(COO)(H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]CH)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CH)(H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]H)(COO)(H){2|H<1>,3|C<3>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CH)(H){1|C<4>,2|C<3>,2|H<1>}	103.9360	0.693	2	103.9360	0.480	2	103.9360	0.480	2	104.1028	1.278	4	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:3:1:	4:4:4:1:	4:4:3:	C[3,5]-4:N[5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]CH)(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H){5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]CH)(H){1|C<3>,2|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO){1|C<4>,2|H<1>}	102.9830	0.000	1	102.9830	0.000	1	102.9830	0.000	1	102.9830	0.000	1	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5]	4:3:4:1:	4:4:2:1:	4:3:1:	C[3,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]H)(CH3)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(H)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]H)(CH3)(H){1|C<4>,1|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|H<1>,1|O<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(H){1|C<4>,1|H<1>,1|O<2>}	101.9450	0.000	1	101.9450	0.000	1	101.9450	0.000	1	101.9450	0.000	1	103.4708	1.155	26	102.8482	2.204	51
474	486	542	5:SP3_SP3_SP3	C[3x5,6,6]	C[3,5,6]	N[5,5,6]	4:3:4:2:	4:4:3:4:	4:3:3:	C[3,5,6]-4:N[5,5,6]-3:C[5,6,6]-4:O[5,5]-2:	C[3x5,6,6]-4:C[3,6]-4:C[5,6a]-3:C[3]-4:	C[3x5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[3x5,6,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[5,5,6]C[5,6a]C[5,6])(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH)	N[5,5,6](C[3x5,6,6]C[3,5,6]C[5,6,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]O)	C[3x5,6,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[5,5,6]C[5,6a]C[5,6])(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6]){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[3,5,6](C[3x5,6,6]C[5,6,6]N[5,5,6]O[5,5])(C[3,6]C[6a]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(C[3]C[3,6]HH){3|C<4>,4|H<1>,5|C<3>}	N[5,5,6](C[3x5,6,6]C[3,5,6]C[5,6,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]O){2|H<1>,3|C<3>,4|C<4>}	106.0630	0.000	1	106.0630	0.000	1	106.0630	0.000	1	106.0630	0.000	1	106.0630	0.000	1	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5,6]	C[3,5,5]	N[5,6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:C[5]-4:	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H)	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,9|H<1>}	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	99.1710	0.000	1	99.1710	0.000	1	99.1710	0.000	1	99.1710	0.000	1	99.1710	0.000	1	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5,5]	N[5]	4:3:2:4:	4:4:4:3:	4:4:4:	C[3,5,5]-4:N[5]-3:O[5]-2:C-4:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5]-4:S-4:	C[5,5](C[3,5,5]C[3,5]2C[6a])(N[5]C[5]S)(O[5]C[5])(CH3)	C[3,5,5](C[3,5]C[3,5]C[5]H)2(C[5,5]N[5]O[5]C)(C[6a]C[6a]2)	N[5](C[5,5]C[3,5,5]O[5]C)(C[5]C[3,5]HH)(SC[6a]OO)	C[5,5](C[3,5,5]C[3,5]2C[6a])(N[5]C[5]S)(O[5]C[5])(CH3){2|C<3>,6|H<1>}	C[3,5,5](C[3,5]C[3,5]C[5]H)2(C[5,5]N[5]O[5]C)(C[6a]C[6a]2){1|S<4>,2|C<3>,6|H<1>}	N[5](C[5,5]C[3,5,5]O[5]C)(C[5]C[3,5]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	102.3630	0.000	1	102.3630	0.000	1	102.3630	0.000	1	102.3630	0.000	1	102.3660	0.000	2	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5,5]	N[5]	4:4:3:4:	4:4:4:4:	4:3:1:	C[3,5,5]-4:C[5]-4:N[5]-3:C-4:	C[3,5]-4:C[5,5]-4:C[3]-4:C[5]-4:	C[5,5]-4:N[5]-3:H-1:	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(N[5]N[5]H)(CH3)	C[3,5,5](C[3,5]C[3]C[5]Si)(C[5,5]C[5]N[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)	N[5](C[5,5]C[3,5,5]C[5]C)(N[5]C[5]C)(H)	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(N[5]N[5]H)(CH3){1|Si<4>,1|C<3>,6|H<1>}	C[3,5,5](C[3,5]C[3]C[5]Si)(C[5,5]C[5]N[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH){1|C<3>,5|H<1>}	N[5](C[5,5]C[3,5,5]C[5]C)(N[5]C[5]C)(H){3|C<4>,4|H<1>}	102.3690	0.000	1	102.3690	0.000	1	102.3690	0.000	1	102.3690	0.000	1	102.3660	0.000	2	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:3:2:	4:4:3:1:	3:4:4:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){1|O<1>,2|C<3>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	104.4800	0.206	3	104.4800	0.042	3	104.4800	0.042	3	104.4800	0.042	3	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:3:2:	4:4:3:1:	4:3:4:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){2|H<1>,3|C<3>}	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	102.8110	0.000	1	102.8110	0.000	1	102.8110	0.000	1	102.8110	0.000	1	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:3:3:	4:4:4:3:	4:4:4:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]C[5,6a]2N[5,5])(C[3]C[3,5]CH)(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,2|C<4>,5|H<1>,7|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]C[5,6a]2N[5,5])(C[3]C[3,5]CH)(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,7|C<3>}	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	100.7000	0.000	1	100.7000	0.000	1	100.7000	0.000	1	105.6782	7.875	5	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:3:3:	4:4:4:3:	4:4:4:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]CH)(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){2|C<4>,6|C<3>,6|H<1>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]CH)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	106.7770	0.000	1	106.7770	0.000	1	106.8035	0.001	2	105.6782	7.875	5	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:3:3:	4:4:4:3:	4:4:4:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|H<1>,6|C<3>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,8|C<3>}	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	106.8300	0.000	1	106.8300	0.000	1	106.8035	0.001	2	105.6782	7.875	5	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:3:3:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[3,5](C[3,5]C[5,5]C[3]C)(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{3|C<4>,4|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,5]C[3]C)(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	106.5600	0.000	1	106.5600	0.000	1	107.0420	0.465	2	105.6782	7.875	5	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:3:3:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{2|C<4>,4|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|O<1>,3|H<1>,8|C<3>}	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	107.5240	0.000	1	107.5240	0.000	1	107.0420	0.465	2	105.6782	7.875	5	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:3:3:	4:4:4:4:	4:4:4:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]HH)(CH3)	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{2|C<3>,2|C<4>,6|H<1>}	C[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]HH)(CH3){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<1>,5|H<1>}	105.9490	0.141	2	105.9490	0.020	2	105.9490	0.020	2	105.9490	0.020	2	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:3:4:	4:4:4:3:	4:4:4:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO)	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO){3|C<4>,5|H<1>,6|C<3>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,4|H<1>,8|C<3>}	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	105.6140	0.000	1	105.6140	0.000	1	105.6140	0.000	1	105.6140	0.000	1	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:4:1:	4:4:2:1:	4:4:4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	C[3,5](C[5,5]N[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH)	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,5|H<1>}	C[3,5](C[5,5]N[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|O<2>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH){3|O<2>,4|H<1>}	103.8000	0.000	1	103.8000	0.000	1	103.8000	0.000	1	103.8000	0.000	1	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:4:1:	4:4:4:1:	4:4:4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[3]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[5,5]C[3]C)(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]HH)(H)	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[3]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[3,5](C[3,5]C[5,5]C[3]C)(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<1>,5|H<1>}	105.1070	0.000	1	105.1070	0.000	1	105.1070	0.000	1	105.1070	0.000	1	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:4:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	103.6890	0.000	1	103.6890	0.000	1	106.2268	2.112	5	106.2268	2.112	5	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:4:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	106.4890	0.000	1	106.4890	0.000	1	106.2268	2.112	5	106.2268	2.112	5	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:4:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,8|C<3>}	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	107.2970	0.000	1	107.2970	0.000	1	106.2268	2.112	5	106.2268	2.112	5	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:4:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){3|C<4>,4|H<1>,7|C<3>}	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	106.6480	0.000	1	106.8295	0.066	2	106.2268	2.112	5	106.2268	2.112	5	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:4:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,8|C<3>}	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	107.0110	0.000	1	106.8295	0.066	2	106.2268	2.112	5	106.2268	2.112	5	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5,5]	4:3:4:1:	4:4:4:4:	4:4:4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(CH3)	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(CH3){2|C<4>,2|H<1>,4|C<3>}	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	106.5670	0.000	1	106.5670	0.000	1	106.5670	0.000	1	106.5670	0.000	1	105.4381	3.038	20	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,5]	C[3,5]	N[5]	3:4:3:3:	4:3:4:4:	4:4:1:	C[5,6a]-3:C[3,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:N[3,5]-3:C[3]-4:C-4:	C[5,5]-4:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H)	C[3,5](C[5,5]C[5,6a]C[5]N[5])(N[3,5]C[3]C[5])(C[3]N[3,5]CH)(CH3)	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]N[3,5]C[6a]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H){4|C<3>,4|H<1>}	C[3,5](C[5,5]C[5,6a]C[5]N[5])(N[3,5]C[3]C[5])(C[3]N[3,5]CH)(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]N[3,5]C[6a]H)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	105.2760	0.000	1	105.2760	0.000	1	105.2760	0.000	1	105.2760	0.000	1	105.2760	0.000	1	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,6]	C[3,5,6]	N[5]	4:3:3:3:	4:4:4:1:	4:4:4:	C[3,5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[3,5]-4:C[3,6]-4:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	C[3,5,6](C[5,6]C[6a]C[6]N[5])(C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(H)	N[5](C[5,6]C[3,5,6]C[6a]C[6])(C[5]C[3,5]HH)(SC[6a]OO)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){4|C<3>,6|H<1>}	C[3,5,6](C[5,6]C[6a]C[6]N[5])(C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(H){1|O<1>,1|S<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[3,5,6]C[6a]C[6])(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	101.0370	0.000	1	101.0370	0.000	1	101.0370	0.000	1	101.0370	0.000	1	102.9320	2.955	3	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,6]	C[3,5,6]	N[5]	4:4:3:1:	4:4:4:1:	4:4:4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(H)	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|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[5,6]C[6]N[5]H)(H){1|C<4>,1|S<4>,6|H<1>}	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO){1|C<3>,2|C<4>,3|H<1>}	104.3910	0.000	1	104.3910	0.000	1	104.3910	0.000	1	104.3910	0.000	1	102.9320	2.955	3	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,6]	C[3,5,6]	N[5]	4:4:3:1:	4:4:4:3:	4:4:4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-4:S-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]C[6a])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(C[6a]C[6a]2)	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO)	C[5,6](C[3,5,6]C[3,5]C[3,6]C[6a])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,7|H<1>}	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	103.3680	0.000	1	103.3680	0.000	1	103.3680	0.000	1	103.3680	0.000	1	102.9320	2.955	3	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5,6]	C[3,5]	N[5,6]	3:4:3:1:	4:4:4:3:	4:4:2:	C[6,6a]-3:C[3,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[3]-4:C[3,5]-4:C-3:	C[5,6]-4:C[6]-4:O[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H)	C[3,5](C[5,6]C[6,6a]N[5,6]H)(C[3]C[3,5]C[5,6]C)(C[3,5]C[3]O[5]C)(COO)	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H){1|N<3>,2|H<1>,6|C<3>}	C[3,5](C[5,6]C[6,6a]N[5,6]H)(C[3]C[3,5]C[5,6]C)(C[3,5]C[3]O[5]C)(COO){2|C<4>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5]){2|C<4>,6|C<3>}	105.1420	0.000	1	105.1420	0.000	1	105.1420	0.000	1	105.1420	0.000	1	105.1420	0.000	1	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5,5]	N[5]	4:3:1:1:	4:4:4:4:	4:3:3:	C[3,5,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C[5]-4:	C[5]-4:N[5]-3:C-3:	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]N[5]C)(H)2	C[3,5,5](C[3,5]C[3]C[5]Si)(C[5,5]C[5]N[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)	N[5](C[5]C[3,5,5]HH)(N[5]C[5,5]H)(CC[6a]O)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]N[5]C)(H)2{1|Si<4>,3|C<4>,3|H<1>}	C[3,5,5](C[3,5]C[3]C[5]Si)(C[5,5]C[5]N[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH){1|C<3>,5|H<1>}	N[5](C[5]C[3,5,5]HH)(N[5]C[5,5]H)(CC[6a]O){4|C<4>}	101.7680	0.000	1	101.7680	0.000	1	101.7680	0.000	1	101.7680	0.000	1	101.7680	0.000	1	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5,5]	3:4:1:1:	4:4:3:1:	3:4:4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|O<2>,2|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	104.1870	0.057	3	104.1870	0.003	3	104.1870	0.003	3	104.1870	0.003	3	103.8608	0.522	5	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5,5]	3:4:1:1:	4:4:3:1:	4:3:4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[5,5]-4:C[5,6]-3:C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH)	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|O<2>,2|C<3>}	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	102.5710	0.000	1	102.5710	0.000	1	102.5710	0.000	1	102.5710	0.000	1	103.8608	0.522	5	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5,5]	4:3:1:1:	4:4:2:1:	4:4:4:	C[3,5]-4:N[5,5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5,5]C[5])(H)2	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]N[5,5]HH)(O[3]C[3,5])(H)	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH)	C[5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5,5]C[5])(H)2{3|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]N[5,5]HH)(O[3]C[3,5])(H){1|H<1>,2|C<4>}	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH){3|O<2>,4|H<1>}	104.1720	0.000	1	104.1720	0.000	1	104.1720	0.000	1	104.1720	0.000	1	103.8608	0.522	5	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:3:4:1:	4:4:3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5](C[3,5]N[3,5]C[3]H)(N[5]C[6a]C[5])(H)2	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(H)	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)	C[5](C[3,5]N[3,5]C[3]H)(N[5]C[6a]C[5])(H)2{2|H<1>,4|C<3>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(H){1|H<1>,4|C<3>}	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	102.9950	0.000	1	102.9950	0.000	1	102.9950	0.000	1	102.9950	0.000	1	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:3:4:2:	4:3:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[5]-4:C[5]-3:S-4:	C[5](C[3,5]C[3,5]C[6a]O[3])(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5])	N[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[6a]O[3])(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5]){1|S<4>,2|H<1>,3|C<3>}	N[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(SC[6a]OO){1|C<3>,1|H<1>,1|O<2>}	104.3540	0.000	1	104.3540	0.000	1	104.3540	0.000	1	104.3540	0.000	1	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:3:4:3:	4:4:3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[5]-4:C[5]-4:C[6a]-3:	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O)	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2)	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2{3|C<3>,3|H<1>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O){2|H<1>,3|C<3>}	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	103.7370	0.000	1	103.7370	0.000	1	103.7370	0.000	1	103.7370	0.000	1	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:2:1:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]HH)(O[3]C[3,5])(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2{1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]HH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	102.6470	0.000	1	102.6470	0.000	1	103.7640	1.130	3	103.7640	1.130	3	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:2:1:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|O<2>,2|H<1>}	104.3225	0.623	2	104.3225	0.388	2	103.7640	1.130	3	103.7640	1.130	3	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:2:4:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(CH3)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|S<4>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	103.8750	0.000	1	103.8750	0.000	1	103.8750	0.000	1	103.8750	0.000	1	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:3:4:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(H)2{3|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,2|C<3>,4|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	105.1210	0.000	1	105.1210	0.000	1	105.1210	0.000	1	105.1210	0.000	1	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5,5]S)(H)2	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5]N[5]HH)(H)	N[5](C[5,5]C[3,5,5]O[5]C)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[5,5]C[3,5,5]O[5]C)(C[5]C[3,5]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	103.9100	0.000	1	103.9100	0.000	1	103.9100	0.000	1	103.0849	1.308	15	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(C[5]N[5]HH)(H){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>}	103.9930	0.000	1	103.9930	0.000	1	103.1683	0.818	7	103.0849	1.308	15	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	102.1370	0.000	1	102.3210	0.068	2	103.1683	0.818	7	103.0849	1.308	15	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	102.5050	0.000	1	102.3210	0.068	2	103.1683	0.818	7	103.0849	1.308	15	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|S<4>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	103.7090	0.000	1	103.7090	0.000	1	103.1683	0.818	7	103.0849	1.308	15	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)2(SCOO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SCOO){1|C<3>,1|C<4>,1|H<1>}	103.0040	0.000	1	103.0040	0.000	1	103.1683	0.818	7	103.0849	1.308	15	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	102.3460	0.000	1	102.3460	0.000	1	103.1683	0.818	7	103.0849	1.308	15	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	104.4840	0.000	1	104.4840	0.000	1	103.1683	0.818	7	103.0849	1.308	15	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)2(CH3)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[3,5]HH)2(CH3){1|C<4>,2|H<1>}	104.7725	1.043	2	104.7725	1.088	2	104.7725	1.088	2	103.0849	1.308	15	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]2C[5])(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]2C[5])(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|H<1>,2|C<4>}	101.9150	0.368	4	101.9150	0.136	4	102.1280	0.329	5	103.0849	1.308	15	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)(H)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	102.9800	0.000	1	102.9800	0.000	1	102.1280	0.329	5	103.0849	1.308	15	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:2:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-2:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]N[5]HH)(CC)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{2|C<4>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]N[5]HH)(CC){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>}	103.9650	0.000	1	103.9650	0.000	1	103.9650	0.000	1	103.9650	0.000	1	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2	C[3,5](C[3,5,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CCH)	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CCH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	104.3600	0.000	1	104.3600	0.000	1	104.5407	1.645	3	103.4791	1.009	10	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CCH)	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2{2|C<4>,3|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CCH){1|S<4>,2|C<4>,3|H<1>}	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO){1|C<3>,2|C<4>,3|H<1>}	105.9040	0.000	1	105.9040	0.000	1	104.5407	1.645	3	103.4791	1.009	10	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CHO)	N[5](C[5,6]C[3,5,6]C[6a]C[6])(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2{2|H<1>,3|C<3>}	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CHO){1|O<1>,1|S<4>,3|C<3>}	N[5](C[5,6]C[3,5,6]C[6a]C[6])(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	103.3580	0.000	1	103.3580	0.000	1	104.5407	1.645	3	103.4791	1.009	10	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]N[5]HH)(CCH)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]N[5]HH)(CCH){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	103.6240	0.000	1	103.6240	0.000	1	103.1142	0.204	5	103.4791	1.009	10	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]N[5]HH)(CC[6a]O)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]N[5]HH)(CC[6a]O){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	102.4120	0.000	1	102.4120	0.000	1	103.1142	0.204	5	103.4791	1.009	10	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(CCH)	N[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(CCH){1|C<3>,1|C<4>,1|S<4>}	N[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	103.3360	0.000	1	103.3360	0.000	1	103.1142	0.204	5	103.4791	1.009	10	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(CCH)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(CCH){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	103.1770	0.000	1	103.1770	0.000	1	103.1142	0.204	5	103.4791	1.009	10	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(CC[6a]O)	N[5](C[5]C[3,5]HH)2(SCOO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(CC[6a]O){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SCOO){1|C<3>,1|C<4>,1|H<1>}	103.0220	0.000	1	103.0220	0.000	1	103.1142	0.204	5	103.4791	1.009	10	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(CCH)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(CCH){1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	102.8380	0.000	1	102.8380	0.000	1	102.8380	0.000	1	103.4791	1.009	10	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:3:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[3]-4:C[5]-4:N[3]-3:	C[5]-4:C[5]-4:C-4:	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S)	N[5](C[5]C[3,5]HH)(C[5]C[5]CH)(CCHH)	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[3,5]HH)(C[5]C[5]CH)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	102.7600	0.000	1	102.7600	0.000	1	102.7600	0.000	1	103.4791	1.009	10	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:4:	4:3:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-4:	C[5]-4:C[6a]-3:C[5]-4:	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]C[5])(H)2	C[3,5](C[3]C[3]HH)2(C[5]C[5]HN)(C[5]N[5]HH)	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]C[5])(H)2{1|N<4>,2|C<3>,7|H<1>}	C[3,5](C[3]C[3]HH)2(C[5]C[5]HN)(C[5]N[5]HH){1|C<3>,2|H<1>}	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,1|F<1>,1|H<1>,1|N<4>,2|C<3>,2|C<4>}	102.6780	0.000	1	102.6780	0.000	1	102.6780	0.000	1	102.6780	0.000	1	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:4:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]2C[3])(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]2C[3])(N[5]C[5]S)(H)2{4|C<4>,4|H<1>}	C[3,5](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH){1|N<3>,1|S<4>,2|C<4>,6|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){3|C<4>}	103.8335	0.753	2	103.8335	0.567	2	103.8335	0.567	2	102.9549	0.413	12	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:4:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3,5]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(CH3)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	C[3,5](C[3,5]C[3,5]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(CH3){1|S<4>,2|H<1>,3|C<4>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){3|C<4>}	103.6530	0.262	2	103.6530	0.068	2	102.9303	0.330	6	102.9549	0.413	12	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:4:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(CC[5]HH)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(CC[5]HH){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){3|C<4>}	102.5100	0.000	2	102.5100	0.000	2	102.9303	0.330	6	102.9549	0.413	12	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:4:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(CH3)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(CH3){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){3|C<4>}	102.6280	0.000	2	102.6280	0.000	2	102.9303	0.330	6	102.9549	0.413	12	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:4:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|H<1>,2|C<4>}	102.4000	0.024	2	102.5525	0.045	4	102.5525	0.045	4	102.9549	0.413	12	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:4:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH){1|S<4>,3|C<3>,5|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|H<1>,2|C<4>}	102.8510	0.000	1	102.5525	0.045	4	102.5525	0.045	4	102.9549	0.413	12	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:1:1:	4:4:4:4:	4:4:4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH)	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH){1|S<4>,4|C<3>,4|H<1>}	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|H<1>,2|C<4>}	102.5590	0.000	1	102.5525	0.045	4	102.5525	0.045	4	102.9549	0.413	12	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:3:1:	4:3:4:3:	4:4:3:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[3,5]-3:C[3]-4:C[6a]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|H<1>,7|C<3>}	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	101.9970	0.000	1	101.9970	0.000	1	101.9970	0.000	1	101.9970	0.000	1	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:3:1:	4:4:4:3:	4:2:4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[5]-4:O[5]-2:C-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	N[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(CH3)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(CH3){1|C<4>,4|C<3>}	103.0620	0.000	1	103.0620	0.000	1	103.0620	0.000	1	103.0620	0.000	1	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:3:1:	4:4:4:3:	4:4:4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-3:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(COO)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|C<3>,7|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(COO){1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	102.5490	0.000	1	102.5490	0.000	1	102.5490	0.000	1	102.5490	0.000	1	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:4:1:	4:4:2:1:	4:4:4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	102.4880	0.000	1	102.4880	0.000	1	103.5262	0.773	6	103.5262	0.773	6	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:4:1:	4:4:2:1:	4:4:4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	N[5](C[5]C[3,5]CH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H){1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	N[5](C[5]C[3,5]CH)2(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	103.7900	1.057	3	103.7900	1.116	3	103.5262	0.773	6	103.5262	0.773	6	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:4:1:	4:4:2:1:	4:4:4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHHO)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHHO)(H){3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|O<2>,2|H<1>}	103.6495	0.561	2	103.6495	0.314	2	103.5262	0.773	6	103.5262	0.773	6	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:4:1:	4:4:2:4:	4:4:4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H){3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	102.8020	0.000	1	102.8020	0.000	1	102.9608	0.819	4	102.9608	0.819	4	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:4:1:	4:4:2:4:	4:4:4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3)	N[5](C[5]C[3,5]CH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|S<4>}	N[5](C[5]C[3,5]CH)2(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	103.0137	1.101	3	103.0137	1.212	3	102.9608	0.819	4	102.9608	0.819	4	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:4:3:	3:4:3:4:	4:4:1:	C[3,5]-4:N[5]-3:C-4:C-3:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CCHH)(COO)	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC)	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]CC)(H)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CCHH)(COO){3|C<3>,3|H<1>}	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC){3|C<3>,4|H<1>}	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]CC)(H){1|C<4>,3|C<3>}	103.7550	0.000	1	103.7550	0.000	1	103.7550	0.000	1	103.7550	0.000	1	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:4:3:	4:3:3:4:	4:4:1:	C[3,5]-4:N[5]-3:C-4:C-3:	C[3]-4:N[3,5]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CH3)(COO)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]CC)(H)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CH3)(COO){2|H<1>,4|C<3>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC){4|H<1>,5|C<3>}	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]CC)(H){1|C<4>,3|C<3>}	104.2960	0.000	1	104.2960	0.000	1	104.2960	0.000	1	104.2960	0.000	1	103.2673	0.873	63	103.7230	2.390	98
474	486	542	5:SP3_SP3_SP3	C[5]	C[3,5]	N[5]	4:3:4:3:	4:4:4:1:	4:4:4:	C[3,5]-4:N[5]-3:C-4:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(CF3)(COO)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]CC)(H)	N[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(CF3)(COO){1|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]CC)(H){1|S<4>,2|H<1>}	N[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	102.6390	0.000	1	102.6390	0.000	1	102.6390	0.000	1	102.6390	0.000	1	103.2673	0.873	63	103.7230	2.390	98
474	486	542	6:SP3_SP2_SP3	C[5,4x6]	C[3,3x6]	N[5,6,6]	4:3:3:3:	4:4:4:2:	4:4:3:	C[3,3x6]-4:N[5,6,6]-3:N[5,6]-3:C[6,6]-3:	C[5,4x6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6])	N[5,6,6](C[5,4x6]C[3,3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,2|O<1>,3|C<3>,5|H<1>}	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[5,6,6](C[5,4x6]C[3,3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	107.6380	0.000	1	107.6380	0.000	1	107.6380	0.000	1	107.6380	0.000	1	107.6380	0.000	1	108.1150	27.728	3
474	486	542	6:SP3_SP2_SP3	C[5,4x6]	C[3,3x6]	N[5,6]	4:3:3:3:	4:4:4:2:	4:3:3:	C[3,3x6]-4:N[5,6,6]-3:N[5,6]-3:C[6,6]-3:	C[5,4x6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6])	N[5,6](C[5,4x6]C[3,3x6]N[5,6,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,2|O<1>,3|C<3>,5|H<1>}	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[5,6](C[5,4x6]C[3,3x6]N[5,6,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	108.1150	27.728	3
474	486	542	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	N[5,6]	4:4:3:1:	4:4:2:1:	4:3:3:	C[3,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]N[5,6]H)(O[3]C[3,5,6])(H)	N[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO)	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){1|O<1>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]N[5,6]H)(O[3]C[3,5,6])(H){2|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO){1|C<4>,1|O<2>,4|H<1>}	103.1040	0.000	1	103.1040	0.000	1	103.1040	0.000	1	103.1040	0.000	1	103.1040	0.000	1	108.1150	27.728	3
474	486	542	6:SP3_SP3_SP3	C[5,6,6]	C[3,6,6]	N[5,6]	4:4:3:1:	4:4:4:2:	4:4:4:	C[5,5,6]-4:C[3,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H)	C[3,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(C[3]O[3]CH)(O[3]C[3])	N[5,6](C[5,6,6]C[3,6,6]C[5,5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	C[3,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(C[3]O[3]CH)(O[3]C[3]){2|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6,6]C[3,6,6]C[5,5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	111.6190	0.013	2
474	486	542	6:SP3_SP3_SP3	C[5,6]	C[3,6]	N[5,6]	4:3:4:1:	4:4:2:1:	4:4:3:	C[3,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[3,6]C[3,6]O[3]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[3,6](C[5,6]N[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	N[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)	C[5,6](C[3,6]C[3,6]O[3]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3,6](C[5,6]N[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O){1|C<4>,1|O<2>,5|H<1>}	111.5380	0.000	1	111.5380	0.000	1	111.5380	0.000	1	111.5380	0.000	1	111.5380	0.000	1	111.6190	0.013	2
474	486	562	5:SP3_SP3_SP3	C[5]	C[3,5]	Si[5]	4:4:1:1:	4:4:3:1:	4:4:3:3:	C[3,5]-4:Si[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]N[3]H)(Si[5]C[6a]2C[5])(H)2	C[3,5](C[3,5]C[5]N[3]H)(C[5]Si[5]HH)(N[3]C[3,5]S)(H)	Si[5](C[5]C[3,5]HH)2(C[6a]C[6a]2)2	C[5](C[3,5]C[3,5]N[3]H)(Si[5]C[6a]2C[5])(H)2{1|S<4>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5]N[3]H)(C[5]Si[5]HH)(N[3]C[3,5]S)(H){2|C<3>,2|H<1>}	Si[5](C[5]C[3,5]HH)2(C[6a]C[6a]2)2{1|N<3>,4|C<3>,6|H<1>}	104.8227	0.234	6	104.8227	0.055	6	104.8227	0.055	6	104.8227	0.055	6	104.8227	0.055	6	104.8227	0.055	6
474	486	622	0:SP3_SP2_SP3	C[5,6,6]	C[3,5,6]	O[6]	4:2:4:2:	4:4:4:2:	4:3:	C[3,5,6]-4:O[5,6]-2:C[6]-4:O[6]-2:	C[5,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[5,6,6]-4:C[6]-3:	C[5,6,6](C[3,5,6]C[3,6]C[5,6]O[3])(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(O[6]C[6])	C[3,5,6](C[5,6,6]O[5,6]C[6]O[6])(C[5,6]C[5,6,6]C[6]H)(C[3,6]C[6,6]O[3]C)(O[3]C[3,6])	O[6](C[5,6,6]C[3,5,6]O[5,6]C[6])(C[6]C[6,6]O)	C[5,6,6](C[3,5,6]C[3,6]C[5,6]O[3])(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(O[6]C[6]){1|O<1>,3|H<1>,5|C<4>}	C[3,5,6](C[5,6,6]O[5,6]C[6]O[6])(C[5,6]C[5,6,6]C[6]H)(C[3,6]C[6,6]O[3]C)(O[3]C[3,6]){2|C<3>,3|C<4>,6|H<1>}	O[6](C[5,6,6]C[3,5,6]O[5,6]C[6])(C[6]C[6,6]O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	105.5450	12.487	6
474	486	622	0:SP3_SP2_SP3	C[5,6]	C[3,5]	O[6]	4:4:2:4:	4:4:4:1:	4:3:	C[3,5]-4:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(CH3)	C[3,5](C[5,6]C[5,6]O[6]C)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(H)	O[6](C[5,6]C[3,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(CH3){1|C<4>,2|C<3>,6|H<1>}	C[3,5](C[5,6]C[5,6]O[6]C)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	O[6](C[5,6]C[3,5]C[5,6]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,2|H<1>,5|C<4>}	102.1735	0.224	2	102.1735	0.050	2	102.1735	0.050	2	102.1735	0.050	2	105.0120	13.479	5	105.5450	12.487	6
474	486	622	0:SP3_SP2_SP3	C[5,6]	C[3,5]	O[6]	4:4:4:2:	4:4:4:1:	4:3:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[3,5,6]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-3:	C[5,6](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]O[6])(H)	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6])	C[5,6](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,4|C<4>,4|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]O[6])(H){1|C<3>,5|C<4>,8|H<1>}	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6]){2|C<3>,5|H<1>,6|C<4>}	106.6890	0.000	1	106.6890	0.000	1	106.6890	0.000	1	106.9043	13.504	3	105.0120	13.479	5	105.5450	12.487	6
474	486	622	0:SP3_SP2_SP3	C[5,6]	C[3,5]	O[6]	4:4:4:2:	4:4:4:1:	4:3:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:C[6,6]-3:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[3,5](C[5,6]C[5]C[6]O[6])(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(H)	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,2|C<4>,6|H<1>}	C[3,5](C[5,6]C[5]C[6]O[6])(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[5,6]C[6,6]){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	110.6820	0.000	1	110.6820	0.000	1	107.0120	26.938	2	106.9043	13.504	3	105.0120	13.479	5	105.5450	12.487	6
474	486	622	0:SP3_SP2_SP3	C[5,6]	C[3,5]	O[6]	4:4:4:2:	4:4:4:1:	4:3:	C[3,5]-4:C[5]-4:C[6]-4:O[6]-2:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:C[6,6]-3:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6])	C[3,5](C[5,6]C[5]C[6]O[6])(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(H)	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,3|C<4>,5|H<1>}	C[3,5](C[5,6]C[5]C[6]O[6])(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	O[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6]){2|C<3>,5|H<1>,6|C<4>}	103.3420	0.000	1	103.3420	0.000	1	107.0120	26.938	2	106.9043	13.504	3	105.0120	13.479	5	105.5450	12.487	6
474	486	622	6:SP3_SP2_SP3	C[5,4x6]	C[3,3x6]	O[6]	4:4:4:2:	4:4:3:2:	4:3:	C[3,3x6]-4:C[5,6,6]-4:C[5,6,6]-4:O[6]-2:	C[5,4x6]-4:C[3,6,6]-4:C[6]-3:O[3]-2:	C[5,4x6]-4:C[6,6a]-3:	C[5,4x6](C[3,3x6]C[3,6,6]C[6]O[3])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(O[6]C[6,6a])	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6])	O[6](C[5,4x6]C[3,3x6]C[5,6,6]2)(C[6,6a]C[6,6a]C[6a])	C[5,4x6](C[3,3x6]C[3,6,6]C[6]O[3])(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(O[6]C[6,6a]){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O[6](C[5,4x6]C[3,3x6]C[5,6,6]2)(C[6,6a]C[6,6a]C[6a]){2|H<1>,2|O<2>,4|C<3>,4|C<4>}	112.5245	0.827	2	112.5245	0.683	2	112.5245	0.683	2	112.5245	0.683	2	112.5245	0.683	2	112.5245	0.683	2
474	486	622	6:SP3_SP3_SP3	C[5,6]	C[3,5,6]	O[6]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[5,6]-4:C[6,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3])	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	108.0168	1.614	8	108.0499	2.288	9	108.1826	2.210	10	108.1826	2.210	10	108.6518	3.009	12	108.6518	3.009	12
474	486	622	6:SP3_SP3_SP3	C[5,6]	C[3,5,6]	O[6]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[5,6]-4:C[6,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3])	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,3|C<4>,3|H<1>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|Br<1>,1|O<2>,3|H<1>,6|C<4>}	108.3150	0.000	1	108.0499	2.288	9	108.1826	2.210	10	108.1826	2.210	10	108.6518	3.009	12	108.6518	3.009	12
474	486	622	6:SP3_SP3_SP3	C[5,6]	C[3,5,6]	O[6]	4:4:2:1:	4:4:4:2:	4:4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[5,6]-4:C[6,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HO)(O[6]C[6,6])(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3])	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H)	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HO)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3]){2|H<1>,2|O<2>,3|C<4>}	O[6](C[5,6]C[3,5,6]C[5]H)(C[6,6]C[6,6]C[6]H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	109.3770	0.000	1	109.3770	0.000	1	108.1826	2.210	10	108.1826	2.210	10	108.6518	3.009	12	108.6518	3.009	12
474	486	622	6:SP3_SP3_SP3	C[5,6]	C[3,5,6]	O[6]	4:4:2:4:	4:4:4:2:	4:4:	C[3,5,6]-4:C[5]-4:O[6]-2:C-4:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[5,6]-4:C[6]-4:	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HO)(O[6]C[6])(CH3)	C[3,5,6](C[3,5]C[5]O[3]H)(C[5,6]C[5]O[6]C)(C[6]O[6]HH)(O[3]C[3,5])	O[6](C[5,6]C[3,5,6]C[5]C)(C[6]O[6]CC)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HO)(O[6]C[6])(CH3){1|O<2>,2|C<4>,5|H<1>}	C[3,5,6](C[3,5]C[5]O[3]H)(C[5,6]C[5]O[6]C)(C[6]O[6]HH)(O[3]C[3,5]){1|C<4>,1|O<2>,3|H<1>}	O[6](C[5,6]C[3,5,6]C[5]C)(C[6]O[6]CC){1|H<1>,2|O<2>,3|C<4>}	110.9980	0.042	2	110.9980	0.002	2	110.9980	0.002	2	110.9980	0.002	2	108.6518	3.009	12	108.6518	3.009	12
474	486	643	0:SP3_SP2_SP3	C[5,5,6]	C[3,3x5,6]	C[6a]	4:3:2:3:	4:4:4:4:	4:3:3:	C[3,3x5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[3,3x5,6]-4:C[3,5,5,6]-4:C[3,5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,3x5,6](C[3,3x5,6]C[3,5,5,6]2C[5,5,6])(C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)2(C[5,5,6]C[5,6,6a]O[5,5]C[6a])	C[6a](C[5,5,6]C[3,3x5,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|C<4>,5|C<3>,5|H<1>}	C[3,3x5,6](C[3,3x5,6]C[3,5,5,6]2C[5,5,6])(C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)2(C[5,5,6]C[5,6,6a]O[5,5]C[6a]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,5,6]C[3,3x5,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	118.5655	1.098	2	118.5655	1.206	2	118.5655	1.206	2	118.5655	1.206	2	118.5655	1.206	2	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[6a]	3:4:2:3:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:Cl-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HO)(Cl)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HO)(Cl){5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	118.9270	0.000	1	118.9270	0.000	1	119.0065	0.013	2	118.5058	0.701	5	117.4660	1.524	11	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[6a]	3:4:2:3:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:Cl-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(Cl)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|S<2>,5|C<3>,5|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(Cl){5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	119.0860	0.000	1	119.0860	0.000	1	119.0065	0.013	2	118.5058	0.701	5	117.4660	1.524	11	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[6a]	3:4:2:3:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]C)(C[3]C[3,5,6]HS)(H)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|S<4>,4|H<1>,5|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]C)(C[3]C[3,5,6]HS)(H){5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	118.5690	0.000	1	118.5690	0.000	1	118.1720	0.978	3	118.5058	0.701	5	117.4660	1.524	11	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[6a]	3:4:2:3:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HO)(H)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HO)(H){5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	117.0460	0.000	1	117.0460	0.000	1	118.1720	0.978	3	118.5058	0.701	5	117.4660	1.524	11	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[6a]	3:4:2:3:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HS)(H)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|S<2>,4|H<1>,5|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HS)(H){5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	118.9010	0.000	1	118.9010	0.000	1	118.1720	0.978	3	118.5058	0.701	5	117.4660	1.524	11	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[6a]	3:4:2:3:	4:4:4:4:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(CCHH)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|S<4>,5|C<3>,5|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(CCHH){5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	117.4660	1.524	11	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[6a]	4:4:4:3:	4:4:2:4:	4:3:3:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:C-4:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[3,5,6]C[5,5,6]O[3]C)(O[3]C[3,5,6])(CH3)	C[6a](C[5,5,6]C[3,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){1|C<4>,2|C<3>,5|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[3,5,6]C[5,5,6]O[3]C)(O[3]C[3,5,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5,5,6]C[3,5,6]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,4|C<4>,6|H<1>}	116.3150	0.153	5	116.3150	0.023	5	116.3150	0.023	5	116.3150	0.023	5	117.4660	1.524	11	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[6a]	4:4:3:3:	4:4:4:1:	4:3:3:	C[3x5,6]-4:C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[3x5,6]C[5,5,6]O[5,5]O[6])(C[3,5,5]C[3,5,5]2H)(C[6a]C[6a]2)2	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5,6]C[6a])(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5,6]C[6a]2)(H)	C[6a](C[5,5]C[3,5,5]C[3x5,6]C[6a])(C[6a]C[6a]H)2	C[5,5](C[3x5,6]C[5,5,6]O[5,5]O[6])(C[3,5,5]C[3,5,5]2H)(C[6a]C[6a]2)2{2|C<4>,5|C<3>,6|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5,6]C[6a])(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5,6]C[6a]2)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5,5]C[3,5,5]C[3x5,6]C[6a])(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|C<4>,3|H<1>}	112.5125	0.506	4	112.5125	0.256	4	112.5125	0.256	4	112.5125	0.256	4	112.5125	0.256	4	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[6a]	4:4:3:2:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[3]-4:C[3]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[3,5](C[5,5]C[5,5]C[6a]O[5])(C[3]C[3]HH)2(C[5]N[5]O)	C[6a](C[5,5]C[3,5]C[5,5]O[5])(C[6a]C[6a]H)2	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,3|C<3>,8|H<1>}	C[3,5](C[5,5]C[5,5]C[6a]O[5])(C[3]C[3]HH)2(C[5]N[5]O){1|H<1>,5|C<3>}	C[6a](C[5,5]C[3,5]C[5,5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	115.6700	0.000	1	115.6700	0.000	1	115.6700	0.000	1	115.6700	0.000	1	115.6700	0.000	1	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[6,6a]	4:4:3:2:	4:4:3:2:	4:3:3:	C[3,5,6]-4:C[5,5,6]-4:C[6,6a]-3:O-2:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OH)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6,6a](C[5,6]C[3,5,6]C[5,5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,1|O<2>,7|C<3>}	C[6,6a](C[5,6]C[3,5,6]C[5,5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	104.5230	0.000	1	104.5230	0.000	1	104.5230	0.000	1	104.5230	0.000	1	104.5230	0.000	1	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[6a]	4:3:3:3:	4:4:4:1:	4:3:3:	C[3,5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[3,5]-4:C[3,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	C[3,5,6](C[5,6]C[6a]C[6]N[5])(C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(H)	C[6a](C[5,6]C[3,5,6]C[6]N[5])(C[6a]C[6a]H)2	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){4|C<3>,6|H<1>}	C[3,5,6](C[5,6]C[6a]C[6]N[5])(C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(H){1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5,6]C[3,5,6]C[6]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|C<4>,4|H<1>}	110.5930	0.000	1	110.5930	0.000	1	110.5930	0.000	1	110.5930	0.000	1	113.0110	5.405	3	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,3x6]-4:C[3,5,6]-4:C[6a]-3:H-1:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,3x6]C[5a,6,6]C[5,6,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6a]C[6a]2)(H)	C[3,5,6](C[3,6,6]C[5a,6,6]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6,6]H)(C[5,6]C[5,3x6]C[6a]H)(H)	C[6a](C[5,6]C[3,5,6]C[5,3x6]H)(C[6a]C[6a]H)2	C[5,6](C[5,3x6]C[5a,6,6]C[5,6,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[3,5,6](C[3,6,6]C[5a,6,6]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6,6]H)(C[5,6]C[5,3x6]C[6a]H)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5,6]C[3,5,6]C[5,3x6]H)(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	115.2300	0.000	1	115.2300	0.000	1	115.2300	0.000	1	115.2300	0.000	1	113.0110	5.405	3	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[6a]	4:4:3:1:	4:4:4:4:	4:3:3:	C[3,5,6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]C)(C[6a]C[6a]2)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[6a]H)(CH3)	C[6a](C[5,6]C[3,5,6]C[5,6,6]H)(C[6a]C[6a]H)2	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]C)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[6a]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5,6]C[3,5,6]C[5,6,6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,5|C<4>}	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	113.0110	5.405	3	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5,6]	C[3,5]	C[6,6a]	3:4:3:1:	4:4:4:3:	4:3:3:	C[6,6a]-3:C[3,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[3]-4:C[3,5]-4:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H)	C[3,5](C[5,6]C[6,6a]N[5,6]H)(C[3]C[3,5]C[5,6]C)(C[3,5]C[3]O[5]C)(COO)	C[6,6a](C[5,6]C[3,5]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H){1|N<3>,2|H<1>,6|C<3>}	C[3,5](C[5,6]C[6,6a]N[5,6]H)(C[3]C[3,5]C[5,6]C)(C[3,5]C[3]O[5]C)(COO){2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[3,5]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	116.7120	0.000	1	116.7120	0.000	1	116.7120	0.000	1	116.7120	0.000	1	116.7120	0.000	1	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	3:3:4:2:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH){1|Si<4>,4|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	111.1510	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	3:3:4:2:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH){1|Si<4>,1|O<2>,3|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(CH3){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[3,5]O)(C[6a]C[6a]O){2|H<1>,3|C<4>,5|C<3>}	111.4070	0.000	1	111.4070	0.000	1	111.4070	0.000	1	111.4070	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	3:4:2:1:	4:4:2:1:	3:4:3:	C[6a]-3:C[3,5]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5]C[3,5]O[5]H)(C[6a]C[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H){2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5]C[3,5]O[5]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	116.6220	2.625	2	116.6220	6.889	2	116.6220	6.889	2	116.6220	6.889	2	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	3:4:3:1:	4:4:4:2:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]H)(C[3]C[3,5]CC)(CN)	C[6a](C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H){1|C<2>,3|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]H)(C[3]C[3,5]CC)(CN){4|C<3>}	C[6a](C[5]C[5,6a]C[3,5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	3:4:4:4:	4:4:4:1:	3:4:3:	C[6a]-3:C[3,5]-4:C[5]-4:C-4:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6a]C[5a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]C[5]C)(C[3]C[3,5]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[3,5]C[5]C)(C[6a]C[6a]O)	C[5](C[6a]C[5a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]C[5]C)(C[3]C[3,5]HH)(H){2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[3,5]C[5]C)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	115.5090	0.000	1	115.5090	0.000	1	115.5090	0.000	1	115.5090	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:2:1:	4:3:4:4:	4:3:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C[3]-4:C[3]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[3,5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(C[3]C[3]HH)2	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H){3|C<3>,6|H<1>}	C[3,5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(C[3]C[3]HH)2{4|C<3>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	114.9990	0.000	1	114.9990	0.000	1	114.9990	0.000	1	114.9990	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:2:1:	4:4:2:1:	4:3:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.3940	0.212	2	116.3940	0.045	2	116.3940	0.045	2	116.3940	0.045	2	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[6a]-3:N[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])(H){4|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H){3|C<3>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	110.9960	0.000	1	110.9960	0.000	1	110.9960	0.000	1	113.5380	2.515	6	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:Br-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]Br)(C[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(C[3]C[3,5]HH)(Br)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]Br)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(C[3]C[3,5]HH)(Br){1|O<1>,2|C<3>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	115.1570	0.000	1	115.1570	0.000	1	115.1570	0.000	1	113.5380	2.515	6	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]O[5]H)(C[3]C[3,5]CH)(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]O[5]H)(C[3]C[3,5]CH)(H){1|C<4>,3|C<3>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	114.3880	0.000	1	114.3880	0.000	1	114.3880	0.000	1	113.5380	2.515	6	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(H){1|O<1>,4|C<3>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.8220	0.000	1	113.5623	1.383	3	113.5623	1.383	3	113.5380	2.515	6	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(H){1|O<1>,4|C<3>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	112.9325	0.622	2	113.5623	1.383	3	113.5623	1.383	3	113.5380	2.515	6	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:2:2:	4:4:3:2:	4:3:3:	C[3,5]-4:C[6a]-3:O[5]-2:O-2:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5])	C[6a](C[5]C[3,5]O[5]O)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[3,5]O[5]O)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.0310	0.000	1	114.0310	0.000	1	114.0310	0.000	1	114.0310	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[3,5]-3:C[3]-4:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	115.1560	0.000	1	115.1560	0.000	1	114.4240	1.072	2	114.4240	1.072	2	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:3:1:	4:3:4:3:	4:3:3:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[3,5]-3:C[3]-4:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|H<1>,7|C<3>}	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	113.6920	0.000	1	113.6920	0.000	1	114.4240	1.072	2	114.4240	1.072	2	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:3:1:	4:4:2:1:	4:3:3:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]N[5]H)(O[3]C[3,5])(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]N[5]H)(O[3]C[3,5])(H){2|H<1>,3|C<3>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	113.6090	0.000	1	113.6090	0.000	1	113.6090	0.000	1	112.3673	1.420	3	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,5|C<3>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	111.7465	0.726	2	111.7465	0.527	2	111.7465	0.527	2	112.3673	1.420	3	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(COO)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|C<3>,7|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(COO){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	114.5130	0.000	1	114.5130	0.000	1	114.5130	0.000	1	114.7180	0.084	2	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	114.9230	0.000	1	114.9230	0.000	1	114.9230	0.000	1	114.7180	0.084	2	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:3:1:	4:4:4:4:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(CC3)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]O)(H){3|C<3>,6|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(CC3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	119.2230	0.000	1	119.2230	0.000	1	119.2230	0.000	1	118.2675	1.826	2	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:3:1:	4:4:4:4:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C[3]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[3,5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]H)(C[3]C[3]HH)2	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[3,5]C[3,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]H)(C[3]C[3]HH)2{1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	117.3120	0.000	1	117.3120	0.000	1	117.3120	0.000	1	118.2675	1.826	2	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:3:2:	3:4:4:4:	4:3:3:	C[3,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	N[5,6a]-3:C[5]-4:C[3]-4:C[3]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]N[5,6a]C[3]2)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[3,5](N[5,6a]C[5,6a]N[6a])(C[5]C[6a]2O[5])(C[3]C[3]HH)2	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[3,5]N[5,6a]C[3]2)(C[6a]C[6a]2)2(O[5]C[5,6a]){1|N<2>,5|C<3>,8|H<1>}	C[3,5](N[5,6a]C[5,6a]N[6a])(C[5]C[6a]2O[5])(C[3]C[3]HH)2{6|C<3>}	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	113.1860	1.452	2	113.1860	2.109	2	113.1860	2.109	2	113.1860	2.109	2	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:3:2:	4:4:4:3:	4:3:3:	C[3,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[3]-4:C[3]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)2(O[5]C[5])	C[3,5](C[5]C[6a]2O[5])(C[3]C[3]HH)2(C[5]C[5]C)	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,5|C<3>,8|H<1>}	C[3,5](C[5]C[6a]2O[5])(C[3]C[3]HH)2(C[5]C[5]C){1|C<4>,4|C<3>}	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	114.5610	0.571	2	114.5610	0.326	2	114.5610	0.326	2	114.5610	0.326	2	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:3:2:	4:4:4:4:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-3:O-2:	C[4,5]-4:C[5]-4:C[3]-4:C[3]-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[3,5](C[4,5]C[4]2O[5])(C[5]C[6a]C[5]O)(C[3]C[3]HH)2	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[3,5](C[4,5]C[4]2O[5])(C[5]C[6a]C[5]O)(C[3]C[3]HH)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	114.1700	0.000	1	114.1700	0.000	1	114.1700	0.000	1	114.1700	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:3:3:	4:4:3:2:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:C-3:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO)	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5])	C[6a](C[5]C[5,6a]C[3,5]C)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5]){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[3,5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	111.3240	0.000	1	111.3240	0.000	1	111.3240	0.000	1	111.3240	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:4:1:	4:4:4:1:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[3,5](C[3,5]C[3]O[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(H)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]O[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(H){1|H<1>,3|C<3>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.2810	0.000	1	118.2810	0.000	1	118.2810	0.000	1	118.2810	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:4:1:	4:4:4:2:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(OC)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H){3|C<3>,6|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(OC){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]N)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(NOO)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]N)(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<3>,7|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(NOO){2|H<1>,4|C<3>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	112.6270	0.000	1	112.6270	0.000	1	112.6270	0.000	1	115.2025	13.266	2	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[3]-4:C[5]-4:N[3]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	117.7780	0.000	1	117.7780	0.000	1	117.7780	0.000	1	115.2025	13.266	2	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:4:1:	4:4:4:4:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[3,5](C[3,5]C[3]N[5]C)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(CH3)	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[3,5](C[3,5]C[3]N[5]C)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[3,5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,3|C<4>,4|H<1>}	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:4:2:	4:4:4:2:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:O-2:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3])	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)2	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|C<4>,3|C<3>,4|H<1>}	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3]){2|H<1>,4|C<3>}	C[6a](C[5]C[3,5]C[5]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	116.5990	0.000	1	116.5990	0.000	1	116.5990	0.000	1	116.5990	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:4:3:	4:4:2:1:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:C-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]C[5]C)(O[3]C[3,5])(H)	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]C[5]C)(O[3]C[3,5])(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	112.7110	0.000	1	112.7110	0.000	1	112.7110	0.000	1	112.7110	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:3:4:4:	4:4:4:4:	4:3:3:	C[3,5]-4:C[6a]-3:C[5]-4:C-4:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]C[5]C)(C[3]C[3,5]HH)(CH3)	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,6|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]C[5]C)(C[3]C[3,5]HH)(CH3){2|C<3>,4|H<1>}	C[6a](C[5]C[3,5]C[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,3|H<1>,4|C<4>}	113.7350	0.000	1	113.7350	0.000	1	113.7350	0.000	1	113.7350	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:4:3:1:	4:4:2:1:	4:3:3:	C[3,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]C[6a]H)(O[3]C[3,5])(H)	C[6a](C[5]C[3,5]C[5,6]H)(C[6a]C[6a]H)(C[6a]O[6a]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]C[6a]H)(O[3]C[3,5])(H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5]C[3,5]C[5,6]H)(C[6a]C[6a]H)(C[6a]O[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	114.8450	0.000	1	114.8450	0.000	1	114.8450	0.000	1	114.8450	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:4:3:1:	4:4:2:4:	4:3:3:	C[3,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[3,5]-4:O[3]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[3,5](C[5]C[5,5]C[6a]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CH3)	C[6a](C[5]C[3,5]C[5,5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){2|C<3>,4|C<4>,6|H<1>}	C[3,5](C[5]C[5,5]C[6a]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[3,5]C[5,5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|O<2>,4|C<4>}	115.0220	0.000	1	115.0220	0.000	1	115.0220	0.000	1	115.0220	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6a]	4:4:3:1:	4:4:4:3:	4:3:3:	C[3,5]-4:P[5]-4:C[6a]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[3,5]C[3,5,5]C[3,5]C)(P[5]C[5,5]OW)(C[6a]C[6a]2)(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[6a]P[5]H)(COO)	C[6a](C[5]C[3,5]P[5]H)(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5,5]C[3,5]C)(P[5]C[5,5]OW)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[6a]P[5]H)(COO){1|O<2>,1|W<6>,2|C<4>,3|C<3>}	C[6a](C[5]C[3,5]P[5]H)(C[6a]C[6a]H)2{1|O<2>,1|W<6>,2|C<3>,2|H<1>,3|C<4>}	120.2270	0.000	1	120.2270	0.000	1	120.2270	0.000	1	120.2270	0.000	1	114.5289	5.497	43	114.8073	7.825	67
474	486	643	0:SP3_SP2_SP3	C[5]	C[3]	C[6a]	3:3:3:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C[3]-4:	C[5]-4:C[3]-4:C[3]-4:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C)	C[3](C[5]C[5,6a]N[5,5a]C[6a])(C[3]C[3]HH)2(CF3)	C[6a](C[5]C[5,6a]N[5,5a]C[3])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C){1|N<2>,5|C<3>,7|H<1>}	C[3](C[5]C[5,6a]N[5,5a]C[6a])(C[3]C[3]HH)2(CF3){1|N<2>,5|C<3>}	C[6a](C[5]C[5,6a]N[5,5a]C[3])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<4>,4|C<3>}	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	114.8073	7.825	67
474	486	727	0:SP3_SP2_SP3	C[5,5,6]	C[3,6]	C[5,6a]	3:4:4:4:	4:4:2:1:	4:3:3:	C[5,6a]-3:C[3,6]-4:C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH)	C[3,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[5,6a](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,5,6]C[6]N[5]2)(C[5]C[5]HH){1|C<4>,4|C<3>,6|H<1>}	C[3,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3x5]-4:C[3,5,5]-4:C[5a]-3:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(C[5a]C[5a,6a]C[5a])(H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5]C[5a]H)(H)	C[5a](C[5,5]C[3,5,5]C[3x5]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(C[5a]C[5a,6a]C[5a])(H){1|N<3>,2|C<3>,5|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5]C[5a]H)(H){2|C<3>,3|H<1>}	C[5a](C[5,5]C[3,5,5]C[3x5]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	114.7230	0.000	1	114.7230	0.000	1	114.7230	0.000	1	114.7230	0.000	1	114.7230	0.000	1	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5,6a]	3:4:3:3:	4:3:4:4:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:N[3,5]-3:C[3]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H)	C[3,5](C[5,5]C[5,6a]C[5]N[5])(N[3,5]C[3]C[5])(C[3]N[3,5]CH)(CH3)	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H){4|C<3>,4|H<1>}	C[3,5](C[5,5]C[5,6a]C[5]N[5])(N[3,5]C[3]C[5])(C[3]N[3,5]CH)(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	117.2850	0.000	1	117.2850	0.000	1	117.2850	0.000	1	117.2850	0.000	1	114.0561	5.257	13	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5,6a]	3:4:3:3:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O)	C[3,5](C[5,5]C[5,6a]C[5]2)(C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(CH3)	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O){1|S<4>,3|C<3>,4|H<1>}	C[3,5](C[5,5]C[5,6a]C[5]2)(C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	115.4260	0.000	1	115.4260	0.000	1	115.4260	0.000	1	115.4260	0.000	1	114.0561	5.257	13	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5,6a]	3:4:4:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:C[3,5]-4:C[3]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]C[5]HO)	C[3,5](C[5,5]C[5,6a]C[5]2)(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(H)	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]C[5]HO){1|C<4>,2|C<3>,7|H<1>}	C[3,5](C[5,5]C[5,6a]C[5]2)(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	112.0010	0.000	1	112.0010	0.000	1	112.0010	0.000	1	112.0010	0.000	1	114.0561	5.257	13	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5,6a]	4:3:3:2:	4:4:4:3:	4:3:2:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:N[5]-2:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5]C[5])	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5]C[5]){1|N<2>,2|H<1>,8|C<3>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|N<2>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,6|C<3>}	112.2085	1.129	2	112.2085	1.275	2	112.2085	1.275	2	112.2085	1.275	2	114.0561	5.257	13	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5,6a]	4:3:3:2:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:N[5]-2:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5]C[5])	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5]C[5]){1|N<2>,2|H<1>,8|C<3>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5,5]C[5,6a]2N[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){10|C<3>,1|N<2>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<2>,3|C<3>}	115.0575	0.578	2	115.0575	0.334	2	115.0575	0.334	2	115.0575	0.334	2	114.0561	5.257	13	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5,6a]	4:3:3:3:	4:4:4:3:	4:3:2:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]C[5,6a]2N[5,5])(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,2|C<4>,5|H<1>,7|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]C[5,6a]2N[5,5])(C[3]C[3,5]CH)(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){4|C<4>,5|C<3>}	109.3300	0.000	1	109.3300	0.000	1	109.3300	0.000	1	109.3300	0.000	1	114.0561	5.257	13	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5,6a]	4:3:3:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]C[5,6a]2N[5,5])(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,2|C<4>,5|H<1>,7|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]C[5,6a]2N[5,5])(C[3]C[3,5]CH)(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>,4|C<4>}	113.5260	0.000	1	113.5260	0.000	1	113.5260	0.000	1	114.6807	4.448	3	114.0561	5.257	13	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5,6a]	4:3:3:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){2|C<4>,6|C<3>,6|H<1>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]CH)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	117.1150	0.000	1	117.1150	0.000	1	115.2580	6.897	2	114.6807	4.448	3	114.0561	5.257	13	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5,6a]	4:3:3:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|H<1>,6|C<3>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,8|C<3>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	113.4010	0.000	1	113.4010	0.000	1	115.2580	6.897	2	114.6807	4.448	3	114.0561	5.257	13	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5,6a]	4:3:3:4:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO)	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO){3|C<4>,5|H<1>,6|C<3>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	115.9800	0.000	1	115.9800	0.000	1	115.9800	0.000	1	115.9800	0.000	1	114.0561	5.257	13	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5,6a]	4:3:4:3:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:N[5]-4:C[5]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O)	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,5|H<1>,8|C<3>}	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	114.1330	0.000	1	114.1330	0.000	1	114.1330	0.000	1	114.1330	0.000	1	114.0561	5.257	13	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[5a]	4:4:3:1:	4:4:4:3:	4:2:2:	C[3,5,6]-4:C[5,6,6]-4:C[5a]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-3:	C[5,6]-4:N[5a]-2:S[5a]-2:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[5a]N[5a]S[5a])(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[5a]H)(CC[6a]O)	C[5a](C[5,6]C[3,5,6]C[5,6,6]H)(N[5a]C[5a])(S[5a]C[5a])	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[5a]N[5a]S[5a])(H){3|H<1>,4|C<3>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[5a]H)(CC[6a]O){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5,6]C[3,5,6]C[5,6,6]H)(N[5a]C[5a])(S[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	117.7170	0.000	1	117.7170	0.000	1	117.7170	0.000	1	117.7170	0.000	1	117.7170	0.000	1	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5]	C[3,5,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[3,5,6]-4:C[5a]-3:O[5]-2:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	C[5a](C[5]C[3,5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5]C[3,5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	118.0650	0.000	1	117.4320	0.301	3	117.4320	0.301	3	117.4320	0.301	3	117.4320	0.301	3	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5]	C[3,5,6]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:3:	C[3,5,6]-4:C[5a]-3:O[5]-2:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	C[5a](C[5]C[3,5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5]C[3,5,6]O[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	117.1155	0.032	2	117.4320	0.301	3	117.4320	0.301	3	117.4320	0.301	3	117.4320	0.301	3	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5]	C[3,5]	C[5a]	4:3:2:1:	4:4:4:4:	4:3:2:	C[3,5]-4:C[5a]-3:S[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[3,5]C[3,5]C[3]C)(C[5a]C[5a]O[5a])(S[5]C[5])(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[5a]S[5]H)(C[3]C[3,5]HN)(CHHO)	C[5a](C[5]C[3,5]S[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[3,5]C[3,5]C[3]C)(C[5a]C[5a]O[5a])(S[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[5a]S[5]H)(C[3]C[3,5]HN)(CHHO){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5]C[3,5]S[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,4|C<4>}	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5]	C[3]	C[5,6a]	3:3:3:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C[3]-4:	C[5]-4:C[3]-4:C[3]-4:C-4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C)	C[3](C[5]C[5,6a]N[5,5a]C[6a])(C[3]C[3]HH)2(CF3)	C[5,6a](C[5]N[5,5a]C[6a]C[3])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C){1|N<2>,5|C<3>,7|H<1>}	C[3](C[5]C[5,6a]N[5,5a]C[6a])(C[3]C[3]HH)2(CF3){1|N<2>,5|C<3>}	C[5,6a](C[5]N[5,5a]C[6a]C[3])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	112.6660	0.000	1	112.6660	0.000	1	112.6660	0.000	1	112.6660	0.000	1	113.3654	8.483	5	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5]	C[3]	C[5,6a]	3:3:4:1:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[3]-4:H-1:	C[5]-4:C[3]-4:C[3]-4:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[3]C[3]2N)(H)	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(NCS)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[3]C[3]2N)(H){5|C<3>,5|H<1>}	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(NCS){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	112.3730	0.000	1	112.3730	0.000	1	112.3730	0.000	1	112.3730	0.000	1	113.3654	8.483	5	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5]	C[3]	C[5,6a]	3:3:4:3:	4:4:4:1:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[3]-4:C-3:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[3]C[3]2H)(CCH)	C[3](C[5]C[5,6a]N[5,6]C)(C[3]C[3]HH)2(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]C[3]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[3]C[3]2H)(CCH){4|C<3>,6|H<1>}	C[3](C[5]C[5,6a]N[5,6]C)(C[3]C[3]HH)2(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]C[3]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	113.3654	8.483	5	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5]	C[3]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[3]-4:C[5]-3:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2H)(C[5]C[5]H)(H)	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2H)(C[5]C[5]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	113.4960	0.000	1	113.4960	0.000	1	113.4960	0.000	1	113.4960	0.000	1	113.3654	8.483	5	114.1892	7.445	25
474	486	727	0:SP3_SP2_SP3	C[5]	C[3]	C[5,6a]	3:4:3:1:	4:4:4:3:	3:4:3:	C[5,6a]-3:C[3]-4:C[5]-3:H-1:	C[5]-4:C[3]-4:C[3]-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2C)(C[5]N[5]O)(H)	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3]C[5]H)(C[6a]C[6a]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2C)(C[5]N[5]O)(H){1|Cl<1>,2|C<3>,4|H<1>}	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(CCO){1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3]C[5]H)(C[6a]C[6a]Cl){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	118.0970	0.000	1	118.0970	0.000	1	118.0970	0.000	1	118.0970	0.000	1	113.3654	8.483	5	114.1892	7.445	25
474	486	727	5:SP3_SP2_SP3	C[3x5]	C[3,3x5]	C[5,6a]	4:3:3:4:	4:4:4:3:	4:3:3:	C[3,3x5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[3,5]-4:C[3,5]-4:C[3x5]-4:C[5]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[3,3x5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]O[5]CH)	C[3,3x5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[3x5]C[5,6a]2C[5])(C[5]O[5]O)	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[3x5](C[3,3x5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]O[5]CH){1|O<1>,3|H<1>,5|C<3>}	C[3,3x5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[3x5]C[5,6a]2C[5])(C[5]O[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	103.4070	0.000	1	103.2200	0.070	2	103.2200	0.070	2	103.2200	0.070	2	103.2200	0.070	2	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[3x5]	C[3,3x5]	C[5,6a]	4:3:3:4:	4:4:4:3:	4:3:3:	C[3,3x5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[3,5]-4:C[3,5]-4:C[3x5]-4:C[5]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[3,3x5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]O[5]CH)	C[3,3x5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[3x5]C[5,6a]2C[5])(C[5]O[5]O)	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[3x5](C[3,3x5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]O[5]CH){1|O<1>,3|H<1>,5|C<3>}	C[3,3x5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[3x5]C[5,6a]2C[5])(C[5]O[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	103.0330	0.000	1	103.2200	0.070	2	103.2200	0.070	2	103.2200	0.070	2	103.2200	0.070	2	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:1:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(CNO)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(CNO){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	103.9640	0.000	1	103.5505	0.342	2	103.2148	0.282	6	103.4579	0.459	8	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:1:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(CNO)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(CNO){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	103.1370	0.000	1	103.5505	0.342	2	103.2148	0.282	6	103.4579	0.459	8	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:1:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COO)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COO){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	102.8090	0.000	1	102.9735	0.054	2	103.2148	0.282	6	103.4579	0.459	8	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:1:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COO)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COO){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	103.1380	0.000	1	102.9735	0.054	2	103.2148	0.282	6	103.4579	0.459	8	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:1:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COS)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COS){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	103.6930	0.000	1	103.1205	0.656	2	103.2148	0.282	6	103.4579	0.459	8	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:1:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COS)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COS){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	102.5480	0.000	1	103.1205	0.656	2	103.2148	0.282	6	103.4579	0.459	8	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:1:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:P-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2P)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[5,6a]C[3,5]P)(C[5,5]C[5,6a]2H)(PC[6a]2)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2P)(H){1|P<3>,3|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[5,6a]C[3,5]P)(C[5,5]C[5,6a]2H)(PC[6a]2){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<3>,3|C<3>,3|H<1>}	103.7490	0.000	1	104.1870	0.384	2	104.1870	0.384	2	103.4579	0.459	8	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:1:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:P-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2P)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[5,6a]C[3,5]P)(C[5,5]C[5,6a]2H)(PC[6a]2)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2P)(H){1|P<3>,3|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[5,6a]C[3,5]P)(C[5,5]C[5,6a]2H)(PC[6a]2){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|P<3>,3|C<3>}	104.6250	0.000	1	104.1870	0.384	2	104.1870	0.384	2	103.4579	0.459	8	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHO){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	104.2580	0.000	1	103.2980	1.843	2	103.2980	1.843	2	103.9725	1.715	4	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHO){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	102.3380	0.000	1	103.2980	1.843	2	103.2980	1.843	2	103.9725	1.715	4	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:N-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(NOO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2N)(CC[6a]O)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(NOO){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2N)(CC[6a]O){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	105.5080	0.000	1	104.6470	1.483	2	104.6470	1.483	2	103.9725	1.715	4	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:N-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(NOO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2N)(CC[6a]O)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(NOO){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2N)(CC[6a]O){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	103.7860	0.000	1	104.6470	1.483	2	104.6470	1.483	2	103.9725	1.715	4	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:4:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-4:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHHO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHHO){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	102.6910	0.000	1	102.7500	0.007	2	102.7500	0.007	2	102.7500	0.007	2	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:4:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-4:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHHO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHHO){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	102.8090	0.000	1	102.7500	0.007	2	102.7500	0.007	2	102.7500	0.007	2	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:3:4:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-4:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CCHH)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)2(C[5,5]C[5,6a]2C)(CCHH)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)2(C[5,5]C[5,6a]2C)(CCHH){4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	102.7260	0.269	2	102.7260	0.072	2	102.7260	0.072	2	102.7260	0.072	2	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:4:3:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2H)(C[5]C[5]C)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5]H)(C[3,5]C[3,5]C[5]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,5]C[3,5,5]C[5]H)(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2H)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5]H)(C[3,5]C[3,5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,5]C[3,5,5]C[5]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	103.9620	0.000	1	103.9620	0.000	1	103.9620	0.000	1	103.9620	0.000	1	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:4:3:1:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[3,5,5]-4:C[5,6]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5,6]C[5,6]C[6])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5,6]H)(C[3,5]C[3,5]C[5,6]H)(COS)	C[5,6a](C[5,5]C[3,5,5]C[5,6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5,6]C[5,6]C[6])(H){2|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5,6]H)(C[3,5]C[3,5]C[5,6]H)(COS){1|C<2>,3|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	104.2950	0.000	1	104.2950	0.000	1	104.2950	0.000	1	104.2950	0.000	1	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:4:3:2:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:O-2:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(OC)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]O)(C[3,5]C[3,5]C[5]C)(COO)	C[5,6a](C[5,5]C[3,5,5]C[5]O)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(OC){3|C<3>,3|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]O)(C[3,5]C[3,5]C[5]C)(COO){2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[3,5,5]C[5]O)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	102.6940	0.000	1	102.6940	0.000	1	102.6940	0.000	1	102.6940	0.000	1	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	3:4:3:3:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:C-3:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(COO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]C)(C[3,5]C[3,5]C[5]H)(CC[6a]O)	C[5,6a](C[5,5]C[3,5,5]C[5]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(COO){2|C<3>,4|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]C)(C[3,5]C[3,5]C[5]H)(CC[6a]O){2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[3,5,5]C[5]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	102.7960	0.000	1	102.7960	0.000	1	102.7960	0.000	1	102.7960	0.000	1	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[3,5,5]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])2(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])2(H){3|H<1>,7|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	104.3750	0.000	1	104.1840	0.073	2	104.1840	0.073	2	104.1840	0.073	2	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[3,5,5]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])2(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])2(H){3|H<1>,7|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	103.9930	0.000	1	104.1840	0.073	2	104.1840	0.073	2	104.1840	0.073	2	103.4827	0.698	22	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5,6a]	3:4:3:2:	4:4:2:2:	4:3:3:	C[5,6a]-3:C[3,5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[3]-4:O[5]-2:O[3]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]O[3]O[5])(N[5]C[5]O)(O[5]C[5])	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3])	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]O[3]O[5])(N[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3]){1|C<4>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	101.3760	0.648	2	101.3760	0.420	2	101.3760	0.420	2	101.3760	0.420	2	101.8450	0.870	3	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5,6a]	3:4:3:2:	4:4:2:4:	4:3:3:	C[5,6a]-3:C[3,5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O[5]C[5])	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3)	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	102.7830	0.000	1	102.7830	0.000	1	102.7830	0.000	1	102.7830	0.000	1	101.8450	0.870	3	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:4:3:2:	4:3:4:2:	3:3:4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[5,6,6a]-3:O-2:	C[5,6,6]-4:C[5,6,6a]-3:C[3,3x6]-4:O[3]-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,5,6,6]C[5,6,6a]C[3,3x6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(OC)	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[3,5,6,6]2O)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,5,6,6]C[5,6,6a]C[3,3x6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(OC){2|C<4>,6|C<3>}	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6]){1|N<4>,2|C<4>,3|O<2>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[3,5,6,6]2O){2|C<4>,2|O<2>,6|C<3>}	102.0600	0.000	1	102.0600	0.000	1	102.0600	0.000	1	102.0600	0.000	1	102.0600	0.000	1	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[5,6a]	4:3:3:1:	4:4:4:3:	4:3:3:	C[3,5,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H)	C[5,6a](C[5,6]C[3,5,6]N[6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){4|C<3>,6|H<1>}	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[3,5,6]N[6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	103.9880	0.000	1	103.9880	0.000	1	103.9880	0.000	1	103.9880	0.000	1	103.9880	0.000	1	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	3:3:4:2:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH){1|Si<4>,4|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(H){4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	102.6660	0.000	1	102.6660	0.000	1	102.6660	0.000	1	102.6660	0.000	1	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	3:3:4:2:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(CH3)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH){1|Si<4>,1|O<2>,3|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(CH3){4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	103.3440	0.000	1	103.3440	0.000	1	103.3440	0.000	1	103.3440	0.000	1	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	3:4:1:1:	4:4:3:3:	3:4:3:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(H)2	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	104.1300	0.000	1	104.1300	0.000	1	104.1300	0.000	1	104.1300	0.000	1	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	3:4:1:1:	4:4:3:4:	3:4:3:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:C[3]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(H)2	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[3]C[3]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(H)2{1|C<2>,1|O<1>,3|C<3>,3|H<1>}	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[3]C[3]CH){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	103.1780	0.000	1	103.1780	0.000	1	103.1780	0.000	1	103.1780	0.000	1	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	104.5930	0.000	1	103.6250	1.694	4	103.6250	1.694	4	103.6250	1.694	4	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2{2|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H){1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	104.2280	0.000	1	103.6250	1.694	4	103.6250	1.694	4	103.6250	1.694	4	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	3:4:1:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2{2|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	102.8395	1.596	2	103.6250	1.694	4	103.6250	1.694	4	103.6250	1.694	4	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	3:4:3:1:	4:4:4:2:	3:4:3:	C[5,6a]-3:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]H)(C[3]C[3,5]CC)(CN)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H){1|C<2>,3|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]H)(C[3]C[3,5]CC)(CN){4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	102.9490	0.000	1	102.9490	0.000	1	102.9490	0.000	1	102.9490	0.000	1	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	3:4:3:1:	4:4:4:4:	3:4:3:	C[5,6a]-3:C[3,5]-4:N-3:H-1:	C[5]-4:C[5]-4:C[3]-4:C[3]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(NC[6a]H)(H)	C[3,5](C[5]C[5,6a]HN)2(C[3]C[3]HH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HN)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(NC[6a]H)(H){1|N<3>,2|C<3>,6|H<1>}	C[3,5](C[5]C[5,6a]HN)2(C[3]C[3]HH)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HN)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	101.7210	0.584	2	101.7210	0.341	2	101.7210	0.341	2	101.7210	0.341	2	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	3:4:4:1:	4:4:4:2:	3:4:3:	C[5,6a]-3:C[3,5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[3]-4:O[3]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CC3)(H)	C[3,5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(C[3]O[3]HH)(O[3]C[3])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CC3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3,5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(C[3]O[3]HH)(O[3]C[3]){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CH)(C[6a]C[6a]O){1|C<3>,2|O<2>,4|C<4>}	98.5575	0.000	1	98.5575	0.000	1	98.5575	0.000	1	98.5575	0.000	1	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	3:4:4:4:	4:4:4:1:	3:4:3:	C[5,6a]-3:C[3,5]-4:C-4:C-4:	P[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]P[3,5]C[3]H)(CH3)2	C[3,5](P[3,5]C[5,6a]C[3]Au)(C[5]C[5,6a]CC)(C[3]P[3,5]CH)(H)	C[5,6a](C[5,6a]P[3,5]C[6a])(C[5]C[3,5]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]P[3,5]C[3]H)(CH3)2{1|Au<2>,1|C<4>,2|C<3>,2|H<1>}	C[3,5](P[3,5]C[5,6a]C[3]Au)(C[5]C[5,6a]CC)(C[3]P[3,5]CH)(H){2|C<3>}	C[5,6a](C[5,6a]P[3,5]C[6a])(C[5]C[3,5]CC)(C[6a]C[6a]H){1|Au<2>,1|C<3>,1|H<1>,3|C<4>}	107.0120	0.000	1	107.0120	0.000	1	107.0120	0.000	1	107.0120	0.000	1	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	3:4:4:4:	4:4:4:2:	3:4:3:	C[5,6a]-3:C[3,5]-4:C-4:C-4:	C[5]-4:C[5]-4:C[3]-4:O[3]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CCHH)(CH3)	C[3,5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(C[3]O[3]HH)(O[3]C[3])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CC)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CCHH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(C[3]O[3]HH)(O[3]C[3]){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]CC)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	99.0338	0.000	1	99.0338	0.000	1	99.0338	0.000	1	99.0338	0.000	1	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	4:3:1:1:	3:4:4:4:	3:4:3:	C[3,5]-4:C[5,6a]-3:H-1:H-1:	N[3,5]-3:Si[3,5]-4:C[5]-4:Si-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[3,5]Si[3,5]N[3,5]Si)(C[5,6a]C[5,6a]C[6a])(H)2	C[3,5](N[3,5]C[5,6a]Si[3,5])(Si[3,5]N[3,5]C[5]2)(C[5]C[5,6a]HH)(SiC[6a]CH)	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5](C[3,5]Si[3,5]N[3,5]Si)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[3,5](N[3,5]C[5,6a]Si[3,5])(Si[3,5]N[3,5]C[5]2)(C[5]C[5,6a]HH)(SiC[6a]CH){4|Si<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){2|Si<4>,1|C<3>,1|C<4>,1|H<1>}	104.2495	0.479	2	104.2495	0.229	2	104.2495	0.229	2	104.2495	0.229	2	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[3,5]-4:C[5,6a]-3:H-1:H-1:	C[3,6]-4:C[3,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[3,5]C[5,6a]C[3,6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,4|C<3>}	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[3,5]C[5,6a]C[3,6]H)(C[5]C[5,6a]HH)(H){1|N<2>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	102.4000	2.342	2	102.4000	5.485	2	102.4000	5.485	2	102.4000	5.485	2	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	4:3:1:1:	4:4:4:3:	3:4:3:	C[3,5]-4:C[5,6a]-3:H-1:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(H)2	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]HH)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(H)2{3|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]HH)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	104.7090	0.000	1	104.7090	0.000	1	104.7090	0.000	1	104.7090	0.000	1	102.9639	4.006	20	103.1412	2.140	49
474	486	727	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6a]	4:3:3:3:	4:4:3:2:	3:4:3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:C-3:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO)	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5])	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]C)(C[6a]C[6a]H)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5]){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]C)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	102.4570	0.000	1	102.4570	0.000	1	102.4570	0.000	1	102.4570	0.000	1	102.9639	4.006	20	103.1412	2.140	49
474	486	727	6:SP3_SP2_SP3	C[3x5,6,6]	C[3,5,5,6,6]	C[5,6,6a]	4:3:4:4:	4:4:4:4:	4:3:3:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[3x5,6,6]-4:C[3,5,5,6]-4:C[3,5,5]-4:C[6]-4:	C[3x5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6,6a]HH)	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH){1|Sn<4>,4|C<3>,5|H<1>}	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6,6a]HH){1|O<2>,3|H<1>,4|C<3>}	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	107.4870	0.000	1	107.4870	0.000	1	107.3727	0.099	3	107.3727	0.099	3	107.3727	0.099	3	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[3x5,6,6]	C[3,5,5,6,6]	C[5,6,6a]	4:3:4:4:	4:4:4:4:	4:3:3:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[3x5,6,6]-4:C[3,5,5,6]-4:C[3,5,5]-4:C[6]-4:	C[3x5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH)	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6]HH)	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH){1|Sn<4>,1|C<4>,2|C<3>,7|H<1>}	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	107.6140	0.000	1	107.3155	0.178	2	107.3727	0.099	3	107.3727	0.099	3	107.3727	0.099	3	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[3x5,6,6]	C[3,5,5,6,6]	C[5,6,6a]	4:3:4:4:	4:4:4:4:	4:3:3:	C[3,5,5,6,6]-4:C[5,6,6a]-3:C[4x5]-4:C[6]-4:	C[3x5,6,6]-4:C[3,5,5,6]-4:C[3,5,5]-4:C[6]-4:	C[3x5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH)	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6]HH)	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6]HH){1|Sn<4>,3|C<3>,6|H<1>}	C[3,5,5,6,6](C[3x5,6,6]C[5,6,6a]C[4x5]C[6])(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[6]C[6]HH){1|O<2>,3|C<3>,4|H<1>}	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	107.0170	0.000	1	107.3155	0.178	2	107.3727	0.099	3	107.3727	0.099	3	107.3727	0.099	3	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[3x5,6]	C[3,5,5,6]	C[5,6,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5,5,6]-4:C[4x5]-4:C[5,6,6a]-3:H-1:	C[3,5,5,6,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H)	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[5,6,6a]C[4x5]H)(H)	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H){1|Sn<4>,1|H<1>,2|C<3>,2|C<4>}	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[5,6,6a]C[4x5]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	108.9950	0.617	2	108.8747	0.234	3	108.8747	0.234	3	108.8747	0.234	3	108.8747	0.234	3	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[3x5,6]	C[3,5,5,6]	C[5,6,6a]	4:4:3:1:	4:4:4:1:	4:3:3:	C[3,5,5,6]-4:C[4x5]-4:C[5,6,6a]-3:H-1:	C[3,5,5,6,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H)	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[5,6,6a]C[4x5]H)(H)	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H){1|Sn<4>,1|H<1>,2|C<3>,2|C<4>}	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[5,6,6a]C[4x5]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	108.6340	0.000	1	108.8747	0.234	3	108.8747	0.234	3	108.8747	0.234	3	108.8747	0.234	3	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,5,6]	C[3,3x5,6]	C[5,6,6a]	4:3:2:3:	4:4:4:4:	4:3:3:	C[3,3x5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[3,3x5,6]-4:C[3,5,5,6]-4:C[3,5,5,6]-4:C[5,5,6]-4:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,3x5,6](C[3,3x5,6]C[3,5,5,6]2C[5,5,6])(C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)2(C[5,5,6]C[5,6,6a]O[5,5]C[6a])	C[5,6,6a](C[5,5,6]C[3,3x5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|C<4>,5|C<3>,5|H<1>}	C[3,3x5,6](C[3,3x5,6]C[3,5,5,6]2C[5,5,6])(C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)2(C[5,5,6]C[5,6,6a]O[5,5]C[6a]){1|C<4>,4|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[3,3x5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	105.8835	0.053	2	105.8835	0.003	2	105.8835	0.003	2	105.8835	0.003	2	105.8835	0.003	2	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]C)(H){1|H<1>,2|C<3>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	106.1440	0.068	2	106.1440	0.005	2	106.1440	0.005	2	104.6453	3.013	4	104.6031	1.221	16	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6,6a]	3:4:2:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[3,5,6]-4:N[3]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H){1|H<1>,2|C<3>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	103.1465	0.226	2	103.1465	0.051	2	103.1465	0.051	2	104.6453	3.013	4	104.6031	1.221	16	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6,6a]	3:4:2:1:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HH)(H){1|C<4>,2|C<3>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	106.2040	0.000	1	106.2040	0.000	1	106.2040	0.000	1	106.2040	0.000	1	104.6031	1.221	16	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6,6a]	3:4:2:3:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HO)(Cl)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HO)(Cl){5|C<3>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	105.0700	0.000	1	105.0700	0.000	1	104.7175	0.249	2	104.9444	0.518	5	104.6031	1.221	16	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6,6a]	3:4:2:3:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:Cl-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(Cl)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|S<2>,5|C<3>,5|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(Cl){5|C<3>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	104.3650	0.000	1	104.3650	0.000	1	104.7175	0.249	2	104.9444	0.518	5	104.6031	1.221	16	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6,6a]	3:4:2:3:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]C)(C[3]C[3,5,6]HS)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|S<4>,4|H<1>,5|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]C)(C[3]C[3,5,6]HS)(H){5|C<3>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	104.2540	0.000	1	104.2540	0.000	1	105.0957	0.827	3	104.9444	0.518	5	104.6031	1.221	16	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6,6a]	3:4:2:3:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HO)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HO)(H){5|C<3>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	106.0600	0.000	1	106.0600	0.000	1	105.0957	0.827	3	104.9444	0.518	5	104.6031	1.221	16	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6,6a]	3:4:2:3:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HS)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|S<2>,4|H<1>,5|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]Cl)(C[3]C[3,5,6]HS)(H){5|C<3>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	104.9730	0.000	1	104.9730	0.000	1	105.0957	0.827	3	104.9444	0.518	5	104.6031	1.221	16	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6,6a]	3:4:2:3:	4:4:4:4:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(CCHH)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|S<4>,5|C<3>,5|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HS)(CCHH){5|C<3>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	103.5420	0.000	1	103.5420	0.000	1	103.5420	0.000	1	103.5420	0.000	1	104.6031	1.221	16	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6,6a]	3:4:2:4:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(CH3)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(CH3){1|O<2>,2|C<3>,4|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HH)(H){1|H<1>,2|C<3>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	104.8000	0.000	1	104.8000	0.000	1	104.8000	0.000	1	104.8000	0.000	1	104.6031	1.221	16	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(H)	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(H){2|H<1>,3|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){4|C<3>}	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	103.4580	0.000	1	103.4580	0.000	1	103.4580	0.000	1	103.4580	0.000	1	104.6031	1.221	16	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6,6a]	3:4:3:1:	4:4:4:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H)	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]CH)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H){3|C<3>,4|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]CH)(H){1|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	104.4905	0.078	2	104.4905	0.006	2	104.4905	0.006	2	104.4905	0.006	2	104.6031	1.221	16	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6,6a]	3:4:3:3:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:C-3:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(CCO)	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(CCO){2|C<3>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	103.3610	0.000	1	103.3610	0.000	1	103.3610	0.000	1	103.3610	0.000	1	104.6031	1.221	16	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:2:	4:4:3:2:	3:4:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O[3]-2:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO)	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(O[3]C[3,5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO){3|C<4>,5|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,2|O<2>,7|C<3>}	110.7975	0.100	2	110.7975	0.010	2	110.7975	0.010	2	110.7975	0.010	2	110.7190	0.400	5	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:3:3:2:	4:4:4:2:	3:4:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:O[3]-2:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO)	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO){1|O<2>,2|C<4>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6]){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|C<4>,2|O<2>,6|C<3>}	110.9650	1.018	2	110.9650	1.037	2	110.9650	1.037	2	110.9650	1.037	2	110.7190	0.400	5	106.4742	6.682	29
474	486	727	6:SP3_SP2_SP3	C[5,6,6]	C[3,5,6,6]	C[5,6,6a]	4:4:3:2:	4:4:3:2:	3:3:4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[5,6,6a]-3:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:O[3]-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,5,6,6]C[5,6,6a]C[3,3x6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(OC)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[3,5,6,6]2O)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,5,6,6]C[5,6,6a]C[3,3x6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(OC){2|C<4>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6]){1|C<4>,1|N<4>,1|O<2>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[3,5,6,6]2O){2|C<4>,2|O<2>,6|C<3>}	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	110.7190	0.400	5	106.4742	6.682	29
474	486	762	0:SP3_SP2_SP3	C[5,6,6]	C[3,5,6]	C[6]	4:4:3:3:	4:4:4:3:	4:3:1:	C[3,5,6]-4:C[5,6,6]-4:C[6]-3:C[6]-3:	C[3,5,6]-4:C[3,6,6]-4:C[5,6,6]-4:C[6a]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]H)2	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6,6]C[5,6,6]C[6]2)(C[6a]C[6a]2)	C[6](C[5,6,6]C[3,5,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[5,6,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]C)(C[5,6,6]C[5,6,6]C[6]2)(C[6a]C[6a]2){2|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6,6]C[3,5,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	108.8580	2.167	2	108.8580	4.694	2	108.8580	4.694	2	108.8580	4.694	2	108.8580	4.694	2	112.3946	16.314	15
474	486	762	0:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[6]	4:4:3:1:	4:4:4:3:	4:4:3:	C[3,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]2)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(CC[6a]O)	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	117.1360	0.000	1	117.1360	0.000	1	117.1360	0.000	1	117.1360	0.000	1	112.9760	31.323	3	112.3946	16.314	15
474	486	762	0:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[6]	4:4:3:3:	4:4:3:2:	4:3:1:	C[3,5,6]-4:C[5,5,6]-4:C[6]-3:C-3:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6a]O)(COO)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6](C[5,6]C[3,5,6]C[5,5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6a]O)(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,2|O<2>,5|C<3>}	C[6](C[5,6]C[3,5,6]C[5,5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	106.6130	0.000	1	106.6130	0.000	1	106.6130	0.000	1	106.6130	0.000	1	112.9760	31.323	3	112.3946	16.314	15
474	486	762	0:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[6]	4:4:3:4:	4:4:3:2:	4:3:1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:C-4:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3){2|H<1>,2|O<1>,4|C<3>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	112.9760	31.323	3	112.3946	16.314	15
474	486	762	0:SP3_SP2_SP3	C[5,6]	C[3,5]	C[6]	4:2:3:1:	4:4:4:2:	4:4:1:	C[3,5]-4:O[5,6]-2:C[6]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[3,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	C[6](C[5,6]C[3,5]O[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[3,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[5,6]C[3,5]O[5,6]H)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	111.2470	0.894	2	111.2470	0.799	2	111.2470	0.799	2	111.2470	0.799	2	110.4000	5.436	6	112.3946	16.314	15
474	486	762	0:SP3_SP2_SP3	C[5,6]	C[3,5]	C[6]	4:3:4:4:	4:4:2:1:	4:4:1:	C[3,5]-4:C[6]-3:C[5]-4:C[6]-4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[3,5](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6]2)(O[3]C[3,5])(H)	C[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(O)	C[5,6](C[3,5]C[3,5]O[3]H)(C[6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){4|C<4>,4|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6]2)(O[3]C[3,5])(H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]C[3,5]C[5]C[6])(C[6,6]C[6,6]C[6]C)(O){1|O<2>,5|C<4>,8|H<1>}	111.9000	0.000	1	111.9000	0.000	1	111.9000	0.000	1	111.9000	0.000	1	110.4000	5.436	6	112.3946	16.314	15
474	486	762	0:SP3_SP2_SP3	C[5,6]	C[3,5]	C[6]	4:4:3:1:	4:4:4:2:	4:4:1:	C[5,6,6]-4:C[3,5]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6](C[5,6,6]C[5,3x6]C[6,6]O)(C[3,5]C[5,5,6]C[3]O[3])(C[6]C[6,6]O)(H)	C[3,5](C[5,5,6]C[5,3x6]C[5,6]C[5])(C[5,6]C[5,6,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])	C[6](C[5,6]C[5,6,6]C[3,5]H)(C[6,6]C[6,6]C[6]C)(O)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]O)(C[3,5]C[5,5,6]C[3]O[3])(C[6]C[6,6]O)(H){2|H<1>,3|C<3>,6|C<4>}	C[3,5](C[5,5,6]C[5,3x6]C[5,6]C[5])(C[5,6]C[5,6,6]C[6]H)(C[3]O[3]HH)(O[3]C[3]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[3,5]H)(C[6,6]C[6,6]C[6]C)(O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	111.1255	0.261	2	111.1255	0.068	2	111.1255	0.068	2	111.1255	0.068	2	110.4000	5.436	6	112.3946	16.314	15
474	486	762	0:SP3_SP2_SP3	C[5,6]	C[3,5]	C[6]	4:4:3:2:	4:4:2:1:	4:3:4:	C[3,5]-4:C[5,6]-4:C[6]-3:O-2:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(C[5,6]C[5,6]C[6]O)(O[3]C[3,5,6])(H)	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3)	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH){3|H<1>,4|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(C[5,6]C[5,6]C[6]O)(O[3]C[3,5,6])(H){1|C<3>,1|H<1>,7|C<4>}	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3){1|O<2>,3|H<1>,4|C<4>}	105.7550	0.000	1	105.7550	0.000	1	105.7550	0.000	1	105.7550	0.000	1	110.4000	5.436	6	112.3946	16.314	15
474	486	762	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6]	4:3:2:1:	4:4:2:1:	4:3:3:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	116.4080	0.000	1	116.7188	3.060	4	116.7188	3.060	4	116.7188	3.060	4	116.7188	3.060	4	112.3946	16.314	15
474	486	762	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6]	4:3:2:1:	4:4:2:1:	4:3:3:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	115.6005	0.305	2	116.7188	3.060	4	116.7188	3.060	4	116.7188	3.060	4	116.7188	3.060	4	112.3946	16.314	15
474	486	762	0:SP3_SP2_SP3	C[5]	C[3,5]	C[6]	4:3:2:1:	4:4:2:1:	4:3:3:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.2660	0.000	1	116.7188	3.060	4	116.7188	3.060	4	116.7188	3.060	4	116.7188	3.060	4	112.3946	16.314	15
474	486	762	6:SP3_SP2_SP3	C[5,4x6]	C[3,3x6]	C[6,6]	4:3:3:3:	4:4:4:2:	4:3:1:	C[3,3x6]-4:N[5,6,6]-3:N[5,6]-3:C[6,6]-3:	C[5,4x6]-4:C[3,6]-4:C[6,6]-4:O[3]-2:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6])	C[6,6](C[5,4x6]C[3,3x6]N[5,6,6]N[5,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,2|O<1>,3|C<3>,5|H<1>}	C[3,3x6](C[5,4x6]N[5,6,6]C[6,6]N[5,6])(C[3,6]C[6,6a]O[3]H)(C[6,6]C[3x6]HH)(O[3]C[3,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[5,4x6]C[3,3x6]N[5,6,6]N[5,6])(C[6,6]C[3x6]H)(H){2|O<2>,3|C<3>,3|C<4>}	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	111.2454	4.749	11
474	486	762	6:SP3_SP2_SP3	C[5,6]	C[3,5,5,6]	C[6]	4:3:3:1:	4:4:3:4:	4:3:1:	C[3,5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H)	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)	C[6](C[5,6]C[3,5,5,6]N[5]H)(C[6]C[6]H)(H)	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[3,5,5,6]N[5]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	111.2470	0.000	1	111.2470	0.000	1	111.2470	0.000	1	111.2470	0.000	1	111.2470	0.000	1	111.2454	4.749	11
474	486	762	6:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[6,6]	4:3:4:4:	4:4:4:2:	4:4:3:	C[3,5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,6]-4:C[3,5]-4:C[6]-4:O[3]-2:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	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[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){5|C<4>,5|H<1>}	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[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<2>,6|C<4>,6|H<1>}	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	109.5575	0.702	2	111.2454	4.749	11
474	486	762	6:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[6,6]	4:3:4:4:	4:4:4:4:	4:4:3:	C[3,5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6]C[6]HH)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	110.1500	0.000	1	110.1500	0.000	1	110.1500	0.000	1	110.1500	0.000	1	109.5575	0.702	2	111.2454	4.749	11
474	486	762	6:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[6]	4:3:2:4:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[6]-3:O[5]-2:C-4:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]O[5]C)(H)	C[6](C[5,6]C[3,5,6]O[5]C)(C[6]C[6]Br)(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]O[5]C)(H){1|C<3>,1|H<1>,2|O<1>}	C[6](C[5,6]C[3,5,6]O[5]C)(C[6]C[6]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	112.2653	3.272	7	111.2454	4.749	11
474	486	762	6:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[6]	4:3:3:3:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[3,5]-4:C[3,6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	C[3,5,6](C[5,6]C[6a]C[6]N[5])(C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(H)	C[6](C[5,6]C[3,5,6]C[6a]N[5])(C[6]C[6]H)(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){4|C<3>,6|H<1>}	C[3,5,6](C[5,6]C[6a]C[6]N[5])(C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(H){1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[3,5,6]C[6a]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>,3|C<4>}	112.7530	0.000	1	112.7530	0.000	1	112.7530	0.000	1	112.7530	0.000	1	112.2653	3.272	7	111.2454	4.749	11
474	486	762	6:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5,6]-4:C[5]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[3,5,6]C[3,6]2C[5])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[3,5,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]O[6]2)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[3,5,6]C[3,6]2C[5])(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,3|O<2>,5|H<1>}	C[3,5,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]O[6]2)(C[5,6]C[5]C[6]H)(C[5]C[5]HO){1|C<2>,1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<4>}	114.5985	0.347	2	114.5985	0.121	2	114.5985	0.121	2	114.5985	0.121	2	112.2653	3.272	7	111.2454	4.749	11
474	486	762	6:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[6]	4:4:3:4:	4:4:3:2:	4:3:1:	C[3,5,6]-4:C[5]-4:C[6]-3:C-4:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6](C[5,6]C[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	112.2653	3.272	7	111.2454	4.749	11
474	486	762	6:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[6]	4:4:3:4:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[5]-4:C[6]-3:C-4:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	C[3,5,6](C[3,5]C[3,6]C[5]S)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|S<4>,2|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[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,5|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	110.8400	0.542	2	110.8400	0.293	2	110.8400	0.293	2	110.8400	0.293	2	112.2653	3.272	7	111.2454	4.749	11
474	486	813	0:SP3_SP2_SP3	C[5]	C[3,5]	N[5a]	3:4:4:1:	4:4:4:1:	3:4:3:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]N[5a]C[5]H)(C[3]C[3,5]HH)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|N<2>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]N[5a]C[5]H)(C[3]C[3,5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H){2|C<3>,3|C<4>,3|H<1>}	110.3480	0.000	1	110.3480	0.000	1	110.5383	0.105	3	110.5383	0.105	3	110.7300	0.256	7	110.8276	0.296	8
474	486	813	0:SP3_SP2_SP3	C[5]	C[3,5]	N[5a]	3:4:4:1:	4:4:4:1:	3:4:3:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[5]N[5a]C[5]H)(C[3]C[3,5]HH)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]N[5a]C[5]H)(C[3]C[3,5]HH)(H){1|C<2>,1|H<1>,2|C<3>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	110.6335	0.394	2	110.6335	0.155	2	110.5383	0.105	3	110.5383	0.105	3	110.7300	0.256	7	110.8276	0.296	8
474	486	813	0:SP3_SP2_SP3	C[5]	C[3,5]	N[5a]	4:3:2:1:	4:4:2:1:	4:3:2:	C[3,5]-4:N[5a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5a]O[5]H)(O[3]C[3,5])(H)	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5a]O[5]H)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	110.5927	0.306	3	110.5927	0.094	3	110.5927	0.094	3	110.5927	0.094	3	110.7300	0.256	7	110.8276	0.296	8
474	486	813	0:SP3_SP2_SP3	C[5]	C[3,5]	N[5a]	4:3:4:1:	4:4:4:3:	4:3:3:	C[3,5]-4:N[5a]-3:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]N[5a]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	N[5a](C[5]C[3,5]C[5]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5a]C[5a]N[5a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]N[5a]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5a](C[5]C[3,5]C[5]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	110.7300	0.256	7	110.8276	0.296	8
474	486	813	0:SP3_SP2_SP3	C[5]	C[3]	N[5,5a]	3:3:3:4:	4:4:4:4:	4:3:2:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C[3]-4:	C[5]-4:C[3]-4:C[3]-4:C-4:	C[5]-4:C[5,5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C)	C[3](C[5]C[5,6a]N[5,5a]C[6a])(C[3]C[3]HH)2(CF3)	N[5,5a](C[5]C[5,6a]C[6a]C[3])(C[5,5a]C[5,6a]C[5a])(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[3]C[3]2C){1|N<2>,5|C<3>,7|H<1>}	C[3](C[5]C[5,6a]N[5,5a]C[6a])(C[3]C[3]HH)2(CF3){1|N<2>,5|C<3>}	N[5,5a](C[5]C[5,6a]C[6a]C[3])(C[5,5a]C[5,6a]C[5a])(N[5a]N[5a]){3|C<4>,5|C<3>}	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	111.5110	0.000	1	110.8276	0.296	8
474	486	813	5:SP3_SP2_SP3	C[5]	C[3,5]	N[5,5a]	3:4:1:1:	4:4:4:1:	3:3:4:	N[5,5a]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3,5]C[3,5]C[3]H)(H)2	C[3,5](C[3,5]C[5,5a]C[3]C)(C[5]N[5,5a]HH)(C[3]C[3,5]HH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[3,5]C[5a])(C[5]C[3,5]HH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3,5]C[3,5]C[3]H)(H)2{2|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,5a]C[3]C)(C[5]N[5,5a]HH)(C[3]C[3,5]HH)(H){2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[3,5]C[5a])(C[5]C[3,5]HH){1|C<4>,2|H<1>,4|C<3>}	101.8530	0.000	1	101.8530	0.000	1	101.8530	0.000	1	101.8530	0.000	1	101.8530	0.000	1	101.8530	0.000	1
474	486	818	0:SP3_SP2_SP3	C[3x5,6,6]	C[3,5,6]	C[5]	4:4:4:3:	4:5:4:4:	4:2:1:	C[3x5,6,6]-4:C[3,5,6]-4:C[5,5,6]-4:C[5]-3:	C[3x5,6,6]-4:B[3x3,5]-5:C[3,3,6]-4:C-4:	C[3x5,6,6]-4:O[5]-2:O-1:	C[3x5,6,6](C[3x5,6,6]C[3,5,6]C[5,5,6]C[5])(C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)	C[3,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(CH3)	C[5](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5,5,6])(O[5]C[5])(O)	C[3x5,6,6](C[3x5,6,6]C[3,5,6]C[5,5,6]C[5])(C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O){1|C<3>,1|F<1>,1|O<1>,4|C<4>,4|H<1>}	C[3,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	C[5](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5,5,6])(O[5]C[5])(O){1|B<5>,1|H<1>,1|O<1>,6|C<4>}	110.0425	0.626	2	110.0425	0.392	2	110.0425	0.392	2	110.0425	0.392	2	110.0425	0.392	2	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[4x5,6]	C[3,5,5,6]	C[5]	4:4:3:3:	4:4:4:3:	4:2:1:	C[3,5,5,6]-4:C[4x5]-4:C[5,5,6]-3:C[5]-3:	C[3,5,5,6]-4:C[4x5,6]-4:C[3,5,5]-4:C-3:	C[4x5,6]-4:O[5]-2:O-1:	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]O[5,5]C)(C[5,5,6]C[5,6]C[5])(C[5]O[5]O)	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[4x5,6]C[5,5,6]C[4x5]C[5])(C[3,5,5]C[3,5,5,6]O[5,5]C)(COO)	C[5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[4x5])(O[5]C[5])(O)	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]O[5,5]C)(C[5,5,6]C[5,6]C[5])(C[5]O[5]O){1|C<4>,5|H<1>}	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[4x5,6]C[5,5,6]C[4x5]C[5])(C[3,5,5]C[3,5,5,6]O[5,5]C)(COO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[4x5])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	120.0020	0.000	1	120.0020	0.000	1	120.0020	0.000	1	120.0020	0.000	1	120.0020	0.000	1	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5,6,6]	C[3,5,6]	C[5]	4:4:4:3:	4:4:4:2:	4:2:1:	C[3x5,6]-4:C[3,5,6]-4:C[3x6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6,6]-4:C[3]-4:O[3]-2:	C[5,5,6,6]-4:O[5]-2:O-1:	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[3,5,6]C[5,6,6]C[3]O[3])(C[3x6]C[4x6]C[6]C)(C[5]O[5]O)	C[3,5,6](C[5,5,6,6]C[3x5,6]C[3x6]C[5])(C[5,6,6]C[5,5,6]C[6,6]C)(C[3]O[3]HH)(O[3]C[3])	C[5](C[5,5,6,6]C[3,5,6]C[3x5,6]C[3x6])(O[5]C[5])(O)	C[5,5,6,6](C[3x5,6]C[5,5,6]O[5,6]C[5])(C[3,5,6]C[5,6,6]C[3]O[3])(C[3x6]C[4x6]C[6]C)(C[5]O[5]O){1|C<3>,2|O<2>,5|C<4>,5|H<1>}	C[3,5,6](C[5,5,6,6]C[3x5,6]C[3x6]C[5])(C[5,6,6]C[5,5,6]C[6,6]C)(C[3]O[3]HH)(O[3]C[3]){1|O<1>,2|H<1>,4|C<4>,4|O<2>}	C[5](C[5,5,6,6]C[3,5,6]C[3x5,6]C[3x6])(O[5]C[5])(O){1|H<1>,2|O<2>,7|C<4>}	113.8962	0.906	4	113.8962	0.821	4	113.8962	0.821	4	113.8962	0.821	4	113.8962	0.821	4	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5,6]	C[3,5]	C[5,6]	4:4:3:4:	4:4:4:2:	4:3:3:	C[5,3x6]-4:C[3,5]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[5,5,6]-4:C[6]-3:C[5]-3:	C[5,5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[3,5]C[5,6]C[3]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[3,5](C[5,5,6]C[5,3x6]C[5,6]C[5])(C[5,6]C[5,6,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])	C[5,6](C[5,5,6]C[5,3x6]C[3,5]C[5])(C[6]C[6,6]H)(C[5]O[5]O)	C[5,5,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[3,5]C[5,6]C[3]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[3,5](C[5,5,6]C[5,3x6]C[5,6]C[5])(C[5,6]C[5,6,6]C[6]H)(C[3]O[3]HH)(O[3]C[3]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,3x6]C[3,5]C[5])(C[6]C[6,6]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	103.9135	0.336	2	103.9135	0.113	2	103.9135	0.113	2	103.9135	0.113	2	103.9135	0.113	2	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	3:4:3:3:	4:3:4:4:	4:3:1:	C[5,6a]-3:C[3,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:N[3,5]-3:C[3]-4:C-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H)	C[3,5](C[5,5]C[5,6a]C[5]N[5])(N[3,5]C[3]C[5])(C[3]N[3,5]CH)(CH3)	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H){4|C<3>,4|H<1>}	C[3,5](C[5,5]C[5,6a]C[5]N[5])(N[3,5]C[3]C[5])(C[3]N[3,5]CH)(CH3){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]H)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	112.0200	10.587	20	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	3:4:3:3:	4:4:4:4:	4:3:1:	C[5,6a]-3:C[3,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O)	C[3,5](C[5,5]C[5,6a]C[5]2)(C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O){1|S<4>,3|C<3>,4|H<1>}	C[3,5](C[5,5]C[5,6a]C[5]2)(C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[3,5]C[5])(N[5]C[5,6a]C)(O){3|C<4>,4|C<3>}	111.5240	0.000	1	111.5240	0.000	1	111.5240	0.000	1	111.5240	0.000	1	112.0200	10.587	20	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	4:3:3:2:	4:4:3:1:	4:3:1:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	115.4742	0.526	4	115.4742	0.276	4	115.4742	0.276	4	115.4742	0.276	4	112.0200	10.587	20	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	4:3:3:2:	4:4:3:1:	4:3:3:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[5,5]-4:C[5,6]-3:C-3:	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){2|H<1>,3|C<3>}	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	118.3200	0.000	1	118.3200	0.000	1	118.3200	0.000	1	118.3200	0.000	1	112.0200	10.587	20	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	4:3:3:3:	4:4:4:3:	4:3:1:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]H)(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){2|C<4>,6|C<3>,6|H<1>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]CH)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]H)(O){3|C<3>,4|C<4>}	109.9940	0.000	1	109.9940	0.000	1	107.9390	8.446	2	110.5473	8.651	6	112.0200	10.587	20	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	4:3:3:3:	4:4:4:3:	4:3:1:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|H<1>,6|C<3>}	C[3,5](C[5,5]C[5,6a]N[5,5]C[5])(C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|H<1>,8|C<3>}	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(O){3|C<3>,4|C<4>}	105.8840	0.000	1	105.8840	0.000	1	107.9390	8.446	2	110.5473	8.651	6	112.0200	10.587	20	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	4:3:3:3:	4:4:4:3:	4:3:1:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[3,5](C[3,5]C[5,5]C[3]C)(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{3|C<4>,4|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,5]C[3]C)(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	110.7545	0.391	2	110.7545	0.153	2	111.8515	4.799	4	110.5473	8.651	6	112.0200	10.587	20	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	4:3:3:3:	4:4:4:3:	4:3:1:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{2|C<4>,4|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,2|O<1>,3|H<1>,8|C<3>}	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	112.9485	3.071	2	112.9485	9.431	2	111.8515	4.799	4	110.5473	8.651	6	112.0200	10.587	20	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	4:3:3:3:	4:4:4:4:	4:3:1:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[3,5]-4:C[5,5]-4:C[3]-4:C-4:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]HH)(CH3)	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{2|C<3>,2|C<4>,6|H<1>}	C[3,5](C[3,5]C[5,5]C[3]H)(C[5,5]N[5,5]C[5]2)(C[3]C[3,5]HH)(CH3){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	109.3302	0.884	4	109.3302	0.782	4	109.3302	0.782	4	109.3302	0.782	4	112.0200	10.587	20	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	4:3:4:3:	4:4:4:3:	4:3:1:	C[3,5]-4:C[5,6a]-3:N[5]-4:C[5]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O)	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]C)(O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	C[3,5](C[5,5]C[5,6a]C[5]N[5])(C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,5|H<1>,8|C<3>}	C[5](C[5,5]C[5,6a]C[3,5]N[5])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>,4|C<4>}	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	112.0200	10.587	20	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:1:	4:3:4:	C[3x5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5,6]-4:C[5,5]-4:C[3]-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[3,5]C[3,5,6]C[3]H)(C[5]C[5]C)(H)	C[3,5](C[3,5,6]C[5,5,6]C[3]C[6])(C[5,5]C[3x5]C[5]H)(C[3]C[3,5,6]HH)(H)	C[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]H)(CH3)	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[3,5]C[3,5,6]C[3]H)(C[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3,5,6]C[5,5,6]C[3]C[6])(C[5,5]C[3x5]C[5]H)(C[3]C[3,5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]H)(CH3){3|H<1>,4|C<4>}	114.5320	0.000	1	114.5320	0.000	1	114.5320	0.000	1	114.5320	0.000	1	112.0200	10.587	20	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[3]-4:C[3]-4:C[5]-4:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]2H)(C[5]C[5]O)(H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]C[3]HH)2(C[5]C[5]HH)	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]C[5]HH)(O)	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]2H)(C[5]C[5]O)(H){10|H<1>,2|C<3>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]C[3]HH)2(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]C[5]HH)(O){3|H<1>,4|C<4>}	114.1430	0.000	1	114.1430	0.000	1	114.1430	0.000	1	114.1430	0.000	1	112.0200	10.587	20	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,5]	C[3]	C[5]	3:3:4:4:	4:4:4:1:	4:3:1:	N[5,5]-3:C[5]-3:C[3]-4:C[5]-4:	C[5,5]-4:C[3]-4:C[3]-4:H-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[3]C[3]2H)(C[5]C[5]CN)	C[3](C[5,5]N[5,5]C[5]2)(C[3]C[3]HH)2(H)	C[5](C[5,5]N[5,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[3]C[3]2H)(C[5]C[5]CN){1|O<1>,2|C<3>,4|H<1>}	C[3](C[5,5]N[5,5]C[5]2)(C[3]C[3]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,5]N[5,5]C[3]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	103.7250	0.000	1	103.7250	0.000	1	103.7250	0.000	1	103.7250	0.000	1	103.7250	0.000	1	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,6]	C[3,6]	C[5]	4:3:4:3:	4:4:3:2:	4:3:1:	C[3,6]-4:C[5]-3:C[6]-4:C[5]-3:	C[3,6]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[3,6]C[3,6]C[6a]O[3])(C[5]C[6a]N[5])(C[6]C[6]HH)(C[5]N[5]O)	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6])	C[5](C[5,6]C[3,6]C[5]C[6])(N[5]C[6a]N[5])(O)	C[5,6](C[3,6]C[3,6]C[6a]O[3])(C[5]C[6a]N[5])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6]C[3,6]C[5]C[6])(N[5]C[6a]N[5])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	110.8650	0.000	1	110.8650	0.000	1	110.8650	0.000	1	110.8650	0.000	1	113.7900	11.122	5	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,6]	C[3,6]	C[5]	4:3:4:3:	4:4:3:2:	4:3:2:	C[3,6]-4:C[5]-3:C[6]-4:C[5]-3:	C[3,6]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[3,6]C[3,6]C[6a]O[3])(C[5]C[6a]N[5])(C[6]C[6]HH)(C[5]N[5]O)	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6])	C[5](C[5,6]C[3,6]C[5]C[6])(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[3,6]C[3,6]C[6a]O[3])(C[5]C[6a]N[5])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[3]C[3,6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6]C[3,6]C[5]C[6])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	119.2430	0.000	1	119.2430	0.000	1	119.2430	0.000	1	119.2430	0.000	1	113.7900	11.122	5	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,6]	C[3,6]	C[5]	4:4:3:1:	4:4:2:4:	4:2:1:	C[5,6,6]-4:C[3,6]-4:C[5]-3:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[3,6]C[3,6]O[3]C)(C[5]O[5]O)(H)	C[3,6](C[5,6]C[5,6,6]C[5]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(CH3)	C[5](C[5,6]C[5,6,6]C[3,6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[3,6]C[3,6]O[3]C)(C[5]O[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[5,6]C[5,6,6]C[5]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[3,6]H)(O[5]C[5,6])(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	114.4320	0.000	1	114.4320	0.000	1	114.4320	0.000	1	114.4320	0.000	1	113.7900	11.122	5	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,6]	C[3,6]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[3,6]-4:C[3]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]OO)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]OO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6]C[3,6]C[5,6]H)(N[5]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	113.7900	11.122	5	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5,6]	C[3,6]	C[5]	4:4:3:1:	4:4:4:4:	4:3:3:	C[3,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3,6,6]-4:C[5,6]-4:C[3]-4:C-4:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[3,6]C[3,6,6]C[3]C)(C[5,6]C[6]O[5]H)(C[5]C[5]C)(H)	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[3]C[3,6,6]HH)(CCHH)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]O)(CHH)	C[5,6](C[3,6]C[3,6,6]C[3]C)(C[5,6]C[6]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[3]C[3,6,6]HH)(CCHH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]O)(CHH){1|H<1>,4|C<4>}	112.8220	0.000	1	112.8220	0.000	1	112.8220	0.000	1	112.8220	0.000	1	113.7900	11.122	5	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5]	C[3]	C[5,6]	3:4:2:1:	4:4:4:3:	3:4:3:	C[5,6]-3:C[3]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:C[3]-4:C-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[3]C[3]2C)(O[5]C[5])(H)	C[3](C[5]C[5,6]O[5]H)(C[3]C[3]CH)(C[3]C[3]HH)(COO)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[3]O[5]H)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[3]C[3]2C)(O[5]C[5])(H){2|O<1>,3|C<4>,3|H<1>}	C[3](C[5]C[5,6]O[5]H)(C[3]C[3]CH)(C[3]C[3]HH)(COO){3|C<3>}	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[3]O[5]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	120.6202	0.968	4	120.6202	0.937	4	120.6202	0.937	4	120.6202	0.937	4	120.6202	0.937	4	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5]	C[3]	C[5]	3:3:4:1:	4:4:4:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[3]-4:H-1:	C[5]-4:C[3]-4:C[3]-4:N-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[3]C[3]2N)(H)	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(NCS)	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[3]C[3]2N)(H){5|C<3>,5|H<1>}	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(NCS){4|C<3>}	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|S<4>,2|C<4>,6|C<3>}	110.1930	0.000	1	110.1930	0.000	1	110.1930	0.000	1	110.1930	0.000	1	110.7661	9.371	13	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5]	C[3]	C[5]	3:4:3:1:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[3]-4:C[5]-3:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2H)(C[5]C[5]H)(H)	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(H)	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2H)(C[5]C[5]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	112.8220	0.000	1	112.8220	0.000	1	112.8220	0.000	1	112.8220	0.000	1	110.7661	9.371	13	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5]	C[3]	C[5]	3:4:3:1:	4:4:4:3:	4:2:1:	C[5,6a]-3:C[3]-4:C[5]-3:H-1:	C[5]-4:C[3]-4:C[3]-4:C-3:	C[5]-4:N[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2C)(C[5]N[5]O)(H)	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(CCO)	C[5](C[5]C[5,6a]C[3]H)(N[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2C)(C[5]N[5]O)(H){1|Cl<1>,2|C<3>,4|H<1>}	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(CCO){1|N<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C[3]H)(N[5]C[5,6a])(O){2|C<4>,3|C<3>}	112.7740	0.000	1	112.7740	0.000	1	112.7740	0.000	1	112.7740	0.000	1	110.7661	9.371	13	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5]	C[3]	C[5]	4:3:2:2:	4:4:4:1:	4:4:1:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[3]O[5]O)(O)	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH){2|H<1>,6|C<4>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[3]O[5]O)(O){1|O<2>,2|H<1>,5|C<4>}	107.4135	1.258	2	107.2353	2.236	4	107.2353	2.236	4	110.3439	16.526	7	110.7661	9.371	13	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5]	C[3]	C[5]	4:3:2:2:	4:4:4:1:	4:4:1:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]C[5]O[5]O)(H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[3]O[5]O)(O)	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH){2|H<1>,6|C<4>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[3]O[5]O)(O){1|O<2>,2|H<1>,5|C<4>}	107.0570	2.236	2	107.2353	2.236	4	107.2353	2.236	4	110.3439	16.526	7	110.7661	9.371	13	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5]	C[3]	C[5]	4:3:2:2:	4:4:4:1:	4:4:1:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH)	C[3](C[5]C[5]O[5]O)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C[5](C[5]C[3]O[5]O)(C[5]C[5]CH)(O)	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,6|C<4>}	C[3](C[5]C[5]O[5]O)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|O<1>,2|C<4>}	C[5](C[5]C[3]O[5]O)(C[5]C[5]CH)(O){1|H<1>,4|C<4>}	114.4887	1.062	3	114.4887	1.127	3	114.4887	1.127	3	110.3439	16.526	7	110.7661	9.371	13	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5]	C[3]	C[5]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3]-4:C[5]-4:C[5]-3:H-1:	C[3]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[3](C[3]C[3]HH)2(C[5]C[5]2H)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]C)(H)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]H)(H){2|C<3>,5|H<1>}	C[3](C[3]C[3]HH)2(C[5]C[5]2H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]C)(H){2|C<3>,2|C<4>,3|H<1>}	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	110.7661	9.371	13	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5]	C[3]	C[5]	4:4:3:1:	4:4:4:1:	4:3:4:	C[3]-4:C[5]-4:C[5]-3:H-1:	C[3]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]2H)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]H)(CCCH)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[3](C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]2H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[3]C[5]H)(C[5]C[5]H)(CCCH){1|O<1>,2|H<1>,3|C<4>}	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	110.7661	9.371	13	112.2888	19.175	52
474	486	818	0:SP3_SP2_SP3	C[5]	C[3]	C[5]	4:4:3:2:	4:4:2:1:	4:2:1:	C[3]-4:C[5]-4:C[5]-3:O-2:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[3]C[3,5]O[3]H)(C[5]C[5]CH)(C[5]O[5]O)(OH)	C[3](C[3,5]C[5]2O[3])(C[5]C[5]2O)(O[3]C[3,5])(H)	C[5](C[5]C[3]C[5]O)(O[5]C[5])(O)	C[5](C[3]C[3,5]O[3]H)(C[5]C[5]CH)(C[5]O[5]O)(OH){4|C<4>}	C[3](C[3,5]C[5]2O[3])(C[5]C[5]2O)(O[3]C[3,5])(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[5](C[5]C[3]C[5]O)(O[5]C[5])(O){1|O<2>,2|H<1>,4|C<4>}	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	110.5150	0.000	1	110.7661	9.371	13	112.2888	19.175	52
474	486	818	5:SP3_SP2_SP3	C[5,5,6]	C[3,5,5]	C[5,6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5,5]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,3x6]C[5,3x6]C[6]2)(C[5,6]C[5,6]H)(H)	C[3,5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(C[3]C[3]HH)2	C[5,6](C[5,5,6]C[3,5,5]C[5,3x6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,3x6]C[5,3x6]C[6]2)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,8|H<1>}	C[3,5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(C[3]C[3]HH)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,3x6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,4|C<4>}	98.9891	0.009	2	98.9891	0.000	2	98.9891	0.000	2	99.4521	0.156	10	99.4521	0.156	10	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5,6]	C[3,5,5]	C[5,6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5,5]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(H)	C[3,5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[3]C[3]HH)2	C[5,6](C[5,5,6]C[3,5,5]C[5,5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,8|H<1>}	C[3,5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[3]C[3]HH)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	100.0640	0.000	1	100.0640	0.000	1	100.0640	0.000	1	99.4521	0.156	10	99.4521	0.156	10	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5,6]	C[3,5,5]	C[5,6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[3,5,5](C[5,5,6]C[5,6]2H)2(C[3]C[3]HH)2	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<3>,7|H<1>}	C[3,5,5](C[5,5,6]C[5,6]2H)2(C[3]C[3]HH)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,4|C<4>}	99.3710	0.188	3	99.3710	0.035	3	99.5382	0.103	6	99.4521	0.156	10	99.4521	0.156	10	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5,6]	C[3,5,5]	C[5,6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[3,5,5](C[5,5,6]C[5,6]2H)2(C[3]C[3]HH)2	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[3,5,5](C[5,5,6]C[5,6]2H)2(C[3]C[3]HH)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	99.7054	0.372	3	99.7054	0.139	3	99.5382	0.103	6	99.4521	0.156	10	99.4521	0.156	10	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5,6]	C[3,5,5]	C[5,6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[5,5,6]-4:C[3,5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]H)(H)	C[3,5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[3]C[3]HH)2	C[5,6](C[5,5,6]C[3,5,5]C[5,5,6]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]H)(H){2|C<3>,2|C<4>,7|H<1>}	C[3,5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[3]C[3]HH)2{1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,5]C[5,5,6]H)(C[5,6]C[5,5,6]H)(H){2|H<1>,4|C<4>}	99.2499	0.000	1	99.2499	0.000	1	99.2499	0.000	1	99.4521	0.156	10	99.4521	0.156	10	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5,6]	C[3,5,6,6]	C[5]	4:4:4:3:	4:4:4:2:	4:2:1:	C[3,5,6,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,6,6]-4:C[5,5,6]-4:C[3,6]-4:O[3]-2:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[3,5,6,6]C[5,6,6]C[3,6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]O)	C[3,5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[5](C[5,5,6]C[3,5,6,6]C[5,6]C[5])(O[5]C[5,6,6])(O)	C[5,5,6](C[3,5,6,6]C[5,6,6]C[3,6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]O[5]O){4|C<4>,6|H<1>}	C[3,5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,5,6]C[5,6]C[5]2)(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<1>,6|H<1>,7|C<4>}	C[5](C[5,5,6]C[3,5,6,6]C[5,6]C[5])(O[5]C[5,6,6])(O){1|O<2>,2|H<1>,7|C<4>}	97.2179	0.273	3	97.2179	0.074	3	97.2179	0.074	3	97.2179	0.074	3	97.2179	0.074	3	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5]	4:4:4:3:	4:4:4:1:	4:3:2:	C[3,5,6]-4:C[5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[3,5]-4:C[3,6]-4:H-1:	C[5,5,6]-4:C[5]-3:O-2:	C[5,5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]C[5]O)	C[3,5,6](C[5,5,6]C[5,6]C[5]2)(C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(H)	C[5](C[5,5,6]C[3,5,6]C[5,6]C[5])(C[5]C[3,5]H)(OC)	C[5,5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,7|H<1>}	C[3,5,6](C[5,5,6]C[5,6]C[5]2)(C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5,5,6]C[3,5,6]C[5,6]C[5])(C[5]C[3,5]H)(OC){1|C<3>,4|C<4>,4|H<1>}	101.4380	0.348	2	101.4380	0.121	2	101.4380	0.121	2	101.4380	0.121	2	101.4380	0.121	2	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5,6]	3:4:3:1:	4:4:4:3:	4:3:2:	C[5,6a]-3:C[3,5,5]-4:C[5,6]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[5,5]-4:C[5,6]-3:C[6]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5,6]C[5,6]C[6])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5,6]H)(C[3,5]C[3,5]C[5,6]H)(COS)	C[5,6](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6]C[3,5]C[6])(C[6]C[6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5,6]C[5,6]C[6])(H){2|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5,6]H)(C[3,5]C[3,5]C[5,6]H)(COS){1|C<2>,3|C<3>}	C[5,6](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6]C[3,5]C[6])(C[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	103.8300	0.000	1	103.8300	0.000	1	103.8300	0.000	1	103.8300	0.000	1	103.8300	0.000	1	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5]	3:4:3:1:	4:4:4:1:	4:3:4:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3,5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2H)(C[5]C[5]C)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5]H)(C[3,5]C[3,5]C[5]H)(H)	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2H)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5]H)(C[3,5]C[3,5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,5]C[3,5,5]C[5,6a]H)(C[5]C[3,5]H)(CC[6a]HO){1|C<4>,2|C<3>,2|H<1>}	103.8660	0.000	1	103.8660	0.000	1	103.8660	0.000	1	103.8660	0.000	1	103.6024	0.201	8	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5]	3:4:3:2:	4:4:4:3:	4:3:1:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:O-2:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(OC)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]O)(C[3,5]C[3,5]C[5]C)(COO)	C[5](C[5,5]C[3,5,5]C[5,6a]O)(C[5]C[3,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(OC){3|C<3>,3|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]O)(C[3,5]C[3,5]C[5]C)(COO){2|C<3>,2|H<1>}	C[5](C[5,5]C[3,5,5]C[5,6a]O)(C[5]C[3,5]H)(H){1|C<4>,4|C<3>}	103.3510	0.000	1	103.3510	0.000	1	103.3510	0.000	1	103.3510	0.000	1	103.6024	0.201	8	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5]	3:4:3:3:	4:4:4:3:	4:3:1:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:C-3:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(COO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]C)(C[3,5]C[3,5]C[5]H)(CC[6a]O)	C[5](C[5,5]C[3,5,5]C[5,6a]C)(C[5]C[3,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(COO){2|C<3>,4|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]C)(C[3,5]C[3,5]C[5]H)(CC[6a]O){2|C<3>,2|H<1>}	C[5](C[5,5]C[3,5,5]C[5,6a]C)(C[5]C[3,5]H)(H){1|C<4>,1|H<1>,3|C<3>}	103.8460	0.000	1	103.8460	0.000	1	103.8460	0.000	1	103.8460	0.000	1	103.6024	0.201	8	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5]	4:4:3:1:	4:4:4:2:	4:3:1:	C[3,5,5]-4:C[5]-4:C[5]-3:H-1:	C[3,5,5,6]-4:C[3,5]-4:C[5,5]-4:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[3,5,5]C[3,5,5,6]C[3,5]O)(C[5]C[5,5,6]HH)(C[5]C[5]H)(H)	C[3,5,5](C[3,5,5,6]C[5,5,6]2C[3,5])(C[3,5]C[3,5,5,6]C[5]H)(C[5,5]C[5]2H)(OC)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]H)(H)	C[5,5](C[3,5,5]C[3,5,5,6]C[3,5]O)(C[5]C[5,5,6]HH)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[3,5,5](C[3,5,5,6]C[5,5,6]2C[3,5])(C[3,5]C[3,5,5,6]C[5]H)(C[5,5]C[5]2H)(OC){3|C<4>,6|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]H)(H){1|O<2>,2|C<4>,3|H<1>}	103.1660	0.430	2	103.1660	0.185	2	103.1660	0.185	2	103.1660	0.185	2	103.6024	0.201	8	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5]	4:4:3:4:	4:4:4:4:	4:3:4:	C[3,5,5]-4:C[5]-4:C[5]-3:C-4:	C[3,5]-4:P[3,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[3,5,5]C[3,5]P[3,5]C)(C[5]C[5a]N[5]H)(C[5]C[5]C)(CH3)	C[3,5,5](C[3,5]P[3,5]C[5]C)(P[3,5]C[3,5]N[5]W)(C[5,5]C[5]2C)(CH3)	C[5](C[5,5]C[3,5,5]C[5]C)(C[5]C[3,5]C)(CH3)	C[5,5](C[3,5,5]C[3,5]P[3,5]C)(C[5]C[5a]N[5]H)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,1|W<6>,3|C<4>}	C[3,5,5](C[3,5]P[3,5]C[5]C)(P[3,5]C[3,5]N[5]W)(C[5,5]C[5]2C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,5]C[3,5,5]C[5]C)(C[5]C[3,5]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|P<4>,2|C<4>}	103.2420	0.000	1	103.2420	0.000	1	103.2420	0.000	1	103.8080	0.260	3	103.6024	0.201	8	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C[5]	4:4:3:4:	4:4:4:4:	4:3:4:	C[3,5,5]-4:P[5]-4:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[3,5,5]C[3,5]2C)(P[5]C[5]OW)(C[5]C[5]C)(CH3)	C[3,5,5](C[3,5]C[3,5]C[5]C)2(C[5,5]C[5]P[5]C)(CH3)	C[5](C[5,5]C[3,5,5]P[5]C)(C[5]C[3,5]C)(CH3)	C[5,5](C[3,5,5]C[3,5]2C)(P[5]C[5]OW)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[3,5,5](C[3,5]C[3,5]C[5]C)2(C[5,5]C[5]P[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|W<6>,2|C<4>}	C[5](C[5,5]C[3,5,5]P[5]C)(C[5]C[3,5]C)(CH3){1|O<2>,1|W<6>,4|C<4>}	104.0910	0.198	2	104.0910	0.039	2	104.0910	0.039	2	103.8080	0.260	3	103.6024	0.201	8	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	3:4:3:3:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[3,5]-4:C[3]-4:C-4:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O)	C[3,5](C[5,5]C[5,6a]C[5]2)(C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[5]C[5]C)(C[5]N[5]O){1|S<4>,3|C<3>,4|H<1>}	C[3,5](C[5,5]C[5,6a]C[5]2)(C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]H)(COO){1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|C<4>}	104.1380	0.000	1	104.1380	0.000	1	104.1380	0.000	1	104.1380	0.000	1	103.1028	1.143	4	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	4:4:4:3:	4:4:2:1:	4:2:1:	C[3,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[5,5]-4:O[3]-2:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[3,5]C[3,5]O[3]H)(C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[5]O[5]O)	C[3,5](C[3,5]O[3]O[5]H)(C[5,5]C[5]3)(O[3]C[3,5])(H)	C[5](C[5,5]C[3,5]C[5]2)(O[5]C[3,5])(O)	C[5,5](C[3,5]C[3,5]O[3]H)(C[5]C[5,6]CO)(C[5]C[5,6]HH)(C[5]O[5]O){2|C<4>,3|H<1>}	C[3,5](C[3,5]O[3]O[5]H)(C[5,5]C[5]3)(O[3]C[3,5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[3,5]C[5]2)(O[5]C[3,5])(O){2|O<2>,3|C<4>,4|H<1>}	102.1840	0.161	2	102.1840	0.026	2	102.1840	0.026	2	102.1840	0.026	2	103.1028	1.143	4	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,5]	C[3,5]	C[5]	4:4:4:3:	4:4:4:1:	4:4:1:	C[3,5]-4:C[5]-4:C[5]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]S[5]HH)(C[5]C[5]O)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5,5]C[5]3)(H)	C[5](C[5,5]C[3,5]C[5]2)(C[5]C[3,5]HH)(O)	C[5,5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(C[5]S[5]HH)(C[5]C[5]O){1|C<4>,6|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5,5]C[5]3)(H){1|C<4>,1|O<1>,1|S<2>,6|H<1>}	C[5](C[5,5]C[3,5]C[5]2)(C[5]C[3,5]HH)(O){1|S<2>,3|C<4>,5|H<1>}	103.9050	0.000	1	103.9050	0.000	1	103.9050	0.000	1	103.9050	0.000	1	103.1028	1.143	4	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,6,6]	C[3,5,6,6]	C[5,6,6]	4:4:3:2:	4:4:4:2:	4:3:4:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:O[3]-2:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO)	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6])	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO){2|C<4>,2|O<2>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6]){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6]O)(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){2|C<4>,3|O<2>,6|C<3>}	101.1970	0.000	1	101.1970	0.000	1	101.1970	0.000	1	101.1970	0.000	1	101.1970	0.000	1	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[3,5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[5](C[5,6]C[3,5,6]C[6]H)(O[5]C[3,5])(O)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[3,5,6]C[6]H)(O[5]C[3,5])(O){1|C<3>,2|C<4>,3|H<1>}	104.3710	0.000	1	104.3710	0.000	1	104.3710	0.000	1	104.3710	0.000	1	102.6252	5.609	4	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[5]	4:4:3:1:	4:4:4:4:	4:2:1:	C[3,5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[3,5,6]C[3,5]C[3,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(CH3)	C[5](C[5,6]C[3,5,6]C[6]H)(O[5]C[3,5])(O)	C[5,6](C[3,5,6]C[3,5]C[3,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[3,5,6]C[6]H)(O[5]C[3,5])(O){1|C<3>,2|H<1>,3|C<4>}	104.8950	0.000	1	104.8950	0.000	1	104.8950	0.000	1	104.8950	0.000	1	102.6252	5.609	4	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[5]	4:4:3:4:	4:4:4:2:	4:4:1:	C[3,5,6]-4:C[6]-4:C[5]-3:C-4:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6])	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]C[6]H)(O)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6]){2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]C[6]H)(O){2|O<2>,4|C<4>,4|H<1>}	101.1490	0.000	1	101.1490	0.000	1	100.6175	0.565	2	100.6175	0.565	2	102.6252	5.609	4	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[5]	4:4:3:4:	4:4:4:2:	4:4:1:	C[3,5,6]-4:C[6]-4:C[5]-3:C-4:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6])	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,7|H<1>}	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	100.0860	0.000	1	100.0860	0.000	1	100.6175	0.565	2	100.6175	0.565	2	102.6252	5.609	4	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,6]	C[3,5]	C[5,6,6]	3:4:4:2:	4:4:4:1:	3:4:4:	C[5,6,6]-3:C[3,5]-4:C[6]-4:O-2:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[6,6]-3:C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH)	C[3,5](C[5,6]C[5,6,6]C[6]O)(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,4|C<4>,4|H<1>}	C[3,5](C[5,6]C[5,6,6]C[6]O)(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	103.8980	0.000	1	103.8980	0.000	1	103.8980	0.000	1	103.8980	0.000	1	103.0447	0.749	3	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,6]	C[3,5]	C[5,6,6]	3:4:4:4:	4:4:4:1:	3:4:4:	C[5,6,6]-3:C[3,5]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[6,6]-3:C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3)	C[3,5](C[5,6]C[5,6,6]C[6]C)(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H)	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[5,6]C[5,6,6]C[6]C)(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	103.0680	0.000	1	103.0680	0.000	1	103.0680	0.000	1	103.0680	0.000	1	103.0447	0.749	3	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,6]	C[3,5]	C[5,6,6]	3:4:4:4:	4:4:4:1:	4:4:3:	C[5,6,6]-3:C[3,5]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3)	C[3,5](C[5,6]C[5,6,6]C[6]C)(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H)	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C[3,5](C[5,6]C[5,6,6]C[6]C)(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H){2|H<1>,3|C<4>}	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	102.1680	0.000	1	102.1680	0.000	1	102.1680	0.000	1	102.1680	0.000	1	103.0447	0.749	3	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,6]	C[3,5]	C[5,6]	4:3:4:1:	4:4:4:3:	3:4:3:	C[3,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[3,5]C[3,5]C[6a]C[3])(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H)	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H)	C[5,6](C[3,5]C[3,5]C[6a]C[3])(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H){4|C<3>,4|H<1>}	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2){1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	105.4660	0.000	1	105.4660	0.000	1	105.4660	0.000	1	105.4660	0.000	1	104.2890	1.572	7	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,6]	C[3,5]	C[5,6]	4:3:4:1:	4:4:4:4:	3:4:3:	C[3,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[3,5]C[3,5]C[3]C)(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H)	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(CCHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H)	C[5,6](C[3,5]C[3,5]C[3]C)(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(CCHH){1|C<3>,1|O<2>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	105.1560	0.389	2	105.1560	0.151	2	105.1560	0.151	2	105.1560	0.151	2	104.2890	1.572	7	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,6]	C[3,5]	C[5,6]	4:3:4:4:	4:4:4:1:	4:3:3:	C[3,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]H){1|O<1>,3|C<4>,3|H<1>}	103.6090	0.000	1	103.6090	0.000	1	103.6090	0.000	1	103.6090	0.000	1	104.2890	1.572	7	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,6]	C[3,5]	C[5,6]	4:3:4:4:	4:4:4:1:	4:4:3:	C[3,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H){1|O<2>,2|C<4>,5|H<1>}	102.6130	0.000	1	102.6130	0.000	1	102.6130	0.000	1	102.6130	0.000	1	104.2890	1.572	7	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,6]	C[3,5]	C[5,6]	4:4:3:4:	4:4:2:4:	4:4:3:	C[3,5]-4:C[3,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[5,6]-4:P[5]-4:C[6]-3:	C[5,6](C[3,5]C[3,5]O[3]C)(C[3,6]C[3,6]O[3]C)(C[5,6]C[6]P[5])(CH3)	C[3,5](C[5,6]C[3,6]C[5,6]C)(C[3,5]O[3]P[5]H)(O[3]C[3,5])(CH3)	C[5,6](C[5,6]C[3,5]C[3,6]C)(P[5]C[3,5]C[6a]W)(C[6]C[6]H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[3,6]C[3,6]O[3]C)(C[5,6]C[6]P[5])(CH3){1|W<6>,2|H<1>,3|C<3>}	C[3,5](C[5,6]C[3,6]C[5,6]C)(C[3,5]O[3]P[5]H)(O[3]C[3,5])(CH3){1|C<4>,1|O<2>,1|W<6>,3|C<3>}	C[5,6](C[5,6]C[3,5]C[3,6]C)(P[5]C[3,5]C[6a]W)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	105.2290	0.000	1	105.2290	0.000	1	105.2290	0.000	1	105.2290	0.000	1	104.2890	1.572	7	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5,6]	C[3,5]	C[5,6]	4:4:3:4:	4:4:4:1:	4:4:2:	C[3,5]-4:C[6,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-2:	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(CH3)	C[3,5](C[5,6]C[5,6]C[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3,5](C[5,6]C[5,6]C[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|C<2>,1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6]){1|O<1>,3|C<4>,3|H<1>}	102.7940	0.000	1	102.7940	0.000	1	102.7940	0.000	1	102.7940	0.000	1	104.2890	1.572	7	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5,5]	C[5]	4:3:2:1:	4:4:4:4:	4:4:3:	C[3,5,5]-4:C[5]-3:O-2:H-1:	C[3,5]-4:C[3]-4:C[5,5]-4:C[5]-4:	C[5]-4:C[5]-4:C-3:	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5]C[5]C)(OC)(H)	C[3,5,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5,5]C[5]2H)(C[5]C[5]HO)	C[5](C[5]C[3,5,5]HO)(C[5]C[5,5]CH)(CHH)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5]C[5]C)(OC)(H){4|C<4>,4|H<1>}	C[3,5,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5,5]C[5]2H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[3,5,5]HO)(C[5]C[5,5]CH)(CHH){1|H<1>,3|C<4>}	100.5250	0.000	1	100.5250	0.000	1	100.5250	0.000	1	100.5250	0.000	1	100.5250	0.000	1	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5,6]	C[5]	4:3:1:1:	4:4:4:4:	4:3:4:	C[3,5,6]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]C)(H)2	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[5](C[5]C[3,5,6]HH)(C[5]C[3,5]H)(CHHO)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]C)(H)2{3|H<1>,4|C<4>}	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[5](C[5]C[3,5,6]HH)(C[5]C[3,5]H)(CHHO){3|C<4>}	103.8950	0.000	1	103.8950	0.000	1	103.8950	0.000	1	103.8950	0.000	1	103.8950	0.000	1	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6]	4:3:1:1:	4:4:4:1:	3:4:4:	C[3,5]-4:C[5,6]-3:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[6])(H)2	C[3,5](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[3,5]C[5,6])(C[5]C[3,5]HH)(C[6]C[6]HH)	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[6])(H)2{3|H<1>,4|C<4>}	C[3,5](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5,6]HH)(H){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[3,5]C[5,6])(C[5]C[3,5]HH)(C[6]C[6]HH){3|C<4>,5|H<1>}	104.2100	0.000	1	104.2100	0.000	1	104.2100	0.000	1	104.2100	0.000	1	103.0643	0.993	3	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6]	4:3:4:2:	4:4:4:1:	4:4:2:	C[3,5]-4:C[5,6]-3:C-4:O-2:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-2:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]CO)(H)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6])	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]CO)(H){1|C<2>,2|C<4>}	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6]){1|O<1>,3|C<4>,3|H<1>}	102.5860	0.000	1	102.5860	0.000	1	102.5860	0.000	1	102.5860	0.000	1	103.0643	0.993	3	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5,6]	4:3:4:2:	4:4:4:1:	4:4:3:	C[3,5]-4:C[5,6]-3:C-4:O-2:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]CO)(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){3|C<4>,4|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]CO)(H){1|C<3>,2|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H){1|O<2>,2|C<4>,5|H<1>}	102.3970	0.000	1	102.3970	0.000	1	102.3970	0.000	1	102.3970	0.000	1	103.0643	0.993	3	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:1:1:	4:3:4:3:	4:2:1:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:N[3]-3:C[5]-4:C-3:	C[5]-4:O[5]-2:O-1:	C[5](C[3,5]C[3,5]N[3]C)(C[5]O[5]O)(H)2	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO)	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(O)	C[5](C[3,5]C[3,5]N[3]C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>}	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(O){1|N<3>,2|C<3>}	103.8420	0.000	1	103.8420	0.000	1	103.8420	0.000	1	103.8420	0.000	1	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:1:1:	4:4:2:1:	4:4:3:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]C)(H)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HH)(CCC)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HH)(CCC){2|C<4>,2|H<1>,2|O<2>}	104.5270	0.000	1	104.5270	0.000	1	104.5270	0.000	1	104.5270	0.000	1	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:1:1:	4:4:3:2:	4:3:1:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:O[3]-2:	C[5]-4:C[5]-3:O-1:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O)(H)2	C[3,5](C[3]O[3]CC)(C[5]C[5]HH)(C[5]C[5]2)(O[3]C[3])	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(O)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O)(H)2{4|C<4>}	C[3,5](C[3]O[3]CC)(C[5]C[5]HH)(C[5]C[5]2)(O[3]C[3]){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(O){1|O<2>,2|C<4>}	103.4342	0.346	5	103.4342	0.120	5	103.4342	0.120	5	103.4342	0.120	5	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:1:1:	4:4:3:4:	4:4:1:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:O-1:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]O)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(O)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(O){2|C<4>,3|C<3>}	106.3120	0.000	1	106.3120	0.000	1	106.3120	0.000	1	106.3120	0.000	1	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:1:1:	4:4:4:1:	4:3:1:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,1|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[3,5]C)(H){1|C<3>,1|C<4>,1|H<1>}	103.9660	0.000	1	103.9660	0.000	1	103.9660	0.000	1	103.9660	0.000	1	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:1:1:	4:4:4:2:	4:3:1:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]H)(H)2	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3])	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(H)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]H)(H)2{1|H<1>,4|C<4>}	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3]){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(H){1|H<1>,1|O<2>,2|C<4>}	102.5780	0.799	3	102.5780	0.638	3	102.5780	0.638	3	102.5780	0.638	3	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:1:1:	4:4:4:4:	4:3:1:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-4:	C[5]-4:C[5]-3:O-1:	C[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(H)2	C[3,5](C[3]C[3]Cl2)(C[3]C[3]CC)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(O)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(H)2{2|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[3,5](C[3]C[3]Cl2)(C[3]C[3]CC)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<1>}	C[5](C[5]C[3,5]HH)(C[5]C[5]C)(O){1|H<1>,3|C<4>}	103.6120	0.000	1	103.6120	0.000	1	103.6120	0.000	1	103.6120	0.000	1	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:1:1:	4:4:4:4:	4:4:1:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:O-1:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,5]O)(H)2	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CCCH)	C[5](C[5,5]C[3,5]C[5]2)(C[5]C[3,5]HH)(O)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,5]O)(H)2{2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CCCH){1|O<1>,2|C<4>}	C[5](C[5,5]C[3,5]C[5]2)(C[5]C[3,5]HH)(O){1|S<2>,3|C<4>,5|H<1>}	106.1380	0.000	1	106.1380	0.000	1	106.1380	0.000	1	106.1380	0.000	1	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:2:1:	4:4:4:1:	4:3:1:	C[3,5]-4:C[5]-3:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(OC)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HO)(H)	C[5](C[5]C[3,5]HO)(C[5]C[3,5]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HO)(H){1|C<4>,1|H<1>}	C[5](C[5]C[3,5]HO)(C[5]C[3,5]C)(H){1|C<3>,1|C<4>,1|H<1>}	103.8020	0.000	1	103.8020	0.000	1	103.8020	0.000	1	103.8020	0.000	1	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:3:1:	4:4:4:4:	4:2:1:	C[3,5]-4:C[6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C[3]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[3,5]C[3,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[3,5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]H)(C[3]C[3]HH)2	C[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(O)	C[5](C[3,5]C[3,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]H)(C[3]C[3]HH)2{1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(O){2|C<3>,4|C<4>}	101.5810	0.000	1	101.5810	0.000	1	101.5810	0.000	1	101.5810	0.000	1	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:3:1:	4:4:4:4:	4:4:1:	C[3,5]-4:C[6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(CC3)	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(O)	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]O)(H){3|C<3>,6|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(CC3){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(O){2|C<4>,3|C<3>}	105.7120	0.000	1	105.7120	0.000	1	105.7120	0.000	1	105.7120	0.000	1	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:3:2:	4:4:4:4:	4:2:1:	C[3,5]-4:C[6a]-3:C[5]-3:O-2:	C[4,5]-4:C[5]-4:C[3]-4:C[3]-4:	C[5]-4:O[5]-2:O-1:	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[3,5](C[4,5]C[4]2O[5])(C[5]C[6a]C[5]O)(C[3]C[3]HH)2	C[5](C[5]C[3,5]C[6a]O)(O[5]C[4,5])(O)	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[3,5](C[4,5]C[4]2O[5])(C[5]C[6a]C[5]O)(C[3]C[3]HH)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[3,5]C[6a]O)(O[5]C[4,5])(O){2|C<3>,4|C<4>}	99.1574	0.000	1	99.1574	0.000	1	99.1574	0.000	1	99.1574	0.000	1	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:4:1:	4:4:4:1:	4:4:3:	C[3,5]-4:C[5]-3:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]C[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5])	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]C[5]H)(C[5]C[5]CH)(H){1|C<4>,2|C<3>,3|O<2>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	104.1855	0.457	2	104.1855	0.209	2	104.3770	0.212	4	104.3770	0.212	4	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:4:1:	4:4:4:1:	4:4:3:	C[3,5]-4:C[5]-3:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]C[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5])	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]C[5]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	104.5685	0.530	2	104.5685	0.281	2	104.3770	0.212	4	104.3770	0.212	4	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:4:1:	4:4:4:4:	4:3:3:	C[3,5]-4:C[5]-3:C-4:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-4:	C[5]-4:C[5]-3:C-3:	C[5](C[3,5]C[3]2C[5])(C[5]C[5]C)(CC3)(H)	C[3,5](C[3]C[3]Cl2)(C[3]C[3]CC)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[3,5]CH)(C[5]C[5]O)(CCN)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]C)(CC3)(H){2|Cl<1>,1|O<1>,2|C<4>,2|H<1>}	C[3,5](C[3]C[3]Cl2)(C[3]C[3]CC)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<1>}	C[5](C[5]C[3,5]CH)(C[5]C[5]O)(CCN){2|C<4>,2|H<1>}	101.0990	0.000	1	101.0990	0.000	1	101.0990	0.000	1	101.0990	0.000	1	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:3:4:3:	4:4:4:1:	4:3:1:	C[3,5]-4:C[5]-3:C-4:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)(COO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]CC)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)(COO){1|C<3>,1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]CC)(H){1|C<4>,1|H<1>}	C[5](C[5]C[3,5]CC)(C[5]C[3,5]C)(H){1|C<4>,2|H<1>}	102.7870	0.000	1	102.7870	0.000	1	102.7870	0.000	1	102.7870	0.000	1	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:4:3:1:	4:4:2:4:	4:4:3:	C[3,5]-4:C[5]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:C[5]-4:C-3:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(CH3)	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HH)(CCC)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]HH)(CCC){2|C<4>,2|H<1>,2|O<2>}	103.8040	0.000	1	103.8040	0.000	1	103.8040	0.000	1	103.8040	0.000	1	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:2:	4:3:4:	C[3,5]-4:C[5]-4:C[5]-3:H-1:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:C[5]-3:C-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3])	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]H)(CH3)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<3>,4|C<4>,4|H<1>}	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3]){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]H)(CH3){2|C<4>,2|O<2>,3|H<1>}	102.1963	0.571	3	102.1963	0.326	3	102.1963	0.326	3	102.1963	0.326	3	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:4:3:1:	4:4:4:4:	4:4:3:	C[3,5]-4:C-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CH)(CH3)	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5])	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CH)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	106.2090	0.598	2	106.2090	0.358	2	106.2090	0.358	2	106.2090	0.358	2	103.6835	2.691	32	102.7057	4.871	80
474	486	818	5:SP3_SP2_SP3	C[5]	C[3,5]	C[5]	4:4:3:2:	4:4:4:4:	4:4:3:	C[3,5]-4:C-4:C[5]-3:O-2:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CO)(CH3)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5])	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CO)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	105.0570	0.823	2	105.0570	0.677	2	105.0570	0.677	2	105.0570	0.677	2	103.6835	2.691	32	102.7057	4.871	80
474	486	818	6:SP3_SP2_SP3	C[3x5,6,6]	C[3,5,5,6,6]	C[5,6]	4:4:3:4:	4:4:4:4:	4:3:1:	C[3,5,5,6,6]-4:C[4x5]-4:C[5,6]-3:C[6]-4:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6,6]-4:C[6]-4:	C[3x5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6]HH)	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH){1|Sn<4>,1|C<3>,6|H<1>}	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	108.3530	0.000	1	108.2680	0.014	2	108.2680	0.014	2	108.2680	0.014	2	108.0363	0.168	3	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[3x5,6,6]	C[3,5,5,6,6]	C[5,6]	4:4:3:4:	4:4:4:4:	4:3:1:	C[3,5,5,6,6]-4:C[4x5]-4:C[5,6]-3:C[6]-4:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6,6]-4:C[6]-4:	C[3x5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH)	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6]HH)	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[5,6]C[5,6]H)(C[6]C[6]HH){1|Sn<4>,1|C<4>,7|H<1>}	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H){2|O<2>,3|H<1>,4|C<4>}	108.1830	0.000	1	108.2680	0.014	2	108.2680	0.014	2	108.2680	0.014	2	108.0363	0.168	3	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[3x5,6,6]	C[3,5,5,6,6]	C[5,6]	4:4:4:3:	4:4:4:4:	4:3:1:	C[3,5,5,6,6]-4:C[4x5]-4:C[6]-4:C[5,6]-3:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6,6]-4:C[6]-4:	C[3x5,6,6]-4:C[5,6]-3:H-1:	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)(C[5,6]C[5,6]H)	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6,6a]HH)	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H)	C[3x5,6,6](C[3,5,5,6,6]C[3,5,5,6]C[3,5,5]C[6])(C[4x5]C[3x5,6]O[5,5]O)(C[6]C[6,6a]HH)(C[5,6]C[5,6]H){1|Sn<4>,2|C<3>,5|H<1>}	C[3,5,5,6,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]O[5,5]Sn)(C[3x5,6,6]C[4x5]C[5,6]C[6])(C[6]C[6,6a]HH){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6]C[3x5,6]H)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	107.5730	0.000	1	107.5730	0.000	1	107.5730	0.000	1	107.5730	0.000	1	108.0363	0.168	3	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[3x5,6]	C[3,5,5,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[3,5,5,6,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H)	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[4x5]C[5,6]H)(H)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6,6]H)(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H){1|Sn<4>,1|H<1>,2|C<4>}	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[4x5]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6,6]H)(H){1|H<1>,2|O<2>,3|C<4>}	109.1390	0.000	1	109.0163	0.071	3	109.0163	0.071	3	109.5567	1.216	4	107.3795	7.894	8	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[3x5,6]	C[3,5,5,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[3,5,5,6,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H)	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[4x5]C[5,6]H)(H)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6,6]H)(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H){1|Sn<4>,1|H<1>,2|C<4>}	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[4x5]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6,6]H)(H){1|H<1>,2|O<2>,3|C<4>}	108.9550	0.346	2	109.0163	0.071	3	109.0163	0.071	3	109.5567	1.216	4	107.3795	7.894	8	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[3x5,6]	C[3,5,5,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-3:H-1:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[4x5,6]C)(C[3,5,5]C[3,5,5,6]O[5,5]C)(C[3x5,6]C[4x5]C[5,6]H)(H)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5])(H)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){2|C<3>,2|C<4>}	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[4x5,6]C)(C[3,5,5]C[3,5,5,6]O[5,5]C)(C[3x5,6]C[4x5]C[5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,5,6]C[4x5,6]C[5])(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	109.5567	1.216	4	107.3795	7.894	8	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[3x5,6]	C[3,5,5,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:4:3:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C-3:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C)(H)	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[5,5]H)(C[3x5,6]C[4x5]C[5,6]H)(H)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]C[6]H)(CHH)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C)(H){1|C<4>,6|H<1>}	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[5,5]H)(C[3x5,6]C[4x5]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]C[6]H)(CHH){1|Ru<11>,3|H<1>,5|C<4>}	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	107.3795	7.894	8	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[3x5,6]	C[3,5,5,6]	C[5,6]	4:4:3:3:	4:4:4:4:	4:3:4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-3:	C[3,5,5,6]-4:P[3,5,5]-4:C[3x5,6]-4:C-4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(COO)	C[3,5,5,6](C[3,5,5,6]C[3x5,6]P[3,5,5]C)(P[3,5,5]C[3,5,5,6]P[5,5]Mo)(C[3x5,6]C[4x5]C[5,6]C)(CH3)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(COO){1|Mo<6>,4|C<4>}	C[3,5,5,6](C[3,5,5,6]C[3x5,6]P[3,5,5]C)(P[3,5,5]C[3,5,5,6]P[5,5]Mo)(C[3x5,6]C[4x5]C[5,6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|H<1>,1|P<3>,1|P<4>,3|C<4>}	105.4630	0.000	1	105.4630	0.000	1	105.4630	0.000	1	105.4630	0.000	1	107.3795	7.894	8	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[3x5,6]	C[3,5,5,6]	C[5,6]	4:4:3:4:	4:4:4:4:	4:2:1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-4:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6]-4:C-4:	C[3x5,6]-4:O[5,6]-2:O-1:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]O[5,6]O)(CCHH)	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[5,5]H)(C[3x5,6]C[4x5]C[5,6]C)(CH3)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(O[5,6]C[3x5,6])(O)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]O[5,6]O)(CCHH){5|H<1>}	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[5,5]H)(C[3x5,6]C[4x5]C[5,6]C)(CH3){1|O<1>,1|O<2>,4|H<1>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(O[5,6]C[3x5,6])(O){2|H<1>,4|C<4>}	103.1030	0.000	1	103.1030	0.000	1	103.1030	0.000	1	103.1030	0.000	1	107.3795	7.894	8	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[3x5,6]	C[3,5,5,6]	C[5,6]	4:4:3:4:	4:4:4:4:	4:3:4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-4:	C[3,5,5,6]-4:P[3,5,5]-4:C[3x5,6]-4:C-4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(CH3)	C[3,5,5,6](C[3,5,5,6]C[3x5,6]P[3,5,5]C)(P[3,5,5]C[3,5,5,6]P[5,5]Mo)(C[3x5,6]C[4x5]C[5,6]C)(CH3)	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(CH3){1|Mo<6>,1|C<3>,3|C<4>}	C[3,5,5,6](C[3,5,5,6]C[3x5,6]P[3,5,5]C)(P[3,5,5]C[3,5,5,6]P[5,5]Mo)(C[3x5,6]C[4x5]C[5,6]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|C<3>,1|H<1>,1|P<3>,1|P<4>,2|C<4>}	104.1820	0.000	1	104.1820	0.000	1	104.1820	0.000	1	104.1820	0.000	1	107.3795	7.894	8	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[4x5,6]	C[3,5,5,6]	C[5,5,6]	4:4:3:3:	4:4:4:3:	4:3:4:	C[3,5,5,6]-4:C[4x5]-4:C[5,5,6]-3:C[5]-3:	C[3,5,5,6]-4:C[4x5,6]-4:C[3,5,5]-4:C-3:	C[4x5,6]-4:C[5,6]-3:C[5]-4:	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]O[5,5]C)(C[5,5,6]C[5,6]C[5])(C[5]O[5]O)	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[4x5,6]C[5,5,6]C[4x5]C[5])(C[3,5,5]C[3,5,5,6]O[5,5]C)(COO)	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]H)(C[5]O[5]HH)	C[4x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]O[5,5]C)(C[5,5,6]C[5,6]C[5])(C[5]O[5]O){1|C<4>,5|H<1>}	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[4x5,6]C[5,5,6]C[4x5]C[5])(C[3,5,5]C[3,5,5,6]O[5,5]C)(COO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5,6](C[4x5,6]C[3,5,5,6]C[4x5]C[5])(C[5,6]C[3x5,6]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	111.0970	0.000	1	111.0970	0.000	1	111.0970	0.000	1	111.0970	0.000	1	111.0970	0.000	1	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[3,5,6,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:3:4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[3,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-3:Si-4:	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]Si)(H)	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[3,5,6,6]C[6,6]H)(H)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]C[6a])(SiC3)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]Si)(H){2|Si<4>,2|C<3>,2|H<1>}	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[3,5,6,6]C[6,6]H)(H){2|Si<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]C[6a])(SiC3){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	105.8510	0.000	1	105.8510	0.000	1	105.8510	0.000	1	105.8510	0.000	1	103.1900	4.517	4	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[3,5,6,6]	C[5,6]	4:4:3:4:	4:4:4:1:	4:3:4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:C-4:	C[3,5,6,6]-4:C[5,5,6,6]-4:P[3,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3)	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]C)(P[3,6,6]C[3,5,6,6]N[6,6]W)(H)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,1|W<6>,2|C<3>,2|C<4>}	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]C)(P[3,6,6]C[3,5,6,6]N[6,6]W)(H){3|C<3>,5|C<4>}	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|H<1>,1|P<4>,4|C<4>}	101.8920	0.000	1	101.8920	0.000	1	101.8920	0.000	1	101.8920	0.000	1	103.1900	4.517	4	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[3,5,6,6]	C[5,6]	4:4:3:4:	4:4:4:3:	4:3:4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:C-4:	C[3,5,6,6]-4:C[5,5,6,6]-4:P[3,6,6]-4:C[6a]-3:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3)	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]C)(P[3,6,6]C[3,5,6,6]N[6,6]W)(C[6a]C[6a]2)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3){1|N<3>,1|W<6>,2|C<4>,2|H<1>,3|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]C)(P[3,6,6]C[3,5,6,6]N[6,6]W)(C[6a]C[6a]2){2|H<1>,3|C<3>,5|C<4>}	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|P<4>,4|C<4>}	101.1200	0.000	1	101.1200	0.000	1	101.1200	0.000	1	101.1200	0.000	1	103.1900	4.517	4	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[3,5,6,6]	C[5,6]	4:4:3:4:	4:4:4:4:	4:3:3:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:Si-4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[3,6,6]-4:Si-4:	C[5,5,6,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6a])(SiC3)	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]Si)(C[3,6,6]C[3,5,6,6]C[6,6]H)(SiC3)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[5,6]C[5,5,6,6]Si)(C[6a]C[6a]2)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6a])(SiC3){1|Si<4>,3|C<3>,4|H<1>}	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]Si)(C[3,6,6]C[3,5,6,6]C[6,6]H)(SiC3){3|C<3>,3|H<1>}	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[5,6]C[5,5,6,6]Si)(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	103.8970	0.000	1	103.8970	0.000	1	103.8970	0.000	1	103.8970	0.000	1	103.1900	4.517	4	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6,6]	C[3,5,6]	C[5,6,6]	4:4:3:1:	4:4:4:1:	4:4:1:	C[3x5,6]-4:C[3,5,6]-4:C[5,6,6]-3:H-1:	C[5,5,6,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:O-1:	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]C)(C[3,5,6]C[3,5,6]C[3]H)(C[5,6,6]C[5,5,6,6]O)(H)	C[3,5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[3,5,6]C[3x5,6]C[3]H)(C[3]C[3,5,6]HH)(H)	C[5,6,6](C[5,5,6,6]C[3,5,6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(O)	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]C)(C[3,5,6]C[3,5,6]C[3]H)(C[5,6,6]C[5,5,6,6]O)(H){3|C<4>,5|H<1>}	C[3,5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[3,5,6]C[3x5,6]C[3]H)(C[3]C[3,5,6]HH)(H){1|H<1>,1|O<1>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[3,5,6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(O){1|O<2>,2|H<1>,5|C<4>}	97.8823	0.492	2	97.8823	0.242	2	97.8823	0.242	2	97.8823	0.242	2	97.8823	0.242	2	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6]	4:2:3:1:	4:4:4:4:	4:3:1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]H)(C[3]C[3,5,6]CH)(CF3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]H)(C[3]C[3,5,6]CH)(CF3){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){4|C<4>}	106.2135	0.416	2	106.2135	0.173	2	106.2135	0.173	2	106.2135	0.173	2	106.6459	4.708	20	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6]	4:2:3:2:	4:4:4:4:	4:3:1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]O)(C[3]C[3,5,6]CH)(CF3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]O)(C[3]C[3,5,6]CH)(CF3){1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]O)(C[5,6]C[5,5,6]C)(H){1|C<3>,3|C<4>}	106.5245	0.647	2	106.5245	0.419	2	106.5245	0.419	2	106.5245	0.419	2	106.6459	4.708	20	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6]	4:2:3:3:	4:4:4:3:	4:3:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(COO)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CF3)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(COO){1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CF3){1|C<3>,1|O<2>,2|C<4>}	106.5040	0.465	2	106.5040	0.216	2	106.5040	0.216	2	106.5040	0.216	2	106.6459	4.708	20	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6]	4:2:3:4:	4:4:4:3:	4:3:1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(CCO)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(CCO){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,3|C<4>}	105.9325	0.855	2	105.9325	0.731	2	105.5037	0.630	4	105.5037	0.630	4	106.6459	4.708	20	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6]	4:2:3:4:	4:4:4:3:	4:3:1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(CC[6a]O)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(CC[6a]O){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	105.0750	0.651	2	105.0750	0.423	2	105.5037	0.630	4	105.5037	0.630	4	106.6459	4.708	20	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6]	4:2:3:4:	4:4:4:4:	4:3:1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(CF3)	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(CF3){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){4|C<4>}	105.5140	0.772	2	105.5140	0.596	2	105.5140	0.596	2	105.5140	0.596	2	106.6459	4.708	20	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6]	4:4:3:1:	4:4:2:1:	4:3:1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H)	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(N[5,6]C[5,5,6]C)(O)	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H){1|C<3>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(H){1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(N[5,6]C[5,5,6]C)(O){1|C<4>,1|O<2>,4|H<1>}	101.5870	0.000	1	101.5870	0.000	1	101.5870	0.000	1	101.5870	0.000	1	106.6459	4.708	20	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]CH)(H)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,4|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]CH)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	109.6885	0.105	2	109.6885	0.011	2	109.6885	0.011	2	109.6885	0.011	2	106.6459	4.708	20	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]CH)(CCHO)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]CH)(CCHO){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){3|C<4>,3|H<1>}	110.2920	0.000	1	110.2920	0.000	1	110.6945	0.324	2	109.0723	8.056	3	106.6459	4.708	20	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]CH)(CH3)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]CH)(CH3){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){3|C<4>,3|H<1>}	111.0970	0.000	1	111.0970	0.000	1	110.6945	0.324	2	109.0723	8.056	3	106.6459	4.708	20	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]HH)2	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,7|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]HH)2{1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){3|C<4>,3|H<1>}	105.8280	0.000	1	105.8280	0.000	1	105.8280	0.000	1	109.0723	8.056	3	106.6459	4.708	20	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C[5,6]	4:4:3:2:	4:4:4:4:	4:3:1:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:C[5,5,6]-3:H-1:	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(C[3]C[3]Cl2)(C[3]C[3]ClH)	C[5,6](C[5,5,6]C[3,5,6]C[5,5]O)(C[5,5,6]C[3x5,6]C[5,6])(H)	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC){3|Cl<1>,2|C<4>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(C[3]C[3]Cl2)(C[3]C[3]ClH){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[3,5,6]C[5,5]O)(C[5,5,6]C[3x5,6]C[5,6])(H){2|H<1>,7|C<4>}	106.6055	0.172	2	106.6055	0.030	2	106.6055	0.030	2	106.6055	0.030	2	106.6459	4.708	20	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,6,6]	C[3,6,6]	C[5,6]	4:3:4:4:	4:4:4:2:	4:3:3:	C[3,6,6]-4:C[5,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:C[3,6]-4:O[3]-2:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH)	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[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]HH){1|O<1>,4|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[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H){2|O<2>,3|C<4>,5|H<1>}	111.8450	0.000	1	111.8450	0.000	1	111.8450	0.000	1	111.8450	0.000	1	111.8450	0.000	1	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C[5,6]	4:3:4:1:	9:3:4:1:	4:4:1:	C[3,5,6]-4:C[5,6]-3:P-4:H-1:	I[8x3,5]-9:C[3,3,6]-3:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]O)(PC3)(H)	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5])(C[5,6]C[5,6]HP)(H)	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]HP)(O)	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]O)(PC3)(H){1|H<1>,6|C<4>}	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5])(C[5,6]C[5,6]HP)(H){1|O<1>,2|H<1>,5|C<4>}	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]HP)(O){1|C<3>,2|H<1>,5|C<4>}	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,6]	C[3,6]	C[5,6]	4:3:4:1:	4:4:2:4:	4:3:3:	C[3,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5]C[6])(C[5]O[5]CH)(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5]C[6])(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	110.7460	2.273	2	106.6316	11.249	42
474	486	818	6:SP3_SP2_SP3	C[5,6]	C[3,6]	C[5,6]	4:4:3:4:	4:4:2:3:	4:4:3:	C[3,5]-4:C[3,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-3:	C[5,6]-4:P[5]-4:C[6]-3:	C[5,6](C[3,5]C[3,5]O[3]C)(C[3,6]C[3,6]O[3]C)(C[5,6]C[6]P[5])(CH3)	C[3,6](C[5,6]C[3,5]C[5,6]C)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(COO)	C[5,6](C[5,6]C[3,5]C[3,6]C)(P[5]C[3,5]C[6a]W)(C[6]C[6]H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[3,6]C[3,6]O[3]C)(C[5,6]C[6]P[5])(CH3){1|W<6>,2|H<1>,3|C<3>}	C[3,6](C[5,6]C[3,5]C[5,6]C)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(COO){1|C<3>,1|O<1>,1|O<2>,1|P<4>,2|C<4>}	C[5,6](C[5,6]C[3,5]C[3,6]C)(P[5]C[3,5]C[6a]W)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	109.6800	0.000	1	109.6800	0.000	1	109.6800	0.000	1	109.6800	0.000	1	110.7460	2.273	2	106.6316	11.249	42
474	486	830	0:SP3_SP-NON_SP3	C[5]	C[3,5]	F	4:4:1:1:	4:3:4:1:	4:	C[3,5]-4:C[5]-4:F-1:F-1:	C[3]-4:N[3,5]-3:C[5]-4:F-1:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]F)(C[5]C[5]FF)(F)2	C[3,5](C[3]N[3,5]C[6a]C)(N[3,5]C[3]C[5])(C[5]C[5]FF)(F)	F(C[5]C[3,5]C[5]F)	C[5](C[3,5]N[3,5]C[3]F)(C[5]C[5]FF)(F)2{2|C<3>,2|C<4>}	C[3,5](C[3]N[3,5]C[6a]C)(N[3,5]C[3]C[5])(C[5]C[5]FF)(F){1|C<4>,2|F<1>,3|C<3>}	F(C[5]C[3,5]C[5]F)	112.2290	4.172	2	112.2290	17.405	2	112.2290	17.405	2	112.2290	17.405	2	112.1233	8.736	3	112.1233	8.736	3
474	486	830	0:SP3_SP-NON_SP3	C[5]	C[3,5]	F	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:F-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(F)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]FH)(H)	F(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(F)(H){1|N<4>,2|C<3>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]FH)(H){1|C<3>,1|N<4>,2|H<1>}	F(C[5]C[3,5]C[5]H)	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	112.1233	8.736	3	112.1233	8.736	3
474	486	856	0:SP3_SP3_SP3	C[5,6]	C[3,5]	N[6]	4:2:3:4:	4:4:2:1:	4:3:2:	C[3,5]-4:O[5,6]-2:N[6]-3:C-4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]N[6]C)(O[3]C[3,5])(H)	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]N[6]C)(O[3]C[3,5])(H){1|C<3>,1|C<4>,2|O<2>}	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	106.3840	0.000	1	106.3840	0.000	1	106.3840	0.000	1	106.3840	0.000	1	106.3840	0.000	1	106.3840	0.000	1
474	486	856	6:SP3_SP2_SP3	C[5,6]	C[3,5,6]	N[6]	4:3:3:1:	4:4:4:3:	4:4:3:	C[3,5,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H)	N[6](C[5,6]C[3,5,6]C[5,6a]H)(C[6]C[6]HH)(CC[6a]O)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){4|C<3>,6|H<1>}	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[5,6]C[3,5,6]C[5,6a]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,2|C<4>,3|C<3>}	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	109.4050	0.684	2	109.4050	0.684	2
474	486	856	6:SP3_SP2_SP3	C[5,6]	C[3,5,6]	N[6]	4:4:3:1:	3:4:4:4:	4:3:1:	C[3,5,6]-4:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:C[3]-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3]N[5]C)(C[5,6]C[5]N[6]H)(C[3]C[3,5]HH)	N[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3]N[5]C)(C[5,6]C[5]N[6]H)(C[3]C[3,5]HH){1|N<2>,3|C<3>,4|H<1>}	N[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	109.4050	0.684	2	109.4050	0.684	2
474	486	856	6:SP3_SP3_SP3	C[5,6,6]	C[3,5,6]	N[6,6]	4:4:3:4:	4:4:4:3:	4:4:4:	C[3,5,6]-4:C[5,6]-4:N[6,6]-3:C-4:	C[5,6,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(CCHH)	C[3,5,6](C[5,6,6]C[5,6]N[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H)	N[6,6](C[5,6,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)2	C[5,6,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(CCHH){11|H<1>,1|C<3>,1|C<4>,1|O<2>}	C[3,5,6](C[5,6,6]C[5,6]N[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	N[6,6](C[5,6,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)2{1|C<3>,4|C<4>,4|H<1>}	110.1680	0.000	1	110.1680	0.000	1	110.1680	0.000	1	110.1680	0.000	1	110.1680	0.000	1	110.1680	0.000	1
474	486	880	0:SP3_SP3_SP3	C[5,5,6,6]	C[3,5,6,6]	Si	4:4:3:4:	4:4:4:4:	4:4:4:4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:Si-4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[3,6,6]-4:Si-4:	C[5,5,6,6]-4:C-4:C-4:C-4:	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6a])(SiC3)	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]Si)(C[3,6,6]C[3,5,6,6]C[6,6]H)(SiC3)	Si(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(CH3)3	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6a])(SiC3){1|Si<4>,3|C<3>,4|H<1>}	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]Si)(C[3,6,6]C[3,5,6,6]C[6,6]H)(SiC3){3|C<3>,3|H<1>}	Si(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(CH3)3	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1
474	486	891	5:SP3_SP3_SP3	C[5]	C[3,5]	S[5]	4:2:1:1:	4:4:4:1:	4:4:	C[3,5]-4:S[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(S[5]C[5])(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HN)(C[5]S[5]HH)(H)	S[5](C[5]C[3,5]C[5a]H)(C[5]C[3,5]HH)	C[5](C[3,5]C[3,5]C[3]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HN)(C[5]S[5]HH)(H){1|C<3>,1|H<1>}	S[5](C[5]C[3,5]C[5a]H)(C[5]C[3,5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	106.2970	0.000	1	106.2970	0.000	1	106.2970	0.000	1	106.2970	0.000	1	105.9390	0.256	2	105.9390	0.256	2
474	486	891	5:SP3_SP3_SP3	C[5]	C[3,5]	S[5]	4:3:2:1:	4:4:4:4:	4:4:	C[3,5]-4:C[5a]-3:S[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5a]C[5a]O[5a])(S[5]C[5])(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[5a]S[5]H)(C[3]C[3,5]HN)(CHHO)	S[5](C[5]C[3,5]C[5a]H)(C[5]C[3,5]HH)	C[5](C[3,5]C[3,5]C[3]C)(C[5a]C[5a]O[5a])(S[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[5a]S[5]H)(C[3]C[3,5]HN)(CHHO){1|C<3>,1|O<2>,2|H<1>}	S[5](C[5]C[3,5]C[5a]H)(C[5]C[3,5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	105.5810	0.000	1	105.5810	0.000	1	105.5810	0.000	1	105.5810	0.000	1	105.9390	0.256	2	105.9390	0.256	2
474	486	892	0:SP3_SP3_SP3	C[5,5]	C[3,5,5]	N	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[3,5,5]-4:C[3x5]-4:N-4:C-3:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(NH3)(COO)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]CN)(H)	N(C[5,5]C[3,5,5]C[3x5]C)(H)3	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(NH3)(COO){1|C<3>,5|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]CN)(H){1|C<3>,4|H<1>}	N(C[5,5]C[3,5,5]C[3x5]C)(H)3	112.8100	0.000	1	112.8100	0.000	1	112.8100	0.000	1	112.8100	0.000	1	112.8100	0.000	1	112.8350	3.809	3
474	486	892	0:SP3_SP3_SP3	C[5]	C[3,5]	N	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[3,5]-4:C[5]-4:N-4:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(NH3)(H)	C[3,5](C[3]C[3]HH)2(C[5]C[5]HN)(C[5]N[5]HH)	N(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(NH3)(H){1|C<3>,6|H<1>}	C[3,5](C[3]C[3]HH)2(C[5]C[5]HN)(C[5]N[5]HH){1|C<3>,2|H<1>}	N(C[5]C[3,5]C[5]H)(H)3	114.7990	0.000	1	114.7990	0.000	1	114.7990	0.000	1	114.7990	0.000	1	112.8475	7.617	2	112.8350	3.809	3
474	486	892	0:SP3_SP3_SP3	C[5]	C[3,5]	N	4:4:4:3:	4:4:4:1:	4:1:1:1:	C[3,5]-4:C[5]-4:N-4:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NH3)(COO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]CN)(H)	N(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NH3)(COO){1|C<3>,1|F<1>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]CN)(H){1|F<1>,3|H<1>}	N(C[5]C[3,5]C[5]C)(H)3	110.8960	0.000	1	110.8960	0.000	1	110.8960	0.000	1	110.8960	0.000	1	112.8475	7.617	2	112.8350	3.809	3
474	486	893	0:SP3_SP2_SP3	C[5,5]	C[3,5]	O	4:3:3:2:	4:4:3:1:	4:3:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[5,5]-4:C-3:	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	O(C[5,5]C[3,5]N[5,5]C[5])(CHH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){2|H<1>,3|C<3>}	O(C[5,5]C[3,5]N[5,5]C[5])(CHH)	103.7080	0.000	1	103.7080	0.000	1	103.7080	0.000	1	103.7080	0.000	1	103.7080	0.000	1	109.1274	11.455	19
474	486	893	0:SP3_SP2_SP3	C[5]	C[3,5]	O	4:3:2:1:	4:4:4:1:	4:3:	C[3,5]-4:C[5]-3:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(OC)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HO)(H)	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HO)(H){1|C<4>,1|H<1>}	O(C[5]C[3,5]C[5]H)(CCO)	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	109.7208	9.315	17	109.1274	11.455	19
474	486	893	0:SP3_SP2_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(OC)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HO)(O[3]C[3,5])(H)	O(C[5]C[3,5]C[5]H)(CC[6a]O)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(OC)(H){1|N<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HO)(O[3]C[3,5])(H){1|N<3>,3|H<1>}	O(C[5]C[3,5]C[5]H)(CC[6a]O)	104.0950	0.000	1	104.0950	0.000	1	104.0950	0.000	1	105.6340	4.737	2	109.7208	9.315	17	109.1274	11.455	19
474	486	893	0:SP3_SP2_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:2:1:	4:3:	C[5,6]-4:C[3,5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6,6]O)(C[3,5]C[3,5]O[3]H)(OC)(H)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H)	O(C[5]C[3,5]C[5,6]H)(CCO)	C[5](C[5,6]C[5,6]C[6,6]O)(C[3,5]C[3,5]O[3]H)(OC)(H){1|H<1>,5|C<4>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	O(C[5]C[3,5]C[5,6]H)(CCO)	107.1730	0.000	1	107.1730	0.000	1	107.1730	0.000	1	105.6340	4.737	2	109.7208	9.315	17	109.1274	11.455	19
474	486	893	0:SP3_SP2_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3,5]-4:C[5,6]-4:O-2:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	C[3,5](C[3,5,6]C[5,6,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5,6]HO)(H)	O(C[5]C[3,5]C[5,6]H)(CCO)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[3,5](C[3,5,6]C[5,6,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5,6]HO)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[5]C[3,5]C[5,6]H)(CCO)	115.5950	0.000	1	115.5950	0.000	1	115.5950	0.000	1	109.9989	8.289	13	109.7208	9.315	17	109.1274	11.455	19
474	486	893	0:SP3_SP2_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]HO)(H)	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]HO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[3,5]C[5]H)(CCO)	107.4020	0.000	1	107.4020	0.000	1	109.5326	5.958	12	109.9989	8.289	13	109.7208	9.315	17	109.1274	11.455	19
474	486	893	0:SP3_SP2_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]HO)(H)	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]HO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	107.9850	0.000	1	107.9850	0.000	1	109.5326	5.958	12	109.9989	8.289	13	109.7208	9.315	17	109.1274	11.455	19
474	486	893	0:SP3_SP2_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]HO)(H)	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]HO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[3,5]C[5]H)(CCO)	110.9740	1.818	4	110.9740	3.303	4	109.5326	5.958	12	109.9989	8.289	13	109.7208	9.315	17	109.1274	11.455	19
474	486	893	0:SP3_SP2_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]HO)(H)	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]HO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	110.6308	2.190	4	110.6308	4.795	4	109.5326	5.958	12	109.9989	8.289	13	109.7208	9.315	17	109.1274	11.455	19
474	486	893	0:SP3_SP2_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H)	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[3,5]C[5]H)(CCO)	105.9920	0.000	1	105.9920	0.000	1	109.5326	5.958	12	109.9989	8.289	13	109.7208	9.315	17	109.1274	11.455	19
474	486	893	0:SP3_SP2_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H)	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[3,5]C[5]H)(CC[5,5,6]O)	106.5930	0.000	1	106.5930	0.000	1	109.5326	5.958	12	109.9989	8.289	13	109.7208	9.315	17	109.1274	11.455	19
474	486	893	0:SP3_SP2_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:3:	4:3:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:C-3:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(OC)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(CHN)	O(C[5]C[3,5]C[5]H)(CCO)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(OC)(H){1|N<2>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(CHN){1|N<2>,1|O<2>,2|H<1>}	O(C[5]C[3,5]C[5]H)(CCO)	111.8520	0.000	1	111.8520	0.000	1	111.8520	0.000	1	111.8520	0.000	1	109.7208	9.315	17	109.1274	11.455	19
474	486	893	0:SP3_SP2_SP3	C[5]	C[3]	O	4:4:4:2:	4:4:2:1:	4:3:	C[5,6]-4:C[3]-4:C[5]-4:O-2:	C[5]-4:C[3]-4:S[3]-2:H-1:	C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]S[3]H)(C[5]C[5]HH)(OC)	C[3](C[5]C[5,6]C[5]O)(C[3]S[3]HH)(S[3]C[3])(H)	O(C[5]C[5,6]C[3]C[5])(CNO)	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]S[3]H)(C[5]C[5]HH)(OC){2|C<4>,7|H<1>}	C[3](C[5]C[5,6]C[5]O)(C[3]S[3]HH)(S[3]C[3])(H){2|H<1>,4|C<4>}	O(C[5]C[5,6]C[3]C[5])(CNO)	104.4590	0.000	1	104.4590	0.000	1	104.4590	0.000	1	104.4590	0.000	1	104.4590	0.000	1	109.1274	11.455	19
474	486	893	0:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O	4:2:3:2:	4:4:4:4:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:O-2:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:C-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]O)(C[3]C[3,5,6]CH)(CF3)	O(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(CH3)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]O)(C[3]C[3,5,6]CH)(CF3){1|H<1>,2|C<3>}	O(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(CH3)	112.9355	0.466	2	112.9355	0.217	2	112.9355	0.217	2	112.9355	0.217	2	112.2880	0.640	4	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	O	4:4:3:2:	4:4:4:4:	4:4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:O-2:	C[5,5,6]-4:C[5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:C-4:	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(C[3]C[3]Cl2)(C[3]C[3]ClH)	O(C[5,5,6]C[3,5,6]C[5,5]C[5,6])(CH3)	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]H)(OC){3|Cl<1>,2|C<4>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(C[3]C[3]Cl2)(C[3]C[3]ClH){1|C<3>,1|C<4>,3|H<1>}	O(C[5,5,6]C[3,5,6]C[5,5]C[5,6])(CH3)	111.6405	0.162	2	111.6405	0.026	2	111.6405	0.026	2	111.6405	0.026	2	112.2880	0.640	4	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,5]	C[3,5,5]	O	3:4:3:2:	4:4:4:3:	4:4:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:O-2:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[5,5]-4:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(OC)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]O)(C[3,5]C[3,5]C[5]C)(COO)	O(C[5,5]C[3,5,5]C[5,6a]C[5])(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(OC){3|C<3>,3|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]O)(C[3,5]C[3,5]C[5]C)(COO){2|C<3>,2|H<1>}	O(C[5,5]C[3,5,5]C[5,6a]C[5])(CH3)	116.8660	0.000	1	116.8660	0.000	1	116.8660	0.000	1	116.8660	0.000	1	116.2150	0.848	2	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,5]	C[3,5,5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3,5,5]-4:C[3x5]-4:O-2:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(OH)(H)	C[3,5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]C[5,5])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]HO)(H)	O(C[5,5]C[3,5,5]C[3x5]H)(H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(OH)(H){1|B<6>,1|C<3>,4|H<1>}	C[3,5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]C[5,5])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]HO)(H){1|C<3>,2|C<6>,3|B<6>,4|H<1>}	O(C[5,5]C[3,5,5]C[3x5]H)(H)	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	116.2150	0.848	2	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,5]	C[3,5]	O	4:3:3:2:	4:4:3:1:	4:1:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	O(C[5,5]C[3,5]N[5,5]C[5])(H)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){1|O<1>,2|C<3>,2|H<1>}	O(C[5,5]C[3,5]N[5,5]C[5])(H)	105.8718	1.306	4	105.8718	1.706	4	105.8718	1.706	4	105.8718	1.706	4	105.6376	1.554	5	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,5]	C[3,5]	O	4:3:4:2:	4:4:3:1:	4:1:	C[3,5]-4:N[5,5]-3:C[5]-4:O-2:	C[5,5]-4:C[3,5]-4:N[3]-3:H-1:	C[5,5]-4:H-1:	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(OH)	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H)	O(C[5,5]C[3,5]N[5,5]C[5])(H)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(OH){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[5,5]N[5,5]C[5]O)(C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[5,5]C[3,5]N[5,5]C[5])(H)	104.7010	0.000	1	104.7010	0.000	1	104.7010	0.000	1	104.7010	0.000	1	105.6376	1.554	5	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6,6]	C[3,5,6,6]	O	4:3:3:2:	4:4:3:2:	4:2:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O[3]-2:	C[5,6,6]-4:O-2:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO)	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(O[3]C[3,5,6,6])	O(C[5,6,6]C[3,5,6,6]C[5,6,6a]2)(OC)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO){3|C<4>,5|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(O[3]C[3,5,6,6]){2|C<4>,3|O<2>,6|C<3>}	O(C[5,6,6]C[3,5,6,6]C[5,6,6a]2)(OC)	112.3710	0.000	1	112.3710	0.000	1	112.3710	0.000	1	112.3710	0.000	1	109.3398	19.165	5	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6,6]	C[3,5,6,6]	O	4:3:3:2:	4:4:4:2:	4:2:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:O[3]-2:	C[5,6,6]-4:O-2:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO)	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6])	O(C[5,6,6]C[3,5,6,6]C[5,6,6a]2)(OC)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO){1|O<2>,2|C<4>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6]){2|C<4>,2|O<2>,6|C<3>}	O(C[5,6,6]C[3,5,6,6]C[5,6,6a]2)(OC)	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	109.3398	19.165	5	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6,6]	C[3,5,6,6]	O	4:4:3:2:	4:3:4:2:	4:4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[5,6,6a]-3:O-2:	C[5,6,6]-4:C[5,6,6a]-3:C[3,3x6]-4:O[3]-2:	C[5,6,6]-4:C-4:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,5,6,6]C[5,6,6a]C[3,3x6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(OC)	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6])	O(C[5,6,6]C[3,5,6,6]2C[5,6,6a])(CC3)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,5,6,6]C[5,6,6a]C[3,3x6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(OC){2|C<4>,6|C<3>}	C[3,5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[3,3x6]C[3x6]C[6,6]O[3])(O[3]C[3,3x6]){1|N<4>,2|C<4>,3|O<2>,5|C<3>}	O(C[5,6,6]C[3,5,6,6]2C[5,6,6a])(CC3)	114.9040	0.000	1	114.9040	0.000	1	114.9040	0.000	1	114.9040	0.000	1	109.3398	19.165	5	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6,6]	C[3,5,6,6]	O	4:4:3:2:	4:4:3:2:	4:4:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[5,6,6a]-3:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6a]-3:O[3]-2:	C[5,6,6]-4:C-4:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,5,6,6]C[5,6,6a]C[3,3x6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(OC)	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6])	O(C[5,6,6]C[3,5,6,6]2C[5,6,6a])(CC3)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]O[3])(C[3,5,6,6]C[5,6,6a]C[3,3x6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(OC){2|C<4>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6a]C[3x6]O[3])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(O[3]C[3,5,6,6]){1|C<4>,1|N<4>,1|O<2>,7|C<3>}	O(C[5,6,6]C[3,5,6,6]2C[5,6,6a])(CC3)	103.9310	0.000	1	103.9310	0.000	1	103.9310	0.000	1	103.9310	0.000	1	109.3398	19.165	5	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6,6]	C[3,5,6,6]	O	4:4:3:2:	4:4:4:2:	4:2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:O-2:	C[3,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:O[3]-2:	C[5,6,6]-4:O-2:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO)	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6])	O(C[5,6,6]C[3,5,6,6]C[5,6,6]2)(OC)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2)(OO){2|C<4>,2|O<2>,6|C<3>}	C[3,5,6,6](C[3,5,6,6]C[5,6,6]2O[3])(C[5,6,6]C[5,6,6a]2O)(C[5,6,6]C[5,6,6]2O)(O[3]C[3,5,6,6]){2|C<4>,2|O<2>,6|C<3>}	O(C[5,6,6]C[3,5,6,6]C[5,6,6]2)(OC)	108.7900	0.000	1	108.7900	0.000	1	108.7900	0.000	1	108.7900	0.000	1	109.3398	19.165	5	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	O	4:4:2:2:	4:4:2:3:	4:1:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[3,6]-4:C[5,6]-4:O[3]-2:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6,6]HO)(O[5]C[5])(OH)	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C)	O(C[5,6]C[3,5,6]C[6]O[5])(H)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|C<4>,4|H<1>}	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[6]O[5]O)(O[3]C[3,6])(C[5]C[5]C){1|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[3,5,6]C[6]O[5])(H)	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	111.0690	19.256	7	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	O	4:4:2:2:	4:4:4:2:	4:4:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[5,6]-4:C-4:	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC)	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(O[3]C[3,5])	O(C[5,6]C[3,5,6]C[6]O[5])(CH3)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6]C[5,6]HH)(O[5]C[5])(OC){2|H<1>,2|O<2>,4|C<4>}	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[6]O[5]O)(C[6]C[5,6]HO)(O[3]C[3,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5,6]C[3,5,6]C[6]O[5])(CH3)	117.1470	0.000	1	117.1470	0.000	1	117.1470	0.000	1	117.1470	0.000	1	111.0690	19.256	7	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	O	4:4:3:2:	4:4:3:2:	4:1:	C[3,5,6]-4:C[5,5,6]-4:C[6,6a]-3:O-2:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[5,6]-4:H-1:	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OH)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O(C[5,6]C[3,5,6]C[5,5,6]C[6,6a])(H)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,1|O<2>,7|C<3>}	O(C[5,6]C[3,5,6]C[5,5,6]C[6,6a])(H)	115.7090	0.000	1	115.7090	0.000	1	115.7090	0.000	1	115.7090	0.000	1	111.0690	19.256	7	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	O	4:4:3:2:	4:4:4:2:	4:1:	C[3,5,6]-4:C[6]-4:N[5]-3:O-2:	C[3,5]-4:C[3,6]-4:C[5,6]-4:O-2:	C[5,6]-4:H-1:	C[5,6](C[3,5,6]C[3,5]C[3,6]O)(C[6]C[6]HH)(N[5]C[5]C)(OH)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]O)(OC)	O(C[5,6]C[3,5,6]C[6]N[5])(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]O)(C[6]C[6]HH)(N[5]C[5]C)(OH){1|C<3>,1|C<4>,1|O<1>,3|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[5,6]C[6]N[5]O)(OC){1|O<1>,3|C<4>,3|H<1>}	O(C[5,6]C[3,5,6]C[6]N[5])(H)	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	111.0690	19.256	7	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[3,5,6]-4:C[5]-4:C[6]-4:O-2:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[5,6]-4:H-1:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[3,5,6](C[3,6]C[6]O[3]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(O[3]C[3,6])	O(C[5,6]C[3,5,6]C[5]C[6])(H)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,6|H<1>}	C[3,5,6](C[3,6]C[6]O[3]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(O[3]C[3,6]){1|O<2>,2|C<4>,6|H<1>}	O(C[5,6]C[3,5,6]C[5]C[6])(H)	108.8730	0.535	2	108.8730	0.286	2	108.8730	0.286	2	108.8730	0.286	2	111.0690	19.256	7	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	O	4:4:4:2:	4:4:4:3:	4:1:	C[3,5,6]-4:C[5,6]-4:C[5]-4:O-2:	C[3,5,6]-4:C[5,6]-4:C[3]-4:C[5]-3:	C[5,6]-4:H-1:	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(OH)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5]O)(C[3]C[3,5,6]HH)(C[5]O[5]O)	O(C[5,6]C[3,5,6]C[5,6]C[5])(H)	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(OH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[5,6]C[5,6]C[5]O)(C[3]C[3,5,6]HH)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[5,6]C[3,5,6]C[5,6]C[5])(H)	105.2380	0.000	1	105.2380	0.000	1	105.2380	0.000	1	105.2380	0.000	1	111.0690	19.256	7	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6]	C[3,5]	O	3:4:4:2:	4:4:4:1:	4:1:	C[5,6,6]-3:C[3,5]-4:C[6]-4:O-2:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH)	C[3,5](C[5,6]C[5,6,6]C[6]O)(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H)	O(C[5,6]C[5,6,6]C[3,5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,4|C<4>,4|H<1>}	C[3,5](C[5,6]C[5,6,6]C[6]O)(C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6,6]C[3,5]C[6])(H)	113.4260	0.000	1	113.4260	0.000	1	113.4260	0.000	1	113.4260	0.000	1	111.3765	7.162	11	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6]	C[3,5]	O	4:2:4:2:	4:4:2:1:	4:1:	C[3,5]-4:O[5,6]-2:C[6]-4:O-2:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]C[6]CC)(OH)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]O)(O[3]C[3,5])(H)	O(C[5,6]C[3,5]O[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]C[6]CC)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]O)(O[3]C[3,5])(H){1|C<3>,1|N<3>,3|C<4>}	O(C[5,6]C[3,5]O[5,6]C[6])(H)	116.7370	0.000	1	116.7370	0.000	1	116.7370	0.000	1	116.7370	0.000	1	111.3765	7.162	11	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6]	C[3,5]	O	4:4:3:2:	4:4:2:1:	4:1:	C[3,5]-4:C[5,6]-4:C[6]-3:O-2:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(C[5,6]C[5,6]C[6]O)(O[3]C[3,5,6])(H)	O(C[5,6]C[3,5]C[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH){3|H<1>,4|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(C[5,6]C[5,6]C[6]O)(O[3]C[3,5,6])(H){1|C<3>,1|H<1>,7|C<4>}	O(C[5,6]C[3,5]C[5,6]C[6])(H)	109.9790	0.000	1	109.9790	0.000	1	109.9790	0.000	1	109.9790	0.000	1	111.3765	7.162	11	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6]	C[3,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H)	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[5,6]C[3,5]C[5,6]2)(H)	106.7800	0.000	1	106.7800	0.000	1	110.0863	2.661	7	110.0863	2.661	7	111.3765	7.162	11	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6]	C[3,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H)	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[5,6]C[3,5]C[5,6]2)(H)	110.7238	0.864	5	110.6373	0.643	6	110.0863	2.661	7	110.0863	2.661	7	111.3765	7.162	11	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6]	C[3,5]	O	4:4:4:2:	4:4:2:1:	4:1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H)	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[3,5](C[3,5]C[5,5]O[3]H)(C[5,6]C[5,6]2O)(O[3]C[3,5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[5,6]C[3,5]C[5,6]2)(H)	110.2050	0.000	1	110.6373	0.643	6	110.0863	2.661	7	110.0863	2.661	7	111.3765	7.162	11	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6]	C[3,5]	O	4:4:4:2:	4:4:2:4:	4:1:	C[3,5]-4:C[5,6]-4:C[6]-4:O-2:	C[3,5]-4:C[5,6]-4:O[3]-2:C-4:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(OH)	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]O)(O[3]C[3,5])(CH3)	O(C[5,6]C[3,5]C[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(OH){2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]O)(O[3]C[3,5])(CH3){1|C<3>,2|C<4>,4|H<1>}	O(C[5,6]C[3,5]C[5,6]C[6])(H)	114.3960	0.000	1	114.3960	0.000	1	114.3960	0.000	1	114.3960	0.000	1	111.3765	7.162	11	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5,6]	C[3,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3,6]-4:C[5,6]-4:C[5]-4:O-2:	C[3,5,6]-4:C[5,6]-4:C[3]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[3,6]C[3,5,6]C[3]H)(C[5,6]C[6,6a]O[5]O)(C[5]C[5]CC)(OH)	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[5,6]C[5,6]C[5]O)(C[3]C[3,5,6]CC)(H)	O(C[5,6]C[3,6]C[5,6]C[5])(H)	C[5,6](C[3,6]C[3,5,6]C[3]H)(C[5,6]C[6,6a]O[5]O)(C[5]C[5]CC)(OH){2|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[5,6]C[5,6]C[5]O)(C[3]C[3,5,6]CC)(H){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	O(C[5,6]C[3,6]C[5,6]C[5])(H)	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5,5]	O	4:3:2:1:	4:4:4:4:	4:4:	C[3,5,5]-4:C[5]-3:O-2:H-1:	C[3,5]-4:C[3]-4:C[5,5]-4:C[5]-4:	C[5]-4:C-4:	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5]C[5]C)(OC)(H)	C[3,5,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5,5]C[5]2H)(C[5]C[5]HO)	O(C[5]C[3,5,5]C[5]H)(CH3)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5]C[5]C)(OC)(H){4|C<4>,4|H<1>}	C[3,5,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5,5]C[5]2H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	O(C[5]C[3,5,5]C[5]H)(CH3)	106.8820	0.000	1	106.8820	0.000	1	106.8820	0.000	1	106.8820	0.000	1	106.8820	0.000	1	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5,6]	O	4:4:2:1:	4:2:4:4:	4:1:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(OH)(H)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH)	O(C[5]C[3,5,6]C[5]H)(H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,7|H<1>}	O(C[5]C[3,5,6]C[5]H)(H)	113.5660	0.000	1	113.5660	0.000	1	113.5660	0.000	1	113.5660	0.000	1	112.8313	2.154	6	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5,6]	O	4:4:2:1:	4:4:4:3:	4:4:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-3:	C[5]-4:C-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(OC)(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]HO)(C[6]C[6]H)	O(C[5]C[3,5,6]C[5]H)(CH3)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(OC)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O(C[5]C[3,5,6]C[5]H)(CH3)	115.1420	0.000	1	115.1420	0.000	1	115.1420	0.000	1	115.1420	0.000	1	112.8313	2.154	6	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6,6]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[5]-4:H-1:	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]HH)(OH)(H)	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)	O(C[5]C[3,5,6]C[5]H)(H)	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	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>}	O(C[5]C[3,5,6]C[5]H)(H)	110.7310	0.000	1	110.7310	0.000	1	110.7310	0.000	1	112.0287	1.275	3	112.8313	2.154	6	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[3,5,6]C[3,6]2C[5,6])(C[5]C[5]HH)(OH)(H)	C[3,5,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]O[6]2)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)	O(C[5]C[3,5,6]C[5]H)(H)	C[5](C[3,5,6]C[3,6]2C[5,6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[3,5,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]O[6]2)(C[5,6]C[5]C[6]H)(C[5]C[5]HO){1|C<2>,1|C<3>,2|C<4>,6|H<1>}	O(C[5]C[3,5,6]C[5]H)(H)	112.6775	0.155	2	112.6775	0.024	2	112.6775	0.024	2	112.0287	1.275	3	112.8313	2.154	6	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5,6]	O	4:4:4:2:	4:4:4:2:	4:1:	C[3,5,6]-4:C[5]-4:C-4:O-2:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[5]-4:H-1:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CH3)(OH)	C[3,5,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5]CO)(O[3]C[3,6])	O(C[5]C[3,5,6]C[5]C)(H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CH3)(OH){2|C<4>,4|H<1>}	C[3,5,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5]CO)(O[3]C[3,6]){1|O<2>,4|C<4>,4|H<1>}	O(C[5]C[3,5,6]C[5]C)(H)	112.1940	0.000	1	112.1940	0.000	1	112.1940	0.000	1	112.1940	0.000	1	112.8313	2.154	6	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	3:3:4:2:	4:4:4:1:	4:1:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(H)	O(C[5]C[5,6a]C[3,5]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH){1|Si<4>,4|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(H){4|C<3>}	O(C[5]C[5,6a]C[3,5]C[6a])(H)	109.2190	0.000	1	109.2190	0.000	1	109.2190	0.000	1	109.2190	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	3:3:4:2:	4:4:4:4:	4:1:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(CH3)	O(C[5]C[5,6a]C[3,5]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH){1|Si<4>,1|O<2>,3|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]O)(C[3]C[3,5]SiH)(CH3){4|C<3>}	O(C[5]C[5,6a]C[3,5]C[6a])(H)	113.3280	0.000	1	113.3280	0.000	1	113.3280	0.000	1	113.3280	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:2:2:1:	4:2:4:4:	4:4:	C[3,5]-4:O[5]-2:O-2:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]C)(O[5]C[5,6])(OC[5,6])(H)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3)	O(C[5,6]C[5,6]C[6]O[5])(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5,6]O[3]C)(O[5]C[5,6])(OC[5,6])(H){1|O<2>,2|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3){1|H<1>,2|C<4>,2|O<2>}	O(C[5,6]C[5,6]C[6]O[5])(C[5]C[3,5]O[5]H)	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:2:2:1:	4:3:4:1:	4:1:	C[3,5]-4:O[5]-2:O-2:H-1:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H)	O(C[5]C[3,5]O[5]H)(H)	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[3,5]O[5]H)(H)	113.4920	0.000	1	113.4920	0.000	1	113.4920	0.000	1	113.4920	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:2:2:1:	4:4:4:1:	4:1:	C[3,5]-4:O[5]-2:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(OH)(H)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]O[5]HO)(H)	O(C[5]C[3,5]O[5]H)(H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]O[5]HO)(H){2|C<3>,2|H<1>}	O(C[5]C[3,5]O[5]H)(H)	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:2:4:2:	4:4:2:3:	4:2:	C[3,5]-4:O[5]-2:C-4:O-2:	C[3,5]-4:C[5]-4:O[3]-2:C-3:	C[5]-4:O-2:	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(CCCH)(OO)	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]O[5]CO)(O[3]C[3,5])(CNO)	O(C[5]C[3,5]O[5]C)(OH)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(CCCH)(OO){1|O<2>,2|C<3>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]O[5]CO)(O[3]C[3,5])(CNO){1|O<2>,3|C<3>}	O(C[5]C[3,5]O[5]C)(OH)	112.9910	0.000	1	112.9910	0.000	1	112.9910	0.000	1	112.9910	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:3:2:2:	4:4:3:2:	4:1:	C[3,5]-4:C[6a]-3:O[5]-2:O-2:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5])	O(C[5]C[3,5]C[6a]O[5])(H)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]O)(C[6a]C[6a]2)(O[3]C[3,5]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[5]C[3,5]C[6a]O[5])(H)	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:3:3:2:	4:4:4:4:	4:1:	C[3,5]-4:C[6a]-3:C[5]-3:O-2:	C[4,5]-4:C[5]-4:C[3]-4:C[3]-4:	C[5]-4:H-1:	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	C[3,5](C[4,5]C[4]2O[5])(C[5]C[6a]C[5]O)(C[3]C[3]HH)2	O(C[5]C[3,5]C[6a]C[5])(H)	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[3,5](C[4,5]C[4]2O[5])(C[5]C[6a]C[5]O)(C[3]C[3]HH)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[3,5]C[6a]C[5])(H)	115.2650	0.000	1	115.2650	0.000	1	115.2650	0.000	1	115.2650	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:3:4:2:	4:4:4:1:	4:1:	C[3,5]-4:C[5,6]-3:C-4:O-2:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]CO)(H)	O(C[5]C[3,5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]CO)(H){1|C<2>,2|C<4>}	O(C[5]C[3,5]C[5,6]C)(H)	111.9840	0.000	1	110.8965	2.365	2	110.8965	2.365	2	110.8965	2.365	2	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:3:4:2:	4:4:4:1:	4:1:	C[3,5]-4:C[5,6]-3:C-4:O-2:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]CO)(H)	O(C[5]C[3,5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){3|C<4>,4|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]CO)(H){1|C<3>,2|C<4>}	O(C[5]C[3,5]C[5,6]C)(H)	109.8090	0.000	1	110.8965	2.365	2	110.8965	2.365	2	110.8965	2.365	2	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:3:4:2:	4:4:4:2:	4:1:	C[3,5]-4:C[6a]-3:C[5]-4:O-2:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:H-1:	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3])	O(C[5]C[3,5]C[6a]C[5])(H)	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|C<4>,3|C<3>,4|H<1>}	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3]){2|H<1>,4|C<3>}	O(C[5]C[3,5]C[6a]C[5])(H)	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:2:1:	3:4:4:4:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-4:	C[5]-4:H-1:	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C[6a]H)(OH)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]C[5]HO)	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C[6a]H)(OH)(H){4|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]C[5]HO){2|H<1>,3|C<3>}	O(C[5]C[3,5]C[5]H)(H)	111.4010	0.585	2	111.4010	0.343	2	111.4010	0.343	2	111.4010	0.343	2	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:2:4:1:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(OH)(H)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(H)	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(OH)(H){2|C<3>,3|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[5]C[3,5]C[5]H)(H)	113.9540	0.000	1	113.9540	0.000	1	113.9540	0.000	1	113.9540	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[5,6]-4:C[3,5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(OH)(H)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H)	O(C[5]C[3,5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	O(C[5]C[3,5]C[5,6]H)(H)	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:2:4:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(OH)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HO)(O[3]C[3,5])(CCCH)	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HO)(O[3]C[3,5])(CCCH){1|C<4>,3|H<1>}	O(C[5]C[3,5]C[5]H)(H)	108.1675	1.053	2	108.1675	1.109	2	108.1675	1.109	2	108.1675	1.109	2	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(OH)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H)	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(OH)(H){1|N<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H){1|N<3>,3|H<1>}	O(C[5]C[3,5]C[5]H)(H)	110.1650	0.000	1	110.1650	0.000	1	108.1815	7.869	2	108.1815	7.869	2	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:1:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(OH)(H)	C[3,5](C[3,5]C[3]O[5]C)(C[3]C[3,5]FF)(C[5]C[5]HO)(H)	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(OH)(H){1|C<4>,2|C<3>,2|F<1>}	C[3,5](C[3,5]C[3]O[5]C)(C[3]C[3,5]FF)(C[5]C[5]HO)(H){1|H<1>,1|N<3>}	O(C[5]C[3,5]C[5]H)(H)	106.1980	0.000	1	106.1980	0.000	1	108.1815	7.869	2	108.1815	7.869	2	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:H-1:	C[5]-4:Si-4:	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(OSi)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HO)(H)	O(C[5]C[3,5]C[5]H)(SiC3)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HO)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[5]C[3,5]C[5]H)(SiC3)	109.2280	0.000	1	109.2280	0.000	1	109.2280	0.000	1	107.8230	3.948	2	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:1:	4:4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:S-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OS)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H)	O(C[5]C[3,5]C[5]H)(SCOO)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OS)(H){1|O<1>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>}	O(C[5]C[3,5]C[5]H)(SCOO)	106.4180	0.000	1	106.4180	0.000	1	106.4180	0.000	1	107.8230	3.948	2	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[5]-4:H-1:	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(OH)(H)	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5])	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(OH)(H){1|N<3>,2|F<1>,3|H<1>}	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5]){1|N<3>,3|H<1>}	O(C[5]C[3,5]C[5]H)(H)	111.0680	0.197	2	111.0680	0.039	2	111.6243	0.948	3	111.6243	0.948	3	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[5]-4:H-1:	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HO)(OH)(H)	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5])	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HO)(OH)(H){1|N<3>,2|F<1>,3|H<1>}	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5]){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[3,5]C[5]H)(H)	112.7370	0.000	1	112.7370	0.000	1	111.6243	0.948	3	111.6243	0.948	3	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:3:	4:1:	C[3,5]-4:C[5,5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]C)(C[5,5]C[5,5]O[5]H)(OH)(H)	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,5]HO)(COO)	O(C[5]C[3,5]C[5,5]H)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5,5]C[5,5]O[5]H)(OH)(H){1|C<4>,1|O<2>,4|H<1>}	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,5]HO)(COO){2|H<1>,2|O<2>}	O(C[5]C[3,5]C[5,5]H)(H)	115.7780	0.000	1	115.7780	0.000	1	115.7780	0.000	1	115.7780	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:2:1:	4:4:4:4:	4:1:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5]HO)(CH3)	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5]HO)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[5]C[3,5]C[5]H)(H)	115.1045	0.276	2	115.1045	0.076	2	115.1045	0.076	2	115.1045	0.076	2	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:2:2:	4:4:4:4:	4:1:	C[3,5]-4:C[5]-4:C-2:O-2:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(CC)(OH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]CO)(CHHO)	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(CC)(OH){1|N<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]CO)(CHHO){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[3,5]C[5]C)(H)	112.8870	0.450	2	112.8870	0.202	2	112.8870	0.202	2	112.8870	0.202	2	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:3:2:	4:4:4:4:	4:1:	C[3,5]-4:C-4:C[5]-3:O-2:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CO)(CH3)	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CO)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[5]C[3,5]C[5]C)(H)	108.8155	0.562	2	108.8155	0.316	2	108.8155	0.316	2	108.8155	0.316	2	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:4:2:	4:4:2:3:	4:1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[3,5]-4:C[5]-4:O[3]-2:C[5]-3:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(OH)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])(C[5]C[5]2)	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(OH){1|C<3>,1|H<1>,3|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])(C[5]C[5]2){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[5]C[3,5]C[5]C)(H)	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:4:2:	4:4:2:4:	4:1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(OH)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CO)(O[3]C[3,5])(CCHH)	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(OH){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CO)(O[3]C[3,5])(CCHH){4|H<1>}	O(C[5]C[3,5]C[5]C)(H)	106.6240	0.000	1	106.6240	0.000	1	106.6240	0.000	1	106.6240	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[3,5,6]-4:C[3,6]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)(OH)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]CO)(H)	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)(OH){2|C<4>,3|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]CO)(H){4|C<4>,6|H<1>}	O(C[5]C[3,5]C[5]C)(H)	110.7927	2.121	4	110.7927	4.499	4	110.7927	4.499	4	111.5960	6.600	5	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[3,5]-4:N[5]-4:C-4:O-2:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(CF3)(OH)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]CO)(H)	O(C[5]C[3,5]N[5]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(CF3)(OH){1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]CO)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[5]C[3,5]N[5]C)(H)	114.8090	0.000	1	114.8090	0.000	1	114.8090	0.000	1	111.5960	6.600	5	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[3,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[5]-4:H-1:	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CH3)(OH)	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CO)(O[3]C[3,5])	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CO)(O[3]C[3,5]){2|C<4>,4|H<1>}	O(C[5]C[3,5]C[5]C)(H)	107.3020	0.349	2	107.3020	0.122	2	107.3020	0.122	2	110.8353	7.515	6	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[5]-4:H-1:	C[5](C[3,5]C[5,5]C[3]O[3])(C[5]C[5,5]HH)(CH3)(OH)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3])	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[5,5]C[3]O[3])(C[5]C[5,5]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[5]C[3,5]C[5]C)(H)	112.5840	0.000	2	112.6020	0.000	4	112.6020	0.000	4	110.8353	7.515	6	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:4:2:	4:4:4:2:	4:1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[5,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[5]-4:H-1:	C[5](C[3,5]C[5,5]C[3]O[3])(C[5]C[5,5]HH)(CH3)(OH)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3])	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[5,5]C[3]O[3])(C[5]C[5,5]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3]){1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[3,5]C[5]C)(H)	112.6200	0.000	2	112.6020	0.000	4	112.6020	0.000	4	110.8353	7.515	6	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3,5]	O	4:4:4:2:	4:4:4:3:	4:1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[3]-4:C[3]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(CH3)(OH)	C[3,5](C[3]C[3]HH)2(C[5]C[5]CO)(C[5]N[5]O)	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>,4|H<1>}	C[3,5](C[3]C[3]HH)2(C[5]C[5]CO)(C[5]N[5]O){1|C<3>,2|H<1>}	O(C[5]C[3,5]C[5]C)(H)	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	110.9606	6.977	45	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3]	O	4:3:2:2:	4:4:4:1:	4:1:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]C[5]O[5]O)(H)	O(C[5]C[3]C[5]O[5])(H)	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH){2|H<1>,6|C<4>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]C[5]O[5]O)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O(C[5]C[3]C[5]O[5])(H)	113.7155	0.685	2	113.3903	1.672	4	113.3903	1.672	4	113.0690	1.558	7	111.0006	12.428	14	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3]	O	4:3:2:2:	4:4:4:1:	4:1:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]C[5]O[5]O)(H)	O(C[5]C[3]C[5]O[5])(H)	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH){2|H<1>,6|C<4>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5]C[5]O[5]O)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O(C[5]C[3]C[5]O[5])(H)	113.0650	2.031	2	113.3903	1.672	4	113.3903	1.672	4	113.0690	1.558	7	111.0006	12.428	14	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3]	O	4:3:2:2:	4:4:4:1:	4:1:	C[3]-4:C[5]-3:O[5]-2:O-2:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:H-1:	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH)	C[3](C[5]C[5]O[5]O)(C[3]C[3]CC)(C[3]C[3]CH)(H)	O(C[5]C[3]C[5]O[5])(H)	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,6|C<4>}	C[3](C[5]C[5]O[5]O)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|O<1>,2|C<4>}	O(C[5]C[3]C[5]O[5])(H)	112.6407	1.297	3	112.6407	1.683	3	112.6407	1.683	3	113.0690	1.558	7	111.0006	12.428	14	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3]	O	4:4:2:2:	4:4:2:1:	4:4:	C[3]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:C-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(OC)	C[3](C[5]C[5]O[5]O)(C[3]O[3]CC)(O[3]C[3])(H)	O(C[5]C[3]C[5]O[5])(CCHH)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(OC){3|C<4>,3|H<1>}	C[3](C[5]C[5]O[5]O)(C[3]O[3]CC)(O[3]C[3])(H){2|C<4>,2|H<1>}	O(C[5]C[3]C[5]O[5])(CCHH)	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	111.0006	12.428	14	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3]	O	4:4:2:2:	4:4:2:3:	4:4:	C[5,6]-4:C[3]-4:O[5]-2:O-2:	C[5]-4:C[3]-4:O[3]-2:C-3:	C[5]-4:Si-4:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[3]C[3]O[3]C)(O[5]C[5])(OSi)	C[3](C[5]C[5,6]O[5]O)(C[3]O[3]HH)(O[3]C[3])(COO)	O(C[5]C[5,6]C[3]O[5])(SiC3)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[3]C[3]O[3]C)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[3](C[5]C[5,6]O[5]O)(C[3]O[3]HH)(O[3]C[3])(COO){1|C<4>,1|N<3>,2|C<3>}	O(C[5]C[5,6]C[3]O[5])(SiC3)	107.7900	0.000	1	107.7900	0.000	1	107.7900	0.000	1	107.7900	0.000	1	111.0006	12.428	14	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3]	O	4:4:3:2:	4:4:2:1:	4:1:	C[3]-4:C[5]-4:C[5]-3:O-2:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:H-1:	C[5](C[3]C[3,5]O[3]H)(C[5]C[5]CH)(C[5]O[5]O)(OH)	C[3](C[3,5]C[5]2O[3])(C[5]C[5]2O)(O[3]C[3,5])(H)	O(C[5]C[3]C[5]2)(H)	C[5](C[3]C[3,5]O[3]H)(C[5]C[5]CH)(C[5]O[5]O)(OH){4|C<4>}	C[3](C[3,5]C[5]2O[3])(C[5]C[5]2O)(O[3]C[3,5])(H){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	O(C[5]C[3]C[5]2)(H)	110.9630	0.000	1	110.9630	0.000	1	110.9630	0.000	1	110.9630	0.000	1	111.0006	12.428	14	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3]	O	4:4:3:2:	4:4:2:1:	4:2:	C[3]-4:C[5]-4:N[5]-3:O-2:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:O-2:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)(OO)	C[3](C[5]C[5]N[5]O)(C[3]O[3]HH)(O[3]C[3])(H)	O(C[5]C[3]C[5]N[5])(OC)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)(OO){1|O<1>,4|H<1>}	C[3](C[5]C[5]N[5]O)(C[3]O[3]HH)(O[3]C[3])(H){1|C<3>,2|C<4>,2|H<1>}	O(C[5]C[3]C[5]N[5])(OC)	100.9360	0.000	1	100.9360	0.000	1	100.9360	0.000	1	100.9360	0.000	1	111.0006	12.428	14	110.8800	10.133	101
474	486	893	0:SP3_SP3_SP3	C[5]	C[3]	O	4:4:4:2:	4:4:4:4:	4:1:	C[3]-4:C[5]-4:C[5]-4:O-2:	C[3]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:H-1:	C[5](C[3]C[3]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(C[5]C[5]2O)(CH3)	O(C[5]C[3]C[5]2)(H)	C[5](C[3]C[3]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<4>,6|H<1>}	C[3](C[3]C[3]CH)(C[3]C[3]HH)(C[5]C[5]2O)(CH3){3|C<4>,3|H<1>}	O(C[5]C[3]C[5]2)(H)	111.6200	0.430	3	111.6200	0.185	3	111.6200	0.185	3	111.6200	0.185	3	111.0006	12.428	14	110.8800	10.133	101
474	486	909	0:SP3_SP2_SP3	C[5]	C[3,5]	S	4:2:2:1:	4:4:2:1:	4:3:	C[3,5]-4:O[5]-2:S-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[6a]-3:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H)	S(C[5]C[3,5]O[5]H)(C[6a]C[6a]2)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H){1|C<4>,1|H<1>}	S(C[5]C[3,5]O[5]H)(C[6a]C[6a]2)	108.0125	0.274	2	108.0125	0.075	2	108.0125	0.075	2	108.0125	0.075	2	108.0125	0.075	2	108.0125	0.075	2
474	486	914	6:SP3_SP2_SP3	C[5,3x6]	C[3,6,6]	N[6,6]	4:4:2:4:	4:4:2:1:	4:2:	C[3,6,6]-4:C[5,6,6]-4:N[6,6]-2:C[5]-4:	C[5,3x6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[5,3x6]-4:N[6,6]-2:	C[5,3x6](C[3,6,6]C[3,6,6]O[3]H)(C[5,6,6]C[6,6]N[5]H)(N[6,6]N[6,6])(C[5]C[5]HH)	C[3,6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H)	N[6,6](C[5,3x6]C[3,6,6]C[5,6,6]C[5])(N[6,6]C[3x6])	C[5,3x6](C[3,6,6]C[3,6,6]O[3]H)(C[5,6,6]C[6,6]N[5]H)(N[6,6]N[6,6])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[3,6,6]C[3x6]O[3]H)(O[3]C[3,6,6])(H){1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[6,6](C[5,3x6]C[3,6,6]C[5,6,6]C[5])(N[6,6]C[3x6]){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1
474	486	930	0:SP3_SP2_SP3	C[3x5,6]	C[3,5,5,6]	C	4:4:3:3:	4:4:4:4:	4:2:1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-3:	C[3,5,5,6]-4:P[3,5,5]-4:C[3x5,6]-4:C-4:	C[3x5,6]-4:O-2:O-1:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(COO)	C[3,5,5,6](C[3,5,5,6]C[3x5,6]P[3,5,5]C)(P[3,5,5]C[3,5,5,6]P[5,5]Mo)(C[3x5,6]C[4x5]C[5,6]C)(CH3)	C(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(OC)(O)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(COO){1|Mo<6>,4|C<4>}	C[3,5,5,6](C[3,5,5,6]C[3x5,6]P[3,5,5]C)(P[3,5,5]C[3,5,5,6]P[5,5]Mo)(C[3x5,6]C[4x5]C[5,6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(OC)(O)	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C	3:4:3:3:	4:4:2:1:	4:4:1:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:C-3:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:C-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(CCO)	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	C(C[5,5,6]C[5,6,6a]C[3,5,6]N[5,5])(CH3)(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(CCO){2|C<3>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]C)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[3,5,6]N[5,5])(CH3)(O)	118.5630	0.000	1	118.5630	0.000	1	118.5630	0.000	1	118.5630	0.000	1	115.6417	6.462	3	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,5,6]	C[3,5,6]	C	4:2:3:3:	4:4:4:3:	4:2:1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-3:	C[5,5,6]-4:O-2:O-1:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(COO)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(OC)(O)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]CH)(COO){1|C<3>,1|C<4>,1|O<2>}	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(OC)(O)	114.1810	0.349	2	114.1810	0.122	2	114.1810	0.122	2	114.1810	0.122	2	115.6417	6.462	3	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C	3:3:4:3:	4:4:4:3:	4:1:1:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:H-1:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O)	C(C[5,5]C[3,5,5]C[5,6a]2)(H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHO){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2C)(CC[6a]O){4|C<3>}	C(C[5,5]C[3,5,5]C[5,6a]2)(H)(O)	117.3380	0.000	1	117.3380	0.000	1	117.3380	0.000	1	117.3380	0.000	1	115.8465	3.230	6	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C	3:4:3:1:	3:3:4:2:	4:2:1:	N[5,5]-3:C[3,5,5]-4:C-3:H-1:	P[3,3,5]-3:P[3,3,5]-3:C[5,5]-4:O-2:	C[5,5]-4:N-2:H-1:	C[5,5](N[5,5]P[3,5,5]C[6a])(C[3,5,5]P[3,3,5]2O)(CHN)(H)	C[3,5,5](P[3,3,5]P[3,3,5]P[3,5,5])2(C[5,5]N[5,5]CH)(OP[5])	C(C[5,5]C[3,5,5]N[5,5]H)(NC[6a])(H)	C[5,5](N[5,5]P[3,5,5]C[6a])(C[3,5,5]P[3,3,5]2O)(CHN)(H){2|C<3>}	C[3,5,5](P[3,3,5]P[3,3,5]P[3,5,5])2(C[5,5]N[5,5]CH)(OP[5]){1|C<3>}	C(C[5,5]C[3,5,5]N[5,5]H)(NC[6a])(H)	113.3060	0.000	1	113.3060	0.000	1	113.3060	0.000	1	113.3060	0.000	1	115.8465	3.230	6	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C	3:4:3:3:	4:4:4:3:	4:2:1:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:C-3:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[5,5]-4:O-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(COO)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]C)(C[3,5]C[3,5]C[5]H)(CC[6a]O)	C(C[5,5]C[3,5,5]C[5,6a]C[5])(OC)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5]C[5]H)(COO){2|C<3>,4|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]C[5]C)(C[3,5]C[3,5]C[5]H)(CC[6a]O){2|C<3>,2|H<1>}	C(C[5,5]C[3,5,5]C[5,6a]C[5])(OC)(O)	117.4250	0.000	1	117.4250	0.000	1	117.4250	0.000	1	117.4250	0.000	1	115.8465	3.230	6	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C	4:4:3:1:	4:4:4:1:	4:2:1:	C[3,5,5]-4:C[3x5]-4:C-3:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:O-2:O-1:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(COO)(H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]CH)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(OH)(O)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(COO)(H){1|C<3>,1|N<4>,4|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]CH)(H){1|C<3>,1|N<4>,3|H<1>}	C(C[5,5]C[3,5,5]C[3x5]H)(OH)(O)	116.1130	0.000	1	116.1130	0.000	1	116.1130	0.000	1	116.1130	0.000	1	115.8465	3.230	6	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5,5]-4:C[3x5]-4:C-3:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:O-1:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CC[6a]O)(H)	C[3,5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]C[5,5])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]CH)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(C[6a]C[6a]2)(O)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CC[6a]O)(H){1|B<6>,1|O<2>,4|H<1>}	C[3,5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]C[5,5])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]CH)(H){1|O<2>,2|C<6>,3|B<6>,4|H<1>}	C(C[5,5]C[3,5,5]C[3x5]H)(C[6a]C[6a]2)(O)	113.9330	0.000	1	113.9330	0.000	1	113.9330	0.000	1	113.9330	0.000	1	115.8465	3.230	6	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,5]	C[3,5,5]	C	4:4:4:3:	4:4:4:1:	4:1:1:	C[3,5,5]-4:C[3x5]-4:N-4:C-3:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:O-1:O-1:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(NH3)(COO)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]CN)(H)	C(C[5,5]C[3,5,5]C[3x5]N)(O)2	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(NH3)(COO){1|C<3>,5|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]CN)(H){1|C<3>,4|H<1>}	C(C[5,5]C[3,5,5]C[3x5]N)(O)2	116.9640	0.000	1	116.9640	0.000	1	116.9640	0.000	1	116.9640	0.000	1	115.8465	3.230	6	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C	4:4:3:1:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[5,6,6]-4:C-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:O-1:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,6,6]C[5,6]H)(CC[6a]O)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C[6a])(C[3,6,6]C[3,5,6]C[4,6,6]C)(C[5,6]C[5,6,6]CH)(H)	C(C[5,6]C[3,5,6]C[5,6,6]H)(C[6a]C[6a]2)(O)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,6,6]C[5,6]H)(CC[6a]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C[6a])(C[3,6,6]C[3,5,6]C[4,6,6]C)(C[5,6]C[5,6,6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[5,6]C[3,5,6]C[5,6,6]H)(C[6a]C[6a]2)(O)	113.9680	0.000	1	113.9680	0.000	1	113.9680	0.000	1	113.9680	0.000	1	113.9200	5.579	6	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:C[3]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]HH)2	C(C[5,6]C[3,5,6]C[5,5,6]H)(N[5]C[5,5]C[5])(O)	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H){1|C<4>,9|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]HH)2{1|C<4>,5|H<1>}	C(C[5,6]C[3,5,6]C[5,5,6]H)(N[5]C[5,5]C[5])(O)	116.7290	0.000	1	116.7290	0.000	1	116.5180	0.089	2	116.5180	0.089	2	113.9200	5.579	6	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:C[3]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]HH)2	C(C[5,6]C[3,5,6]C[5,5,6]H)(N[5]C[5]2)(O)	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H){1|C<3>,8|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]HH)2{1|C<3>,4|H<1>}	C(C[5,6]C[3,5,6]C[5,5,6]H)(N[5]C[5]2)(O)	116.3070	0.000	1	116.3070	0.000	1	116.5180	0.089	2	116.5180	0.089	2	113.9200	5.579	6	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C	4:4:3:3:	4:4:3:2:	4:2:1:	C[3,5,6]-4:C[5,5,6]-4:C[6]-3:C-3:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[5,6]-4:O-2:O-1:	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6a]O)(COO)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C(C[5,6]C[3,5,6]C[5,5,6]C[6])(OC)(O)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6a]O)(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,2|O<2>,5|C<3>}	C(C[5,6]C[3,5,6]C[5,5,6]C[6])(OC)(O)	111.5160	0.000	1	111.5160	0.000	1	111.5160	0.000	1	111.5160	0.000	1	113.9200	5.579	6	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C	4:4:4:3:	4:3:4:2:	4:2:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-3:	C[3,5]-4:C[6,6a]-3:C[5,6]-4:O[3]-2:	C[5,6]-4:O-2:O-1:	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5,6]HH)(C[6]N[6]HH)(COO)	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C(C[5,6]C[3,5,6]C[5]C[6])(OC)(O)	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5,6]HH)(C[6]N[6]HH)(COO){1|S<4>,2|C<4>,3|C<3>}	C[3,5,6](C[3,5]C[5,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C(C[5,6]C[3,5,6]C[5]C[6])(OC)(O)	113.9990	0.000	1	113.9990	0.000	1	113.9990	0.000	1	113.9990	0.000	1	113.9200	5.579	6	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,6]	C[3,5,6]	C	4:4:4:3:	4:4:4:4:	4:2:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-3:	C[3,6]-4:C[5,6]-4:C[3]-4:C[5]-4:	C[5,6]-4:O-2:O-1:	C[5,6](C[3,5,6]C[3,6]C[3]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO)	C[3,5,6](C[3,6]C[3]C[6]H)(C[5,6]C[5]C[6]C)(C[3]C[3,6]HH)(C[5]C[5]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(OC)(O)	C[5,6](C[3,5,6]C[3,6]C[3]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(COO){1|C<3>,9|H<1>}	C[3,5,6](C[3,6]C[3]C[6]H)(C[5,6]C[5]C[6]C)(C[3]C[3,6]HH)(C[5]C[5]HH){1|O<1>,2|C<4>,5|H<1>}	C(C[5,6]C[3,5,6]C[5]C[6])(OC)(O)	111.0010	0.000	1	111.0010	0.000	1	111.0010	0.000	1	111.0010	0.000	1	113.9200	5.579	6	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,6]	C[3,5]	C	4:4:3:3:	4:4:3:3:	4:2:1:	C[3,5]-4:C[6]-4:N[5,6]-3:C-3:	C[5,6]-4:C[3]-4:N[3,5]-3:C-3:	C[5,6]-4:O-2:O-1:	C[5,6](C[3,5]N[3,5]C[3]C)(C[6]C[6a]N[6]H)(N[5,6]C[5,6]H)(COO)	C[3,5](C[5,6]N[5,6]C[6]C)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,6]C[3])(COO)	C(C[5,6]C[3,5]N[5,6]C[6])(OC)(O)	C[5,6](C[3,5]N[3,5]C[3]C)(C[6]C[6a]N[6]H)(N[5,6]C[5,6]H)(COO){1|H<1>,5|C<3>}	C[3,5](C[5,6]N[5,6]C[6]C)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,6]C[3])(COO){1|N<2>,2|H<1>,5|C<3>}	C(C[5,6]C[3,5]N[5,6]C[6])(OC)(O)	112.5010	0.000	1	112.5010	0.000	1	112.5010	0.000	1	112.5010	0.000	1	112.5010	0.000	1	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5,6]	C[3,6]	C	4:4:2:3:	3:4:4:4:	4:2:1:	C[3,6]-4:C[5]-4:O[5,6]-2:C-3:	C[6,6a]-3:C[5,6]-4:C[3]-4:C[3]-4:	C[5,6]-4:O-2:O-1:	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5]C[6a]C[5]H)(O[5,6]C[5,6])(COO)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)(C[3]C[6a]C[3]H)(C[3]C[3]HH)	C(C[5,6]C[3,6]O[5,6]C[5])(OC)(O)	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5]C[6a]C[5]H)(O[5,6]C[5,6])(COO){5|C<3>,6|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]C)(C[3]C[6a]C[3]H)(C[3]C[3]HH){2|C<4>,2|H<1>,5|C<3>}	C(C[5,6]C[3,6]O[5,6]C[5])(OC)(O)	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:3:3:1:	4:3:4:3:	4:2:1:	C[3,5]-4:N[4,5]-3:C-3:H-1:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[5]-4:O-2:O-1:	C[5](C[3,5]N[3,5]C[3]C)(N[4,5]C[4,5]C[4])(COO)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[4,5]C[3])(C[5]N[4,5]CH)(COO)	C(C[5]C[3,5]N[4,5]H)(OC)(O)	C[5](C[3,5]N[3,5]C[3]C)(N[4,5]C[4,5]C[4])(COO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[4,5]C[3])(C[5]N[4,5]CH)(COO){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[3,5]N[4,5]H)(OC)(O)	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:3:3:1:	4:4:2:1:	4:2:1:	C[3,5]-4:N[5]-3:C-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(COO)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H)	C(C[5]C[3,5]N[5]H)(OC)(O)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(COO)(H){3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H){1|C<3>,2|H<1>}	C(C[5]C[3,5]N[5]H)(OC)(O)	109.4140	0.000	1	109.4140	0.000	1	109.4140	0.000	1	109.4140	0.000	1	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:3:3:1:	4:4:4:1:	4:1:1:	C[3,5]-4:N[5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:O-1:O-1:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]CH)(H)	C(C[5]C[3,5]N[5]H)(O)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H){5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]CH)(H){1|C<3>,2|H<1>}	C(C[5]C[3,5]N[5]H)(O)2	109.5540	0.000	1	109.5540	0.000	1	109.5540	0.000	1	109.5540	0.000	1	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:3:3:1:	4:4:4:1:	4:2:1:	C[3,5]-4:N[5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]CH)(H)	C(C[5]C[3,5]N[5]H)(OC)(O)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H){1|O<1>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>}	C(C[5]C[3,5]N[5]H)(OC)(O)	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	109.8800	0.526	3	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:3:3:1:	4:4:4:1:	4:2:1:	C[3,5]-4:N[5]-3:C-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]H)(COO)(H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]CH)(H)	C(C[5]C[3,5]N[5]H)(OC)(O)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]H)(COO)(H){2|H<1>,3|C<3>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	C(C[5]C[3,5]N[5]H)(OC)(O)	109.5555	0.648	2	109.5555	0.420	2	109.5555	0.420	2	109.8800	0.526	3	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:3:3:3:	4:4:3:2:	4:2:1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:C-3:	C[3,5]-4:C[5]-4:C[6a]-3:O[3]-2:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO)	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5])	C(C[5]C[5,6a]C[3,5]C[6a])(OC)(O)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(COO){4|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,6a]O[3]H)(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(O[3]C[3,5]){2|H<1>,6|C<3>}	C(C[5]C[5,6a]C[3,5]C[6a])(OC)(O)	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:3:4:3:	3:4:3:4:	4:2:1:	C[3,5]-4:N[5]-3:C-4:C-3:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CCHH)(COO)	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC)	C(C[5]C[3,5]N[5]C)(OC)(O)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CCHH)(COO){3|C<3>,3|H<1>}	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC){3|C<3>,4|H<1>}	C(C[5]C[3,5]N[5]C)(OC)(O)	111.0880	0.000	1	111.0880	0.000	1	111.0880	0.000	1	111.0880	0.000	1	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:3:4:3:	4:3:3:4:	4:2:1:	C[3,5]-4:N[5]-3:C-4:C-3:	C[3]-4:N[3,5]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CH3)(COO)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)	C(C[5]C[3,5]N[5]C)(OC)(O)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CH3)(COO){2|H<1>,4|C<3>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[6a]C[6a]2)(C[5]N[5]CC){4|H<1>,5|C<3>}	C(C[5]C[3,5]N[5]C)(OC)(O)	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:3:4:3:	4:4:2:1:	4:2:1:	C[3,5]-4:C[6a]-3:C[5]-4:C-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]C[5]C)(O[3]C[3,5])(H)	C(C[5]C[3,5]C[6a]C[5])(OC)(O)	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]C[5]C)(O[3]C[3,5])(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[3,5]C[6a]C[5])(OC)(O)	108.0400	0.000	1	108.0400	0.000	1	108.0400	0.000	1	108.0400	0.000	1	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:3:4:3:	4:4:4:1:	4:2:1:	C[3,5]-4:C[5]-3:C-4:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)(COO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]CC)(H)	C(C[5]C[3,5]C[5]C)(OC)(O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)(COO){1|C<3>,1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]CC)(H){1|C<4>,1|H<1>}	C(C[5]C[3,5]C[5]C)(OC)(O)	109.3280	0.000	1	109.3280	0.000	1	109.3280	0.000	1	109.2585	0.010	2	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:3:4:3:	4:4:4:1:	4:2:1:	C[3,5]-4:N[5]-3:C-4:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(CF3)(COO)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]CC)(H)	C(C[5]C[3,5]N[5]C)(OC)(O)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(CF3)(COO){1|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]CC)(H){1|S<4>,2|H<1>}	C(C[5]C[3,5]N[5]C)(OC)(O)	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	109.2585	0.010	2	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:4:2:3:	4:4:4:1:	4:2:1:	C[3,5]-4:C-4:O[5]-2:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(COO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]CC)(H)	C(C[5]C[3,5]O[5]C)(OC)(O)	C[5](C[3,5]C[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(COO){2|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]CC)(H){1|C<3>,1|H<1>}	C(C[5]C[3,5]O[5]C)(OC)(O)	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:4:3:1:	4:4:2:1:	4:4:3:	C[3,5]-4:C[5]-4:C-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:C[6]-4:C-3:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]C)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H)	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CHH)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]C)(H){1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CHH)	114.4110	0.246	2	114.4110	0.061	2	114.4110	0.061	2	114.4110	0.061	2	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:4:3:1:	4:4:4:3:	4:2:1:	C[3,5]-4:P[5]-4:C-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:C-3:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5,5]C[3,5]C)(P[5]C[5,5]OW)(COO)(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]P[5]CH)(COO)	C(C[5]C[3,5]P[5]H)(OC)(O)	C[5](C[3,5]C[3,5,5]C[3,5]C)(P[5]C[5,5]OW)(COO)(H){2|C<3>,3|C<4>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]P[5]CH)(COO){1|C<3>,1|O<2>,1|W<6>,2|C<4>}	C(C[5]C[3,5]P[5]H)(OC)(O)	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:4:3:1:	4:4:4:4:	4:2:1:	C[3,5]-4:C[5]-4:C-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:C-4:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HH)(COO)(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5]CH)(CHHO)	C(C[5]C[3,5]C[5]H)(OC)(O)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5]CH)(CHHO){1|C<4>,1|O<1>,3|H<1>}	C(C[5]C[3,5]C[5]H)(OC)(O)	114.9235	0.011	2	114.9235	0.000	2	114.9235	0.000	2	113.0723	10.281	3	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:4:3:1:	4:4:4:4:	4:2:1:	C[3,5]-4:C[5]-4:C-3:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(COO)(H)	C[3,5](C[3]C[3]HH)2(C[5]C[5]CH)(C[5]C[5]HH)	C(C[5]C[3,5]C[5]H)(OC)(O)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(COO)(H){2|C<3>,6|H<1>}	C[3,5](C[3]C[3]HH)2(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|H<1>}	C(C[5]C[3,5]C[5]H)(OC)(O)	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	113.0723	10.281	3	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:4:3:1:	4:4:4:4:	4:3:1:	C[3,5]-4:C[5]-4:C-3:H-1:	C[3,5,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:C-3:H-1:	C[5](C[3,5]C[3,5,5]C[3]C)(C[5]C[5,5]HH)(CCH)(H)	C[3,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5]CH)(CHHO)	C(C[5]C[3,5]C[5]H)(CCH)(H)	C[5](C[3,5]C[3,5,5]C[3]C)(C[5]C[5,5]HH)(CCH)(H){2|C<4>,3|H<1>}	C[3,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5]CH)(CHHO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[3,5]C[5]H)(CCH)(H)	109.6650	0.000	1	109.6650	0.000	1	109.6650	0.000	1	109.6650	0.000	1	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:4:3:3:	3:3:4:2:	4:2:1:	C[3,5]-4:C[5]-4:C-3:C-3:	C[3]-3:C[3]-3:C[5]-4:O[5]-2:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(COO)2	C[3,5](C[3]C[6a]C[3])2(C[5]C[5]CC)(O[5]C[5])	C(C[5]C[3,5]C[5]C)(OC)(O)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(COO)2{1|H<1>,3|C<3>}	C[3,5](C[3]C[6a]C[3])2(C[5]C[5]CC)(O[5]C[5]){3|H<1>,5|C<3>}	C(C[5]C[3,5]C[5]C)(OC)(O)	111.0600	4.260	2	111.0600	18.144	2	111.0600	18.144	2	111.0600	18.144	2	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:4:3:3:	4:2:4:1:	4:2:1:	C[3,5]-4:C[5]-4:C-3:C-3:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HH)(COO)2	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(O[3]C[3,5,6])(C[5]C[5]CC)(H)	C(C[5]C[3,5]C[5]C)(OC)(O)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>}	C[3,5](C[3,5,6]C[6,6a]C[5,6]O[3])(O[3]C[3,5,6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[3,5]C[5]C)(OC)(O)	109.4797	0.083	4	109.4797	0.007	4	109.4797	0.007	4	109.4797	0.007	4	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:4:3:3:	4:4:2:1:	4:2:1:	C[3,5]-4:C[5]-4:C-3:C-3:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(COO)2	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]C[5]CC)(O[3]C[3,5])(H)	C(C[5]C[3,5]C[5]C)(OC)(O)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(COO)2{1|C<3>,1|C<4>,1|H<1>}	C[3,5](C[3,5]C[6a]C[5]O[3])(C[5]C[5]CC)(O[3]C[3,5])(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[3,5]C[5]C)(OC)(O)	109.4335	2.576	2	109.4335	6.636	2	109.4335	6.636	2	109.4335	6.636	2	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:4:3:3:	4:4:4:1:	4:2:1:	C[3,5]-4:C[5]-4:C-3:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:O-2:O-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(COO)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]CC)(H)	C(C[5]C[3,5]C[5]C)(OC)(O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(COO)2{1|C<3>,1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]CC)(H){1|C<3>,2|H<1>}	C(C[5]C[3,5]C[5]C)(OC)(O)	110.7285	1.179	2	110.7285	1.389	2	110.7285	1.389	2	110.7285	1.389	2	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3,5]	C	4:4:4:3:	4:4:4:1:	4:1:1:	C[3,5]-4:C[5]-4:N-4:C-3:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:O-1:O-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NH3)(COO)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]CN)(H)	C(C[5]C[3,5]C[5]N)(O)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NH3)(COO){1|C<3>,1|F<1>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]CN)(H){1|F<1>,3|H<1>}	C(C[5]C[3,5]C[5]N)(O)2	107.7380	0.000	1	107.7380	0.000	1	107.7380	0.000	1	107.7380	0.000	1	110.7924	6.174	31	112.3164	9.425	50
474	486	930	0:SP3_SP2_SP3	C[5]	C[3]	C	3:3:4:3:	4:4:4:1:	4:3:1:	C[5,6a]-3:N[5,6]-3:C[3]-4:C-3:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[3]C[3]2H)(CCH)	C[3](C[5]C[5,6a]N[5,6]C)(C[3]C[3]HH)2(H)	C(C[5]C[5,6a]N[5,6]C[3])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[3]C[3]2H)(CCH){4|C<3>,6|H<1>}	C[3](C[5]C[5,6a]N[5,6]C)(C[3]C[3]HH)2(H){4|C<3>}	C(C[5]C[5,6a]N[5,6]C[3])(CCH)(H)	115.0910	0.000	1	115.0910	0.000	1	115.0910	0.000	1	115.0910	0.000	1	115.0910	0.000	1	112.3164	9.425	50
474	486	941	0:SP3_SP2_SP3	C[5]	C[3,5]	N	4:4:2:1:	4:4:2:1:	4:2:	C[3,5]-4:C[5,5]-4:N-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:N-2:	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(NN)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HN)(O[3]C[3,5])(H)	N(C[5]C[3,5]C[5,5]H)(NN)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(NN)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HN)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|O<1>}	N(C[5]C[3,5]C[5,5]H)(NN)	102.7660	0.481	2	102.7660	0.231	2	102.7660	0.231	2	102.7660	0.231	2	103.5687	2.048	3	103.5687	2.048	3
474	486	941	0:SP3_SP2_SP3	C[5]	C[3,5]	N	4:4:2:1:	4:4:4:1:	4:2:	C[3,5]-4:C[5]-4:N-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:N-2:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]HN)(H)	N(C[5]C[3,5]C[5]H)(NN)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H){1|C<3>,1|O<2>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]HN)(H){2|H<1>,2|O<2>}	N(C[5]C[3,5]C[5]H)(NN)	105.1740	0.000	1	105.1740	0.000	1	105.1740	0.000	1	105.1740	0.000	1	103.5687	2.048	3	103.5687	2.048	3
474	486	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[3,5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3,5,5,6]-4:H-1:	C[3x5,3x6]-4:C[3x5,6,6]-4:C[3]-4:C[3]-4:	C[3x5,3x6]-4:	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[3,5,5,6]C[3x5,6,6]C[3]2)(H)	C[3,5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(C[3]C[3]HH)2	H(C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]C[3x5,6,6])	C[3x5,3x6](C[3x5,3x6]C[3x5,6,6]C[5,5,6]C)(C[3x5,6,6]C[4x5,6,6]C[5,6]H)(C[3,5,5,6]C[3x5,6,6]C[3]2)(H){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C[3,5,5,6](C[3x5,3x6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[4x5,6,6]C[5,5,6]H)(C[3]C[3]HH)2{2|C<3>,2|C<4>,3|H<1>}	H(C[3x5,3x6]C[3,5,5,6]C[3x5,3x6]C[3x5,6,6])	117.0190	0.000	1	117.0190	0.000	1	117.0190	0.000	1	117.0190	0.000	1	117.0190	0.000	1	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[3,5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5,5,6]-4:C[4,3x5,6,6]-4:C[5,5,6]-4:H-1:	C[3x5,6,6]-4:C[4x5,6,6]-4:C[3]-4:C[3]-4:	C[3x5,6,6]-4:	C[3x5,6,6](C[3,5,5,6]C[4x5,6,6]C[3]2)(C[4,3x5,6,6]C[4,3x5,6]2H)(C[5,5,6]C[4x5,6,6]CH)(H)	C[3,5,5,6](C[3x5,6,6]C[4,3x5,6,6]C[5,5,6]H)(C[4x5,6,6]C[4,3x5,6]C[4x5,6,6]H)(C[3]C[3]HH)2	H(C[3x5,6,6]C[4,3x5,6,6]C[3,5,5,6]C[5,5,6])	C[3x5,6,6](C[3,5,5,6]C[4x5,6,6]C[3]2)(C[4,3x5,6,6]C[4,3x5,6]2H)(C[5,5,6]C[4x5,6,6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	C[3,5,5,6](C[3x5,6,6]C[4,3x5,6,6]C[5,5,6]H)(C[4x5,6,6]C[4,3x5,6]C[4x5,6,6]H)(C[3]C[3]HH)2{2|C<3>,2|C<4>,3|H<1>}	H(C[3x5,6,6]C[4,3x5,6,6]C[3,5,5,6]C[5,5,6])	117.3090	0.000	1	117.3090	0.000	1	117.3090	0.000	1	117.3090	0.000	1	117.3090	0.000	1	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[4x5]-4:O[5,6]-2:H-1:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(O[5,6]C[5,6])(H)	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]C)(C[3,5,5]C[3,5,5,6]C[5,5]H)(C[3x5,6]C[4x5]O[5,6]H)(H)	H(C[3x5,6]C[3,5,5,6]C[4x5]O[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(O[5,6]C[5,6])(H){1|O<1>,2|C<4>,3|H<1>}	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]C)(C[3,5,5]C[3,5,5,6]C[5,5]H)(C[3x5,6]C[4x5]O[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]O[5,6])	114.8860	0.000	1	114.8860	0.000	1	114.8860	0.000	1	114.8860	0.000	1	115.3649	0.527	34	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6,6a]-3:H-1:	C[3,5,5,6,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H)	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[5,6,6a]C[4x5]H)(H)	H(C[3x5,6]C[3,5,5,6]C[5,6,6a]C[4x5])	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H){1|Sn<4>,1|H<1>,2|C<3>,2|C<4>}	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[5,6,6a]C[4x5]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[3x5,6]C[3,5,5,6]C[5,6,6a]C[4x5])	116.3850	0.180	2	116.4300	0.022	3	116.4300	0.022	3	116.0739	0.696	8	115.3649	0.527	34	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6,6a]-3:H-1:	C[3,5,5,6,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H)	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[5,6,6a]C[4x5]H)(H)	H(C[3x5,6]C[3,5,5,6]C[5,6,6a]C[4x5])	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6,6a]C[5,6,6a]C[6a])(H){1|Sn<4>,1|H<1>,2|C<3>,2|C<4>}	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[5,6,6a]C[4x5]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[3x5,6]C[3,5,5,6]C[5,6,6a]C[4x5])	116.5200	0.000	1	116.4300	0.022	3	116.4300	0.022	3	116.0739	0.696	8	115.3649	0.527	34	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[3,5,5,6,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H)	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[4x5]C[5,6]H)(H)	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H){1|Sn<4>,1|H<1>,2|C<4>}	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[4x5]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	114.8210	0.000	1	116.2227	1.591	3	116.2227	1.591	3	116.0739	0.696	8	115.3649	0.527	34	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[3,5,5,6,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H)	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[4x5]C[5,6]H)(H)	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6,6]C[3,5,5]H)(C[4x5]C[3x5,6,6]O[5,5]O)(C[5,6]C[5,6]H)(H){1|Sn<4>,1|H<1>,2|C<4>}	C[3,5,5,6](C[3,5,5,6,6]C[3x5,6,6]C[3,5,5]C[6])(C[3,5,5]C[3,5,5,6,6]O[5,5]Sn)(C[3x5,6]C[4x5]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	116.9235	0.486	2	116.2227	1.591	3	116.2227	1.591	3	116.0739	0.696	8	115.3649	0.527	34	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C)(H)	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[5,5]H)(C[3x5,6]C[4x5]C[5,6]H)(H)	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C)(H){1|C<4>,6|H<1>}	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[5,5]H)(C[3x5,6]C[4x5]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	115.1560	0.000	1	115.1560	0.000	1	115.3165	0.052	2	116.0739	0.696	8	115.3649	0.527	34	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:H-1:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[4x5,6]C)(C[3,5,5]C[3,5,5,6]O[5,5]C)(C[3x5,6]C[4x5]C[5,6]H)(H)	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){2|C<3>,2|C<4>}	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[4x5,6]C)(C[3,5,5]C[3,5,5,6]O[5,5]C)(C[3x5,6]C[4x5]C[5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	115.4770	0.000	1	115.4770	0.000	1	115.3165	0.052	2	116.0739	0.696	8	115.3649	0.527	34	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[3,5,5,6]-4:C[5,5]-4:H-1:	C[3,3x5,6]-4:C[3,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,3x5,6]C[3,5,5,6]H)2(C[5,5]C[3x5,6]HH)(H)	C[3,5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]C[5,5,6])(C[3,5,5,6]C[3,3x5,6]C[3x5,6]H)(C[3x5,6]C[3,5,5,6]C[5,5]H)(H)	H(C[3x5,6]C[3,5,5,6]2C[5,5])	C[3x5,6](C[3,5,5,6]C[3,3x5,6]C[3,5,5,6]H)2(C[5,5]C[3x5,6]HH)(H){2|C<4>,3|H<1>}	C[3,5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]C[5,5,6])(C[3,5,5,6]C[3,3x5,6]C[3x5,6]H)(C[3x5,6]C[3,5,5,6]C[5,5]H)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[3x5,6]C[3,5,5,6]2C[5,5])	114.6532	0.775	4	114.6532	0.600	4	114.6532	0.600	4	115.2792	0.257	21	115.3649	0.527	34	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[3,5,5,6]-4:C[5,5]-4:H-1:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)2(C[5,5]C[3x5,6]HH)(H)	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[3,5,5]2)(C[3x5,6]C[3,5,5,6]C[5,5]H)(H)	H(C[3x5,6]C[3,5,5,6]2C[5,5])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)2(C[5,5]C[3x5,6]HH)(H){1|C<4>,1|I<1>,3|H<1>}	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[3,5,5]2)(C[3x5,6]C[3,5,5,6]C[5,5]H)(H){1|I<1>,4|C<4>,4|H<1>}	H(C[3x5,6]C[3,5,5,6]2C[5,5])	115.5100	0.140	8	115.5100	0.020	8	115.5213	0.016	15	115.2792	0.257	21	115.3649	0.527	34	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[3,5,5,6]-4:C[5,5]-4:H-1:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)2(C[5,5]C[3x5,6]HH)(H)	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[3,5,5]I)(C[3x5,6]C[3,5,5,6]C[5,5]H)(H)	H(C[3x5,6]C[3,5,5,6]2C[5,5])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)2(C[5,5]C[3x5,6]HH)(H){1|C<4>,1|I<1>,3|H<1>}	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[3,5,5]I)(C[3x5,6]C[3,5,5,6]C[5,5]H)(H){2|C<4>,4|H<1>}	H(C[3x5,6]C[3,5,5,6]2C[5,5])	115.5341	0.118	7	115.5341	0.014	7	115.5213	0.016	15	115.2792	0.257	21	115.3649	0.527	34	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-4:H-1:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C[6]H)(H)	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[5,5]H)(C[3x5,6]C[4x5]C[5,6]H)(H)	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]C[5,6]C[6]H)(H){1|Ru<11>,1|C<3>,2|C<4>,5|H<1>}	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[5,5]H)(C[3x5,6]C[4x5]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	114.5950	0.000	1	114.5950	0.000	1	114.7160	0.029	2	115.2792	0.257	21	115.3649	0.527	34	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-4:H-1:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H)	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[4x5,6]H)(C[3,5,5]C[3,5,5,6]C[5,5]H)(C[3x5,6]C[4x5]C[5,6]H)(H)	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[4x5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(H){2|C<4>,5|H<1>}	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[4x5,6]H)(C[3,5,5]C[3,5,5,6]C[5,5]H)(C[3x5,6]C[4x5]C[5,6]H)(H){1|O<2>,2|C<4>,4|H<1>}	H(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])	114.8370	0.000	1	114.8370	0.000	1	114.7160	0.029	2	115.2792	0.257	21	115.3649	0.527	34	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5,6]	H	6:4:4:1:	4:4:4:1:	4:	C[5x3,6x5,21x6]-6:C[3,5,5,6]-4:C[4x5]-4:H-1:	C[3x5,6]-4:C[3,5,5,6]-4:C[3,5,5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(H)	C[3,5,5,6](C[3x5,6]C[5x3,6x5,21x6]C[4x5]H)(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[5,5]H)(H)	H(C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]C[4x5])	C[3x5,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[3,5,5,6]C[3,5,5,6]C[3,5,5]H)(C[4x5]C[3x5,6]C[5,5]H)(H){5|B<6>,9|H<1>}	C[3,5,5,6](C[3x5,6]C[5x3,6x5,21x6]C[4x5]H)(C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[3,5,5]C[3,5,5,6]C[5,5]H)(H){1|C<6>,4|B<6>,4|H<1>}	H(C[3x5,6]C[5x3,6x5,21x6]C[3,5,5,6]C[4x5])	114.5165	0.180	4	114.5165	0.032	4	114.5165	0.032	4	114.5165	0.032	4	115.3649	0.527	34	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[4x5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3,3x5]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4x5,6]C[3,3x5]C[3x5,6]C[5])(C[3,5,5]C[3,3x5]C[3,5,5]H)(C[3x5,6]C[3,5,5]C[4x5,6]H)(H)	C[3,5,5](C[3,3x5]C[3,5,5]C[4x5,6]C[5])(C[3,5,5]C[3,3x5]C[3x5,6]H)(C[3x5,6]C[3x5,6]C[4x5,6]H)(H)	H(C[3x5,6]C[3,5,5]C[3x5,6]C[4x5,6])	C[3x5,6](C[4x5,6]C[3,3x5]C[3x5,6]C[5])(C[3,5,5]C[3,3x5]C[3,5,5]H)(C[3x5,6]C[3,5,5]C[4x5,6]H)(H){1|N<3>,5|C<4>,5|H<1>}	C[3,5,5](C[3,3x5]C[3,5,5]C[4x5,6]C[5])(C[3,5,5]C[3,3x5]C[3x5,6]H)(C[3x5,6]C[3x5,6]C[4x5,6]H)(H){1|N<3>,4|H<1>,5|C<4>}	H(C[3x5,6]C[3,5,5]C[3x5,6]C[4x5,6])	116.2780	0.484	2	116.2780	0.234	2	116.2780	0.234	2	116.2780	0.234	2	116.0220	0.165	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[3,5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3]-4:C[3]-4:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,5,5]C[3x5,6]C[3]2)(H)	C[3,5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(C[3]C[3]HH)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[3,5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,5,5]C[3x5,6]C[3]2)(H){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	C[3,5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(C[3]C[3]HH)2{2|C<3>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[3,5,5])	115.7710	0.000	1	115.7660	0.000	2	115.7660	0.000	2	115.7660	0.000	2	116.0220	0.165	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[3,5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3]-4:C[3]-4:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,5,5]C[3x5,6]C[3]2)(H)	C[3,5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(C[3]C[3]HH)2	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[3,5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,5,5]C[3x5,6]C[3]2)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[3,5,5](C[3x5,6]C[4,5,5,6]C[5,5,6,6]H)2(C[3]C[3]HH)2{2|C<3>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[3,5,5])	115.7610	0.000	1	115.7660	0.000	2	115.7660	0.000	2	115.7660	0.000	2	116.0220	0.165	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6]-4:C[5,5,6,6]-4:C[3,5,6]-4:H-1:	C[3x5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[3,5,6]C[3,5,6]C[3]H)(H)	C[3,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[3,5,6]C[5,5,6,6]C[3]H)(C[3]C[3,5,6]HH)(H)	H(C[3x5,6]C[5,5,6,6]C[3,5,6]C[3x5,6])	C[3x5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[3,5,6]C[3,5,6]C[3]H)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[3,5,6]C[5,5,6,6]C[3]H)(C[3]C[3,5,6]HH)(H){1|C<3>,1|H<1>,4|C<4>}	H(C[3x5,6]C[5,5,6,6]C[3,5,6]C[3x5,6])	114.9175	0.066	2	114.9175	0.004	2	114.9175	0.004	2	114.9175	0.004	2	114.9175	0.004	2	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[4x5,6,6]	C[3,5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,3x5,6]-4:C[4x5,6,6]-4:C[3,5,5,6]-4:H-1:	C[3x5,6,6]-4:C[4x5,6,6]-4:C[3]-4:C[3]-4:	C[4x5,6,6]-4:	C[4x5,6,6](C[4,3x5,6]C[4,3x5,6,6]C[4,5]H)(C[4x5,6,6]C[4,3x5,6]C[5,5,6]C)(C[3,5,5,6]C[3x5,6,6]C[3]2)(H)	C[3,5,5,6](C[3x5,6,6]C[4,3x5,6,6]C[5,5,6]H)(C[4x5,6,6]C[4,3x5,6]C[4x5,6,6]H)(C[3]C[3]HH)2	H(C[4x5,6,6]C[3,5,5,6]C[4,3x5,6]C[4x5,6,6])	C[4x5,6,6](C[4,3x5,6]C[4,3x5,6,6]C[4,5]H)(C[4x5,6,6]C[4,3x5,6]C[5,5,6]C)(C[3,5,5,6]C[3x5,6,6]C[3]2)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[3,5,5,6](C[3x5,6,6]C[4,3x5,6,6]C[5,5,6]H)(C[4x5,6,6]C[4,3x5,6]C[4x5,6,6]H)(C[3]C[3]HH)2{2|C<3>,2|C<4>,3|H<1>}	H(C[4x5,6,6]C[3,5,5,6]C[4,3x5,6]C[4x5,6,6])	117.2300	0.000	1	117.2300	0.000	1	117.2300	0.000	1	117.2300	0.000	1	117.2300	0.000	1	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[3,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[3,6,6]-4:C[5,6,6]-4:H-1:	C[5,3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[3x5,6,6]CH)(H)	C[3,6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[3,6,6]C[5,5,3x6]C[3]H)(C[3]C[3,6,6]HH)(H)	H(C[5,3x6]C[4,5,5,6,6]C[3,6,6]C[5,6,6])	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[3,6,6]C[3,6,6]C[3]H)(C[5,6,6]C[3x5,6,6]CH)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[3,6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[3,6,6]C[5,5,3x6]C[3]H)(C[3]C[3,6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,3x6]C[4,5,5,6,6]C[3,6,6]C[5,6,6])	112.1725	0.217	2	112.1725	0.047	2	112.1725	0.047	2	112.1725	0.047	2	112.1725	0.047	2	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[3,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[3,6,6]-4:H-1:	C[5,5,3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[3,6,6]C[3,6,6]C[3]H)(H)	C[3,6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[3,6,6]C[5,3x6]C[3]H)(C[3]C[3,6,6]HH)(H)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[3,6,6])	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,6,6]C[4,3x5]C[5,6,6]H)(C[3,6,6]C[3,6,6]C[3]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[3,6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[3,6,6]C[5,3x6]C[3]H)(C[3]C[3,6,6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[3,6,6])	111.6640	0.000	1	111.6640	0.000	1	111.6640	0.000	1	111.6640	0.000	1	111.6640	0.000	1	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:H-1:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[3,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]Si)(H)	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[3,5,6,6]C[6,6]H)(H)	H(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]Si)(H){2|Si<4>,2|C<3>,2|H<1>}	C[3,5,6,6](C[3,5,6,6]C[5,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[3,5,6,6]C[6,6]H)(H){2|Si<4>,2|C<3>,2|H<1>}	H(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])	115.5410	0.000	1	115.5410	0.000	1	115.5410	0.000	1	115.5410	0.000	1	114.9680	0.246	3	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3,5,6,6]	H	6:4:4:1:	4:4:4:1:	4:	C[5x3,6x5,21x6]-6:C[5,5,6,6]-4:C[3,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[3,6,6]-4:C[3,5,6,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(H)	C[3,5,6,6](C[5,5,6,6]C[5x3,6x5,21x6]C[5,5,6,6]H)(C[3,6,6]C[5x3,5x5,22x6]C[3,5,6,6]H)(C[3,5,6,6]C[5,5,6,6]C[3,6,6]C)(H)	H(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]C[5,5,6,6])	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]H)(H){1|C<4>,1|C<6>,6|H<1>,9|B<6>}	C[3,5,6,6](C[5,5,6,6]C[5x3,6x5,21x6]C[5,5,6,6]H)(C[3,6,6]C[5x3,5x5,22x6]C[3,5,6,6]H)(C[3,5,6,6]C[5,5,6,6]C[3,6,6]C)(H){2|C<6>,2|H<1>,8|B<6>}	H(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]C[5,5,6,6])	114.6660	0.000	1	114.6660	0.000	1	114.6660	0.000	1	114.6660	0.000	1	114.9680	0.246	3	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3,5,6,6]	H	6:4:4:1:	4:4:4:4:	4:	C[5x3,6x5,21x6]-6:C[5,5,6,6]-4:C[3,5,6,6]-4:H-1:	C[5,5,6,6]-4:C[3,6,6]-4:C[3,5,6,6]-4:C-4:	C[5,5,6,6]-4:	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]C)(H)	C[3,5,6,6](C[5,5,6,6]C[5x3,6x5,21x6]C[5,5,6,6]H)(C[3,6,6]C[5x3,5x5,22x6]C[3,5,6,6]H)(C[3,5,6,6]C[5,5,6,6]C[3,6,6]H)(CH3)	H(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]C[5,5,6,6])	C[5,5,6,6](C[5x3,6x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5,5,6,6]C[5x3,5x5,22x6]C[5,5,6,6]H)(C[3,5,6,6]C[3,5,6,6]C[3,6,6]C)(H){1|C<6>,7|H<1>,9|B<6>}	C[3,5,6,6](C[5,5,6,6]C[5x3,6x5,21x6]C[5,5,6,6]H)(C[3,6,6]C[5x3,5x5,22x6]C[3,5,6,6]H)(C[3,5,6,6]C[5,5,6,6]C[3,6,6]H)(CH3){2|C<6>,2|H<1>,8|B<6>}	H(C[5,5,6,6]C[5x3,6x5,21x6]C[3,5,6,6]C[5,5,6,6])	114.6970	0.000	1	114.6970	0.000	1	114.6970	0.000	1	114.6970	0.000	1	114.9680	0.246	3	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5,6]-4:C[3,5,6]-4:C[5,6,6]-3:H-1:	C[5,5,6,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]C)(C[3,5,6]C[3,5,6]C[3]H)(C[5,6,6]C[5,5,6,6]O)(H)	C[3,5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[3,5,6]C[3x5,6]C[3]H)(C[3]C[3,5,6]HH)(H)	H(C[5,5,6,6]C[3,5,6]C[3x5,6]C[5,6,6])	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]C)(C[3,5,6]C[3,5,6]C[3]H)(C[5,6,6]C[5,5,6,6]O)(H){3|C<4>,5|H<1>}	C[3,5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[3,5,6]C[3x5,6]C[3]H)(C[3]C[3,5,6]HH)(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,5,6,6]C[3,5,6]C[3x5,6]C[5,6,6])	116.4615	0.063	2	116.4615	0.004	2	116.4615	0.004	2	116.4615	0.004	2	116.4615	0.004	2	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5,5,6]-4:C[5,5,3x6]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3,5,5]-4:C[3,5]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)	C[3,5,5,6](C[5,5,6]C[5,5,3x6]C[5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[3,5,5]C[3,5]C[5,5]O)(C[3,5]C[3,5,5]C[5]H)	H(C[5,5,6]C[3,5,5,6]C[5,5,3x6]C[5])	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[3,5,5,6](C[5,5,6]C[5,5,3x6]C[5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[3,5,5]C[3,5]C[5,5]O)(C[3,5]C[3,5,5]C[5]H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[5,5,6]C[3,5,5,6]C[5,5,3x6]C[5])	110.2335	0.364	2	110.2335	0.133	2	110.2335	0.133	2	112.9502	9.887	4	112.9502	9.887	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3,5,5]-4:C[3,5]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[3,5,5,6](C[5,5,6]C[5,5,3x6]C[5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[3,5,5]C[3,5]C[5,5]O)(C[3,5]C[3,5,5]C[5]H)	H(C[5,5,6]C[3,5,5,6]C[5,5,6]C[5,6])	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[3,5,5,6](C[5,5,6]C[5,5,3x6]C[5]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[3,5,5]C[3,5]C[5,5]O)(C[3,5]C[3,5,5]C[5]H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[5,5,6]C[3,5,5,6]C[5,5,6]C[5,6])	115.6670	0.078	2	115.6670	0.006	2	115.6670	0.006	2	112.9502	9.887	4	112.9502	9.887	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,5]-4:C[5,3x6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,3x6]C[5,3x6]C[6]2)(C[5,6]C[5,6]H)(H)	C[3,5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(C[3]C[3]HH)2	H(C[5,5,6]C[3,5,5]C[5,3x6]C[5,6])	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,3x6]C[5,3x6]C[6]2)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|C<3>,8|H<1>}	C[3,5,5](C[5,5,6]C[5,3x6]C[5,6]H)2(C[3]C[3]HH)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6]C[3,5,5]C[5,3x6]C[5,6])	115.9870	0.223	2	115.9870	0.050	2	115.9870	0.050	2	115.5725	0.698	13	114.9349	3.429	15	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,5]-4:C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(H)	C[3,5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[3]C[3]HH)2	H(C[5,5,6]C[3,5,5]C[5,5,6]C[5,6])	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,8|H<1>}	C[3,5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[3]C[3]HH)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[3,5,5]C[5,5,6]C[5,6])	116.0490	0.000	1	116.0490	0.000	1	116.0490	0.000	1	115.5725	0.698	13	114.9349	3.429	15	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H)	C[3,5,5](C[5,5,6]C[5,6]2H)2(C[3]C[3]HH)2	H(C[5,5,6]C[3,5,5]C[5,6]2)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]H)(H){1|C<3>,7|H<1>}	C[3,5,5](C[5,5,6]C[5,6]2H)2(C[3]C[3]HH)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[3,5,5]C[5,6]2)	115.9397	0.130	3	115.9397	0.017	3	115.8565	0.031	6	115.5725	0.698	13	114.9349	3.429	15	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	C[3,5,5](C[5,5,6]C[5,6]2H)2(C[3]C[3]HH)2	H(C[5,5,6]C[3,5,5]C[5,6]2)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[3,5,5](C[5,5,6]C[5,6]2H)2(C[3]C[3]HH)2{1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[3,5,5]C[5,6]2)	115.7733	0.201	3	115.7733	0.041	3	115.8565	0.031	6	115.5725	0.698	13	114.9349	3.429	15	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H)	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,9|H<1>}	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	113.0380	0.000	1	113.0380	0.000	1	113.0380	0.000	1	115.5725	0.698	13	114.9349	3.429	15	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]C[6a]H)(N[5,6]N[5,6]C)(H)	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[3]C[3]HH)2	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]C[6a]H)(N[5,6]N[5,6]C)(H){3|C<3>,7|H<1>}	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[3]C[3]HH)2{3|C<3>,3|H<1>}	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	115.1760	0.000	1	115.1760	0.000	1	115.0975	0.012	2	115.5725	0.698	13	114.9349	3.429	15	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]HH)(N[5,6]N[5,6]C)(H)	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[3]C[3]HH)2	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]HH)(N[5,6]N[5,6]C)(H){2|C<3>,6|H<1>}	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[3]C[3]HH)2{3|C<3>,3|H<1>}	H(C[5,5,6]C[3,5,5]C[5,6]N[5,6])	115.0190	0.000	1	115.0190	0.000	1	115.0975	0.012	2	115.5725	0.698	13	114.9349	3.429	15	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,5]	H	4:4:3:1:	4:4:4:4:	4:	C[5,5,6]-4:C[3,5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]H)(H)	C[3,5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[3]C[3]HH)2	H(C[5,5,6]C[3,5,5]C[5,5,6]C[5,6])	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]H)(H){2|C<3>,2|C<4>,7|H<1>}	C[3,5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(C[3]C[3]HH)2{1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[3,5,5]C[5,5,6]C[5,6])	116.0480	0.000	1	116.0480	0.000	1	116.0480	0.000	1	115.5725	0.698	13	114.9349	3.429	15	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[3x5,6]-4:C[3,5,5]-4:C[6]-4:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:	C[5,5,6](C[3x5,6]C[5,5]O[5,5]O[6])(C[3,5,5]C[3,5,5]2C[6a])(C[6]C[6]HH)(H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5,6]C[3x5,6]C[6]H)(C[6a]C[6a]2)	H(C[5,5,6]C[3,5,5]C[3x5,6]C[6])	C[5,5,6](C[3x5,6]C[5,5]O[5,5]O[6])(C[3,5,5]C[3,5,5]2C[6a])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5,6]C[3x5,6]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[5,5,6]C[3,5,5]C[3x5,6]C[6])	110.7905	0.028	2	110.7905	0.001	2	110.7905	0.001	2	110.7905	0.001	2	114.9349	3.429	15	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]C)(H)	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]C)(H){1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	115.2180	0.006	2	115.2180	0.000	2	115.2180	0.000	2	115.7467	0.373	4	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[3,5,6]-4:N[3]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H)	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]N[3]H)(O[5,5]C[5,5,6])(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H){1|H<1>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	116.2755	0.040	2	116.2755	0.002	2	116.2755	0.002	2	115.7467	0.373	4	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	3:4:2:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H)	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HH)(H)	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]HH)(H){1|C<4>,2|C<3>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(H)	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H)	H(C[5,5,6]C[5,6,6a]C[3,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(H){2|H<1>,3|C<3>}	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]O[3]H)(O[3]C[3,5,6])(H){4|C<3>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]N[5,5])	116.0570	0.000	1	116.0570	0.000	1	116.0570	0.000	1	116.0570	0.000	1	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H)	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]CH)(H)	H(C[5,5,6]C[5,6,6a]C[3,5,6]N[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H){3|C<3>,4|H<1>}	C[3,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]CH)(H){1|H<1>,3|C<3>}	H(C[5,5,6]C[5,6,6a]C[3,5,6]N[5,5])	119.1645	0.115	2	119.1645	0.013	2	119.1645	0.013	2	119.1645	0.013	2	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:2:3:1:	4:4:4:4:	4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]H)(C[3]C[3,5,6]CH)(CF3)	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]H)(C[3]C[3,5,6]CH)(CF3){1|C<3>,1|C<4>,1|H<1>}	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	115.5655	0.023	2	115.5655	0.001	2	115.5655	0.001	2	115.5655	0.001	2	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H)	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H){1|Br<1>,1|H<1>,2|C<4>}	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	114.1300	0.000	1	114.9170	1.239	2	116.4067	3.378	4	116.4067	3.378	4	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H)	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(H){1|Cl<1>,1|H<1>,2|C<4>}	C[3,5,6](C[3,5,6]C[3x5,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	115.7040	0.000	1	114.9170	1.239	2	116.4067	3.378	4	116.4067	3.378	4	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H)	C[3,5,6](C[3,5,6]C[5,5,6,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H)	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(H){2|C<4>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6,6]O[3]H)(C[5,5,6]C[5,6]O[5,5]H)(O[3]C[3,5,6])(H){2|C<4>,2|H<1>}	H(C[5,5,6]C[3,5,6]C[5,6]O[5,5])	117.8965	0.128	2	117.8965	0.016	2	116.4067	3.378	4	116.4067	3.378	4	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H)	C[3,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]CC)(H)	H(C[5,5,6]C[3,5,6]C[5,5,6]O[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]CC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5,6]O[5,5])	114.7715	0.073	2	114.7715	0.005	2	114.7715	0.005	2	114.7715	0.005	2	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H)	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(H)	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]O)(H){1|C<3>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(H){1|N<3>,1|O<1>,3|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.6380	0.000	1	115.6380	0.000	1	115.6380	0.000	1	116.7485	2.466	2	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:3:1:	4:4:2:1:	4:	C[3,5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]N[5,6]H)(O[3]C[3,5,6])(H)	H(C[5,5,6]C[3,5,6]C[5,5]N[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]O[3]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){1|O<1>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]O[3]H)(C[5,5,6]C[5,5]N[5,6]H)(O[3]C[3,5,6])(H){2|C<3>,3|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]N[5,6])	117.8590	0.000	1	117.8590	0.000	1	117.8590	0.000	1	116.7485	2.466	2	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]CH)(H)	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,4|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]CH)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.6415	0.045	2	115.6415	0.002	2	115.6415	0.002	2	115.6415	0.002	2	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]CH)(CCHO)	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]CH)(CCHO){1|C<3>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.5270	0.000	1	115.5270	0.000	1	115.3790	0.044	2	115.6137	0.187	3	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]CH)(CH3)	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]CH)(CH3){1|C<3>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.2310	0.000	1	115.2310	0.000	1	115.3790	0.044	2	115.6137	0.187	3	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]HH)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,7|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]HH)2{1|C<3>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	116.0830	0.000	1	116.0830	0.000	1	116.0830	0.000	1	115.6137	0.187	3	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:4:1:	4:3:4:4:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C[3]-4:C[3]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[3]C[6a]C[3]O)(C[3]C[3]HH)	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[3]C[6a]C[3]O)(C[3]C[3]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	114.9860	0.000	1	114.9860	0.000	1	114.9860	0.000	1	114.9860	0.000	1	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[3,5,6](C[3,5,6]C[5,5,6]O[3]C)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(CCHH)	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]O[3]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]O[3]C)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(CCHH){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.4906	0.101	5	115.4906	0.010	5	115.4906	0.010	5	115.4906	0.010	5	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[3,5,6]-4:N[3]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[3,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H)	H(C[5,5,6]C[3,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,3|H<1>}	C[3,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3,5,6]C[5,5,6]N[3]H)(N[3]C[3,5,6]S)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5,6]C[5,5])	114.8125	0.009	2	114.8125	0.000	2	114.8125	0.000	2	115.4070	0.485	4	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,5,6]-4:N[3]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[3,5,6](C[3,5,6]C[5,5,6]N[3]H)(C[5,5,6]C[5,5]C[5,6]H)(N[3]C[3,5,6]S)(H)	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]N[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|S<4>,4|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]N[3]H)(C[5,5,6]C[5,5]C[5,6]H)(N[3]C[3,5,6]S)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	116.0015	0.200	2	116.0015	0.040	2	116.0015	0.040	2	115.4070	0.485	4	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[3,5,6]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[6]-3:O[3]-2:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6])	H(C[5,5,6]C[3,5,6]C[5,5,6]2)	C[5,5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(H){2|O<1>,3|C<3>,4|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	H(C[5,5,6]C[3,5,6]C[5,5,6]2)	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[3,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[3,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]C[6a]H)(H)	H(C[5,5,6]C[3,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[3,5,6]C[5,5,6]C[3]H)(C[3]C[3,5,6]C[6a]H)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5,6]C[5,5])	115.3835	0.030	2	115.3835	0.001	2	115.3835	0.001	2	115.1468	0.293	13	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[3,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[3,5,6](C[3,5,6]C[5,5,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,6]C[3,5,6]N[6]2)(H)	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3,6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|N<3>,4|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,6]C[3,5,6]N[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.5770	0.040	4	115.5770	0.002	4	115.5770	0.002	4	115.1468	0.293	13	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]HH)(H)	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(H){6|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	114.2780	0.000	1	114.2780	0.000	1	114.6858	0.398	5	115.1468	0.293	13	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]HH)(H)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]HH)(H)	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]C[6a]C)(C[5,6]C[5,6]HH)(H){2|C<3>,6|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	114.2300	0.366	2	114.2300	0.134	2	114.6858	0.398	5	115.1468	0.293	13	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[3]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]C[3,5]H)(H)	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]C[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,5|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]C[3]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3]C[3,5,6]C[3,5]H)(H){4|C<4>,5|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.3455	0.083	2	115.3455	0.007	2	114.6858	0.398	5	115.1468	0.293	13	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,5,6]-4:P[3]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]P[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[3,5,6](C[3,5,6]C[5,5,6]P[3]H)(C[5,5,6]C[5,5]C[5,6]H)(P[3]C[3,5,6]CW)(H)	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5,6]P[3]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|W<6>,4|H<1>}	C[3,5,6](C[3,5,6]C[5,5,6]P[3]H)(C[5,5,6]C[5,5]C[5,6]H)(P[3]C[3,5,6]CW)(H){1|C<4>,5|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	115.2025	0.011	2	115.2025	0.000	2	115.2025	0.000	2	115.1468	0.293	13	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3,5,6]-4:C[5,6]-4:C[3x5]-4:H-1:	C[5,5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(C[3x5]C[5,5]2H)(H)	C[3,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[6]O[6]O)	H(C[5,5,6]C[3,5,6]C[3x5]C[5,6])	C[5,5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(C[3x5]C[5,5]2H)(H){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C[3,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,6]C[3,5,6]C[3x5]C[5,6])	113.7930	0.000	1	113.7930	0.000	1	113.7930	0.000	1	113.7930	0.000	1	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:C[3]-4:	C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]HH)2	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	C[5,5,6](C[3,5,6]C[5,6]C[3]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,8|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]HH)2{1|C<4>,5|H<1>}	H(C[5,5,6]C[3,5,6]C[5,5]C[5,6])	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	115.5283	1.730	49	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]O[3]H)(H)	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(H)	H(C[5,5,6]C[5,5,6]2C[3,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]O[3]H)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,5,6]C[5,5,6]2C[3,5])	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	108.9822	8.159	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]C[3]H)(H)	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]Br2)(H)	H(C[5,5,6]C[5,5,6]2C[3,5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[3,5]C[3,5]C[3]H)(H){2|Br<1>,1|C<3>,7|H<1>}	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]Br2)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[5,5,6]2C[3,5])	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	108.9822	8.159	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5]	H	4:4:4:1:	4:4:4:3:	4:	C[5,5,6]-4:C[5,5,6]-4:C[3,5]-4:H-1:	C[5,5,6]-4:C[3]-4:C[3]-4:C[5]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[3,5]C[3]2C[5])(H)	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3]C[3]HH)2(C[5]C[5]H)	H(C[5,5,6]C[5,5,6]2C[3,5])	C[5,5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,5,6]C[5,5,6]C[5]H)(C[3,5]C[3]2C[5])(H){1|C<3>,2|C<4>,8|H<1>}	C[3,5](C[5,5,6]C[5,5,6]2H)(C[3]C[3]HH)2(C[5]C[5]H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[5,5,6]2C[3,5])	110.2370	0.000	1	110.2370	0.000	1	110.2370	0.000	1	110.2370	0.000	1	108.9822	8.159	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[3,5]	H	4:4:4:1:	6:4:4:4:	4:	C[3,5]-4:C[5,5,6]-4:C[5,5,6]-4:H-1:	Nb[3x3,5]-6:C[3,3]-4:C[5,5,6]-4:C-4:	C[5,5,6]-4:	C[5,5,6](C[3,5]Nb[3x3,5]C[3,3]C)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	C[3,5](Nb[3x3,5]C[3,3]2N[3]N[5]N)(C[3,3]Nb[3x3,5]C[3,3]H)(C[5,5,6]C[5,5,6]2H)(CH3)	H(C[5,5,6]C[5,5,6]2C[3,5])	C[5,5,6](C[3,5]Nb[3x3,5]C[3,3]C)(C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(H){1|N<2>,1|N<3>,3|C<4>,6|H<1>}	C[3,5](Nb[3x3,5]C[3,3]2N[3]N[5]N)(C[3,3]Nb[3x3,5]C[3,3]H)(C[5,5,6]C[5,5,6]2H)(CH3){1|C<3>,2|H<1>,5|C<4>}	H(C[5,5,6]C[5,5,6]2C[3,5])	104.7020	0.000	1	104.7020	0.000	1	104.7020	0.000	1	104.7020	0.000	1	108.9822	8.159	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	3:3:4:1:	4:4:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(CNO)	H(C[5,5]C[3,5,5]C[5,6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(CNO){4|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]2)	115.4280	0.000	1	115.4280	0.000	1	115.0153	0.134	3	115.0613	0.098	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	3:3:4:1:	4:4:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COO)	H(C[5,5]C[3,5,5]C[5,6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COO){4|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]2)	114.7310	0.000	1	114.7310	0.000	1	115.0153	0.134	3	115.0613	0.098	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	3:3:4:1:	4:4:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COS)	H(C[5,5]C[3,5,5]C[5,6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H){3|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(COS){4|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]2)	114.8870	0.000	1	114.8870	0.000	1	115.0153	0.134	3	115.0613	0.098	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	3:3:4:1:	4:4:4:3:	4:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:P-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2P)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[5,6a]C[3,5]P)(C[5,5]C[5,6a]2H)(PC[6a]2)	H(C[5,5]C[3,5,5]C[5,6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2P)(H){1|P<3>,3|H<1>,4|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[5,6a]C[3,5]P)(C[5,5]C[5,6a]2H)(PC[6a]2){4|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]2)	115.1990	0.000	1	115.1990	0.000	1	115.1990	0.000	1	115.0613	0.098	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	3:4:3:1:	3:3:4:2:	4:	N[5,5]-3:C[3,5,5]-4:C-3:H-1:	P[3,3,5]-3:P[3,3,5]-3:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](N[5,5]P[3,5,5]C[6a])(C[3,5,5]P[3,3,5]2O)(CHN)(H)	C[3,5,5](P[3,3,5]P[3,3,5]P[3,5,5])2(C[5,5]N[5,5]CH)(OP[5])	H(C[5,5]C[3,5,5]N[5,5]C)	C[5,5](N[5,5]P[3,5,5]C[6a])(C[3,5,5]P[3,3,5]2O)(CHN)(H){2|C<3>}	C[3,5,5](P[3,3,5]P[3,3,5]P[3,5,5])2(C[5,5]N[5,5]CH)(OP[5]){1|C<3>}	H(C[5,5]C[3,5,5]N[5,5]C)	106.2190	0.000	1	106.2190	0.000	1	106.2190	0.000	1	106.2190	0.000	1	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[3,5,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3,5]-4:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2H)(C[5]C[5]C)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5]H)(C[3,5]C[3,5]C[5]H)(H)	H(C[5,5]C[3,5,5]C[5,6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2H)(C[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5]H)(C[3,5]C[3,5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]C[5])	115.8690	0.000	1	115.8690	0.000	1	115.8690	0.000	1	115.8690	0.000	1	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	3:4:3:1:	4:4:4:3:	4:	C[5,6a]-3:C[3,5,5]-4:C[5,6]-3:H-1:	C[3,5]-4:C[5,5]-4:C[3,5]-4:C-3:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5,6]C[5,6]C[6])(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5,6]H)(C[3,5]C[3,5]C[5,6]H)(COS)	H(C[5,5]C[3,5,5]C[5,6a]C[5,6])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5,5]C[3,5]2C)(C[5,6]C[5,6]C[6])(H){2|H<1>,5|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[5,5]C[5,6a]C[5,6]H)(C[3,5]C[3,5]C[5,6]H)(COS){1|C<2>,3|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]C[5,6])	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:3:3:1:	4:4:4:3:	4:	C[3,5,5]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])2(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2)	H(C[5,5]C[3,5,5]C[5,6a]2)	C[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])2(H){3|H<1>,7|C<3>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[5,6a]C[3,5]H)(C[5,5]C[5,6a]2H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[5,5]C[3,5,5]C[5,6a]2)	114.7560	0.000	1	114.7560	0.000	1	114.7560	0.000	1	114.7560	0.000	1	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[3,5,5]-4:C[3,5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]C[5,5])(C[5,5]C[3x5]HH)(H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|Rh<5>,4|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]C[5,5])(C[5,5]C[3x5]HH)(H){1|Rh<5>,4|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	113.5932	3.337	4	113.5932	11.138	4	113.5932	11.138	4	113.5932	11.138	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3,5,5]-4:H-1:H-1:	C[3,4,5]-4:C[3,4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,4,5]2H)2(H)2	C[3,5,5](C[3,4,5]C[3,4,5]2C)(C[3,4,5]C[3,4,5]2H)(C[5,5]C[3,5,5]HH)(H)	H(C[5,5]C[3,5,5]2H)	C[5,5](C[3,5,5]C[3,4,5]2H)2(H)2{1|C<3>,3|H<1>}	C[3,5,5](C[3,4,5]C[3,4,5]2C)(C[3,4,5]C[3,4,5]2H)(C[5,5]C[3,5,5]HH)(H){3|H<1>}	H(C[5,5]C[3,5,5]2H)	111.7165	2.003	2	111.7165	4.013	2	112.7717	3.051	4	112.4373	0.459	27	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3,5,5]-4:H-1:H-1:	C[3,4,5]-4:C[3,4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,4,5]2H)2(H)2	C[3,5,5](C[3,4,5]C[3,4,5]2H)2(C[5,5]C[3,5,5]HH)(H)	H(C[5,5]C[3,5,5]2H)	C[5,5](C[3,5,5]C[3,4,5]2H)2(H)2{1|C<3>,3|H<1>}	C[3,5,5](C[3,4,5]C[3,4,5]2H)2(C[5,5]C[3,5,5]HH)(H){1|C<3>,2|H<1>}	H(C[5,5]C[3,5,5]2H)	113.8270	0.829	2	113.8270	0.687	2	112.7717	3.051	4	112.4373	0.459	27	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C[6a])(C[3,5,5]C[3,5,5]C[5,5]C)(C[5,5]C[3x5]HH)(H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C[6a])(C[3,5,5]C[3,5,5]C[5,5]C)(C[5,5]C[3x5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	112.4355	0.029	2	112.4355	0.001	2	112.4434	0.131	12	112.4373	0.459	27	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]HH)(H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|N<4>,2|C<3>,3|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]HH)(H){1|N<4>,2|C<3>,2|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	112.3895	0.006	2	112.4450	0.160	10	112.4434	0.131	12	112.4373	0.459	27	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]HH)(H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{1|Rh<6>,5|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]HH)(H){1|Rh<6>,4|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	112.3703	0.189	6	112.4450	0.160	10	112.4434	0.131	12	112.4373	0.459	27	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]HH)(H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(H)2{2|C<4>,4|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]HH)(H){2|C<4>,3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	112.7245	1.032	2	112.4450	0.160	10	112.4434	0.131	12	112.4373	0.459	27	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[4x5]-4:H-1:H-1:	C[3,5,5,6]-4:C[3,5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]C)(C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)(C[5,5]C[4x5]HH)(H)	H(C[5,5]C[3,5,5]C[4x5]H)	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]C)(C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)(C[5,5]C[4x5]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[3,5,5]C[4x5]H)	112.3840	0.000	1	112.3840	0.000	1	112.1970	0.055	7	112.4373	0.459	27	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[4x5]-4:H-1:H-1:	C[3,5,5,6]-4:C[3,5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)2(C[5,5]C[4x5]HH)(H)	H(C[5,5]C[3,5,5]C[4x5]H)	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)2(C[5,5]C[4x5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[5,5]C[3,5,5]C[4x5]H)	112.4735	0.021	2	112.1658	0.057	6	112.1970	0.055	7	112.4373	0.459	27	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,5]-4:C[4x5]-4:H-1:H-1:	C[3,5,5,6]-4:C[3,5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)2(C[5,5]C[4x5]HH)(H)	H(C[5,5]C[3,5,5]C[4x5]H)	C[5,5](C[3,5,5]C[3,5,5,6]2H)(C[4x5]C[3x5,6]2H)(H)2{2|C<6>,4|H<1>}	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)2(C[5,5]C[4x5]HH)(H){2|C<6>,3|H<1>}	H(C[5,5]C[3,5,5]C[4x5]H)	112.0120	0.030	4	112.1658	0.057	6	112.1970	0.055	7	112.4373	0.459	27	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3x5]-4:C[3,5,5]-4:H-1:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(H)2	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5]HH)(H)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(H)2{1|C<3>,3|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5]HH)(H){1|C<3>,2|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	112.6735	0.032	2	112.6735	0.001	2	112.6735	0.001	2	112.4373	0.459	27	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4x5]-4:C[3,5,5]-4:H-1:H-1:	C[3,5,5,6]-4:C[3,5,5,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4x5]C[3x5,6]C[4x5,6]H)(C[3,5,5]C[3,5,5,6]2H)(H)2	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)(C[3,5,5,6]C[3,5,5,6]C[4x5,6]H)(C[5,5]C[4x5]HH)(H)	H(C[5,5]C[3,5,5]C[4x5]H)	C[5,5](C[4x5]C[3x5,6]C[4x5,6]H)(C[3,5,5]C[3,5,5,6]2H)(H)2{3|C<4>,3|H<1>}	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)(C[3,5,5,6]C[3,5,5,6]C[4x5,6]H)(C[5,5]C[4x5]HH)(H){2|H<1>,3|C<4>}	H(C[5,5]C[3,5,5]C[4x5]H)	112.3365	0.194	2	112.3365	0.038	2	112.3365	0.038	2	112.4373	0.459	27	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2C)(C[3x5]C[5,5]2H)(H)2	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C[6a])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]HH)(CH3)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]C[3,5,5]2C)(C[3x5]C[5,5]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C[6a])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	112.2930	0.079	2	112.2930	0.006	2	112.2930	0.006	2	112.2930	0.006	2	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:1:1:	6:4:4:4:	4:	C[3,5,5]-4:C[3x5]-4:H-1:H-1:	B[5x3,5x5,20x6]-6:C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]2)(C[3x5]C[5,5]2H)(H)2	C[3,5,5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]HH)	H(C[5,5]C[3,5,5]C[3x5]H)	C[5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]2)(C[3x5]C[5,5]2H)(H)2{1|C<3>,1|O<2>,2|C<6>,3|B<6>,4|H<1>}	C[3,5,5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]HH){1|C<3>,1|O<2>,2|S<2>,5|B<6>,6|H<1>}	H(C[5,5]C[3,5,5]C[3x5]H)	112.0790	0.013	2	112.0790	0.000	2	112.0790	0.000	2	112.0790	0.000	2	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:O-2:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(OH)(H)	C[3,5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]C[5,5])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]HO)(H)	H(C[5,5]C[3,5,5]C[3x5]O)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(OH)(H){1|B<6>,1|C<3>,4|H<1>}	C[3,5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]C[5,5])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]HO)(H){1|C<3>,2|C<6>,3|B<6>,4|H<1>}	H(C[5,5]C[3,5,5]C[3x5]O)	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:2:1:	4:4:4:3:	4:	C[3,5,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2C[6])(C[5]C[5]HH)(O[5]C[5])(H)	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]O[5]H)(C[6]C[6]2)	H(C[5,5]C[3,5,5]C[5]O[5])	C[5,5](C[3,5,5]C[3,5]2C[6])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]O[5]H)(C[6]C[6]2){1|O<1>,2|C<4>,7|H<1>}	H(C[5,5]C[3,5,5]C[5]O[5])	112.5580	0.193	4	112.5580	0.037	4	112.5580	0.037	4	112.5580	0.037	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:C-3:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CC[6a]O)(H)	C[3,5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]C[5,5])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]CH)(H)	H(C[5,5]C[3,5,5]C[3x5]C)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CC[6a]O)(H){1|B<6>,1|O<2>,4|H<1>}	C[3,5,5](C[3,5,5]B[5x3,5x5,20x6]C[3,5,5]C[5,5])(C[3,5,5]C[3,5,5]C[5,5]H)(C[5,5]C[3x5]CH)(H){1|O<2>,2|C<6>,3|B<6>,4|H<1>}	H(C[5,5]C[3,5,5]C[3x5]C)	108.9340	0.000	1	108.9340	0.000	1	109.8300	1.606	2	110.8300	2.942	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:C-3:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(COO)(H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]CH)(H)	H(C[5,5]C[3,5,5]C[3x5]C)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(COO)(H){1|C<3>,1|N<4>,4|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]CH)(H){1|C<3>,1|N<4>,3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]C)	110.7260	0.000	1	110.7260	0.000	1	109.8300	1.606	2	110.8300	2.942	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,5]-4:C[5]-4:N[5]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]N[5]H)(H)	H(C[5,5]C[3,5,5]C[5]N[5])	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|N<2>,3|H<1>}	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]N[5]H)(H){1|C<4>,1|N<2>,4|H<1>}	H(C[5,5]C[3,5,5]C[5]N[5])	113.0990	0.000	1	113.0990	0.000	1	113.0990	0.000	1	110.8300	2.942	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[3,5,5]-4:C[5a]-3:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(C[5a]C[5a,6a]C[5a])(H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5]C[5a]H)(H)	H(C[5,5]C[3,5,5]C[3x5]C[5a])	C[5,5](C[3x5]C[5,5]O[5,5]H)(C[3,5,5]C[3,5,5]2H)(C[5a]C[5a,6a]C[5a])(H){1|N<3>,2|C<3>,5|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5]C[5a]H)(H){2|C<3>,3|H<1>}	H(C[5,5]C[3,5,5]C[3x5]C[5a])	110.5610	0.000	1	110.5610	0.000	1	110.5610	0.000	1	110.8300	2.942	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:3:1:	4:4:4:2:	4:	C[3,5,5]-4:C[5]-4:C[5]-3:H-1:	C[3,5,5,6]-4:C[3,5]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5,6]C[3,5]O)(C[5]C[5,5,6]HH)(C[5]C[5]H)(H)	C[3,5,5](C[3,5,5,6]C[5,5,6]2C[3,5])(C[3,5]C[3,5,5,6]C[5]H)(C[5,5]C[5]2H)(OC)	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5,5,6]C[3,5]O)(C[5]C[5,5,6]HH)(C[5]C[5]H)(H){2|C<4>,3|H<1>}	C[3,5,5](C[3,5,5,6]C[5,5,6]2C[3,5])(C[3,5]C[3,5,5,6]C[5]H)(C[5,5]C[5]2H)(OC){3|C<4>,6|H<1>}	H(C[5,5]C[3,5,5]C[5]2)	113.6400	0.239	2	113.6400	0.057	2	113.6400	0.057	2	113.6400	0.057	2	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,5]-4:C[3x5]-4:C-4:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CCHH)(H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]CH)(H)	H(C[5,5]C[3,5,5]C[3x5]C)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CCHH)(H){1|C<4>,5|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(C[5,5]C[3x5]CH)(H){1|C<4>,4|H<1>}	H(C[5,5]C[3,5,5]C[3x5]C)	107.4560	0.296	2	107.4560	0.087	2	107.4560	0.087	2	109.9733	8.557	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H)	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(H){1|O<1>,2|O<2>,4|H<1>}	H(C[5,5]C[3,5,5]C[5]2)	112.4905	0.489	2	112.4905	0.239	2	112.4905	0.239	2	109.9733	8.557	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[3,5,5]-4:C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[3,5]-4:C[3]-4:C[5]-3:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H)	C[3,5,5](C[5,5]C[5,6]C[5]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5,6]O)	H(C[5,5]C[3,5,5]C[5,6]C[5])	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,5|H<1>}	C[3,5,5](C[5,5]C[5,6]C[5]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5,6]O){3|H<1>,4|C<4>}	H(C[5,5]C[3,5,5]C[5,6]C[5])	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(CCHH)	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]2H)(CCHH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,5]C[3,5,5]C[5]2)	111.6220	0.173	2	111.6220	0.030	2	111.6220	0.030	2	111.3645	0.213	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[3,5,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5,5]C[5]2H)(C[5]C[5]HO)	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[3,5,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5,5]C[5]2H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5]C[3,5,5]C[5]2)	110.6920	0.000	1	110.6920	0.000	1	111.1070	0.344	2	111.3645	0.213	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5,5]-4:C[5]-4:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[3,5,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5,5]C[5]2H)(C[5]N[5]CC)	H(C[5,5]C[3,5,5]C[5]2)	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[3,5,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5,5]C[5]2H)(C[5]N[5]CC){1|C<3>,6|H<1>}	H(C[5,5]C[3,5,5]C[5]2)	111.5220	0.000	1	111.5220	0.000	1	111.1070	0.344	2	111.3645	0.213	4	112.2936	3.654	63	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:3:4:1:	4:4:2:1:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	C[3,5](C[5,5]N[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,5|H<1>}	C[3,5](C[5,5]N[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[3,5]N[5,5]C[5])	113.0940	0.000	1	113.0940	0.000	1	113.0940	0.000	1	113.0940	0.000	1	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:3:4:1:	4:4:4:1:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[5,5]C[3]C)(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]HH)(H)	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[3]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[3,5](C[3,5]C[5,5]C[3]C)(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,5]C[3,5]N[5,5]C[5])	109.3740	0.062	2	109.3740	0.004	2	109.3740	0.004	2	109.3740	0.004	2	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:3:4:1:	4:4:4:3:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	H(C[5,5]C[3,5]N[5,5]C[5])	109.2115	0.180	2	109.2115	0.033	2	109.1304	0.022	5	109.1304	0.022	5	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:3:4:1:	4:4:4:3:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){3|C<4>,4|H<1>,7|C<3>}	H(C[5,5]C[3,5]N[5,5]C[5])	108.9980	0.000	1	109.0763	0.017	3	109.1304	0.022	5	109.1304	0.022	5	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:3:4:1:	4:4:4:3:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,8|C<3>}	H(C[5,5]C[3,5]N[5,5]C[5])	109.1155	0.158	2	109.0763	0.017	3	109.1304	0.022	5	109.1304	0.022	5	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:3:4:1:	4:4:4:4:	4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C-4:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(CH3)	H(C[5,5]C[3,5]N[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[5,5]N[5,5]C[5]H)(C[3]C[3,5]CH)(CH3){2|C<4>,2|H<1>,4|C<3>}	H(C[5,5]C[3,5]N[5,5]C[5])	109.0490	0.000	1	109.0490	0.000	1	109.0490	0.000	1	109.0490	0.000	1	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5]-4:C[3x5]-4:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:O[3]-2:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]O[3]H)(C[3x5]C[5,5]2C)(O[5]C[5])(H)	C[3,5](C[3,5]C[5,5]O[3]C)(C[5,5]C[3x5]O[5]H)(O[3]C[3,5])(H)	H(C[5,5]C[3,5]C[3x5]O[5])	C[5,5](C[3,5]C[3,5]O[3]H)(C[3x5]C[5,5]2C)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[3,5](C[3,5]C[5,5]O[3]C)(C[5,5]C[3x5]O[5]H)(O[3]C[3,5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[3,5]C[3x5]O[5])	111.3900	0.000	1	111.3900	0.000	1	111.3900	0.000	1	110.4085	1.927	2	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:2:1:	4:4:2:1:	4:	C[3x5,6]-4:C[3,5]-4:O[5]-2:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]H)(O[5]C[5,6])(H)	C[3,5](C[5,5]C[3x5,6]O[5]H)(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H)	H(C[5,5]C[3x5,6]C[3,5]O[5])	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]H)(O[5]C[5,6])(H){4|H<1>,6|C<4>}	C[3,5](C[5,5]C[3x5,6]O[5]H)(C[3,5]C[5,5]O[3]C)(O[3]C[3,5])(H){1|H<1>,4|C<4>}	H(C[5,5]C[3x5,6]C[3,5]O[5])	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	110.4085	1.927	2	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[3,5]-4:C[3]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[3,5](C[5,5]C[5,5]O[5]H)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(H)	H(C[5,5]C[3,5]C[5,5]O[5])	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[5,5]C[5,5]O[5]H)(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[5,5]C[3,5]C[5,5]O[5])	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:2:1:	4:4:4:2:	4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[3,5]-4:C[3]-4:O-2:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H)	C[3,5](C[5,5]C[5,5]O[5]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(OSi)	H(C[5,5]C[3,5]C[5,5]O[5])	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H){1|F<1>,1|N<3>,7|H<1>}	C[3,5](C[5,5]C[5,5]O[5]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(OSi){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3,5]C[5,5]O[5])	111.0550	0.000	1	110.3055	1.124	2	110.3055	1.124	2	111.7674	2.076	5	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:2:1:	4:4:4:2:	4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[3,5]-4:C[3]-4:O-2:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H)	C[3,5](C[5,5]C[5,5]O[5]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(OSi)	H(C[5,5]C[3,5]C[5,5]O[5])	C[5,5](C[3,5]C[3,5]C[3]O)(C[5,5]C[5]2O)(O[5]C[5])(H){1|N<3>,8|H<1>}	C[3,5](C[5,5]C[5,5]O[5]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(OSi){1|O<2>,2|C<4>,2|H<1>}	H(C[5,5]C[3,5]C[5,5]O[5])	109.5560	0.000	1	110.3055	1.124	2	110.3055	1.124	2	111.7674	2.076	5	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:2:1:	4:4:4:2:	4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[3]-4:C[3]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]FF)(C[3]C[3]HH)(O[5]C[5])	H(C[5,5]C[3,5]C[5,5]O[5])	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|C<4>,2|F<1>,3|H<1>}	C[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]FF)(C[3]C[3]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[3,5]C[5,5]O[5])	112.6320	0.000	1	112.6320	0.000	1	112.7420	0.029	3	111.7674	2.076	5	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:2:1:	4:4:4:2:	4:	C[3,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[3]-4:C[3]-4:O[5]-2:	C[5,5]-4:	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H)	C[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]HH)(C[3]C[3]HO)(O[5]C[5])	H(C[5,5]C[3,5]C[5,5]O[5])	C[5,5](C[3,5]C[3]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]HH)(C[3]C[3]HO)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[5,5]C[3,5]C[5,5]O[5])	112.7970	0.198	2	112.7970	0.039	2	112.7420	0.029	3	111.7674	2.076	5	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:3:1:	4:4:3:1:	4:	C[3x5]-4:C[3,5]-4:N[5]-3:H-1:	C[5,5]-4:C[3]-4:N[3,5]-3:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[3,5]N[3,5]C[3]H)(N[5]C[5]C)(H)	C[3,5](C[5,5]C[3x5]N[5]H)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,5]C[3])(H)	H(C[5,5]C[3,5]C[3x5]N[5])	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[3,5]N[3,5]C[3]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[3,5](C[5,5]C[3x5]N[5]H)(C[3]N[3,5]C[6a]H)(N[3,5]C[5,5]C[3])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5,5]C[3,5]C[3x5]N[5])	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:3:1:	4:4:4:1:	4:	C[3x5]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5,6]-4:C[5,5]-4:C[3]-4:H-1:	C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[3,5]C[3,5,6]C[3]H)(C[5]C[5]C)(H)	C[3,5](C[3,5,6]C[5,5,6]C[3]C[6])(C[5,5]C[3x5]C[5]H)(C[3]C[3,5,6]HH)(H)	H(C[5,5]C[3,5]C[3x5]C[5])	C[5,5](C[3x5]C[5,5,6]C[5,5]H)(C[3,5]C[3,5,6]C[3]H)(C[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3,5,6]C[5,5,6]C[3]C[6])(C[5,5]C[3x5]C[5]H)(C[3]C[3,5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,5]C[3,5]C[3x5]C[5])	111.4090	0.000	1	111.4090	0.000	1	111.4090	0.000	1	111.4090	0.000	1	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5]-4:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[3]-4:C[3]-4:C[5]-4:	C[5,5]-4:	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]2H)(C[5]C[5]O)(H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]C[3]HH)2(C[5]C[5]HH)	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]2H)(C[5]C[5]O)(H){10|H<1>,2|C<3>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]C[3]HH)2(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5,5]C[3,5]C[5,5]C[5])	111.5600	0.000	1	111.5600	0.000	1	111.5600	0.000	1	111.5600	0.000	1	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)(H){1|O<1>,3|H<1>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|C<3>,1|O<2>,5|H<1>}	H(C[5,5]C[3,5]C[5,5]C[5])	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:4:1:	4:4:2:3:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:C-3:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2H)(C[5]O[5]HO)(H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(COO)	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2H)(C[5]O[5]HO)(H){1|C<4>,1|O<1>,2|H<1>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(COO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[5,5]C[3,5]C[5,5]C[5])	109.4000	0.000	1	109.4000	0.000	1	109.4000	0.000	1	109.4000	0.000	1	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:4:1:	4:4:2:4:	4:	C[3,5]-4:C[5,5]-4:C[3x5]-4:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]O[5]2)(C[3x5]C[5,5]2C)(H)	C[3,5](C[5,5]C[3x5]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3)	H(C[5,5]C[3,5]C[3x5]C[5,5])	C[5,5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]O[5]2)(C[3x5]C[5,5]2C)(H){1|O<2>,3|C<4>,5|H<1>}	C[3,5](C[5,5]C[3x5]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,3|C<4>,3|O<2>}	H(C[5,5]C[3,5]C[3x5]C[5,5])	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	110.8690	1.277	2	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:4:1:	4:4:2:4:	4:	C[3x5,6]-4:C[3,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[5,5]-4:	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]C)(C[5,5]C[5]O[5]2)(H)	C[3,5](C[5,5]C[3x5,6]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3)	H(C[5,5]C[3x5,6]C[3,5]C[5,5])	C[5,5](C[3x5,6]C[5,5,6]C[5,5]C[6])(C[3,5]C[3,5]O[3]C)(C[5,5]C[5]O[5]2)(H){1|O<2>,4|C<4>,7|H<1>}	C[3,5](C[5,5]C[3x5,6]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,3|C<4>,3|O<2>}	H(C[5,5]C[3x5,6]C[3,5]C[5,5])	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	110.8690	1.277	2	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[3,5]-4:C[3]-4:H-1:	C[5,5]-4:	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(H)	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]O[5]2H)(C[5]C[5]HH)(H){1|O<1>,3|H<1>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(H){1|C<3>,1|O<2>,3|H<1>}	H(C[5,5]C[3,5]C[5,5]C[5])	110.9500	0.000	1	110.9500	0.000	1	110.9500	0.000	1	110.9500	0.000	1	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:4:1:	4:4:4:2:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[5,5]-4:	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3])	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3]){1|O<2>,2|C<3>,4|H<1>}	H(C[5,5]C[3,5]C[5,5]C[5])	112.1380	0.000	2	110.4235	3.919	4	110.4235	3.919	4	110.4235	3.919	4	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,5]	C[3,5]	H	4:4:4:1:	4:4:4:2:	4:	C[3,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[5,5]-4:	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3])	H(C[5,5]C[3,5]C[5,5]C[5])	C[5,5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5]O[5]H)(C[5]C[5]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]O[3]CH)(C[5]C[5]CO)(O[3]C[3]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,5]C[3,5]C[5,5]C[5])	108.7090	0.000	2	110.4235	3.919	4	110.4235	3.919	4	110.4235	3.919	4	110.5789	2.054	29	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3,5,6]-4:C[6]-4:H-1:	C[3,6,6]-4:C[3,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5a,6,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6]C[6]HH)(H)	C[3,5,6](C[3,6,6]C[5a,6,6]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(H)	H(C[5,6,6]C[3,5,6]C[5,3x6]C[6])	C[5,6,6](C[5,3x6]C[5a,6,6]C[5,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[3,5,6](C[3,6,6]C[5a,6,6]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6,6]C[5,3x6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[3,5,6]C[5,3x6]C[6])	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3,6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[5,5,6]-4:C[3,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[3]-4:O[3]-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H)	C[3,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(C[3]O[3]CH)(O[3]C[3])	H(C[5,6,6]C[3,6,6]C[5,5,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	C[3,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(C[3]O[3]CH)(O[3]C[3]){2|H<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[3,6,6]C[5,5,6]N[5,6])	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	109.1540	0.000	1	107.9015	3.138	2	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[6,6]-4:C[5,6,6]-4:C[3,6]-4:C[3]-4:	C[5,6,6]-4:	C[5,6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H)	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)	H(C[5,6,6]C[3,6,6]C[5,6]2)	C[5,6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[3,6,6]C[5,6]2)	106.6490	0.000	1	106.6490	0.000	1	106.6490	0.000	1	106.6490	0.000	1	107.9015	3.138	2	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3,6]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6,6]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[3,6,6]-4:O[3]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,5,6]HO)(H)	C[3,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(H)	H(C[5,6,6]C[5,5,6,6]C[3,6]C[5,6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,5,6]HO)(H){2|H<1>,5|C<4>}	C[3,6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(H){2|O<2>,3|H<1>,6|C<4>}	H(C[5,6,6]C[5,5,6,6]C[3,6]C[5,6])	107.6100	0.301	2	107.6100	0.091	2	107.6100	0.091	2	107.6100	0.091	2	107.5990	0.052	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6,6]-4:C[3,6]-4:H-1:	C[5,6,6]-4:C[3]-4:C[6]-3:O[3]-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3]C[6]O[3])(H)	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3]O[3]HH)(C[6]C[6]H)(O[3]C[3])	H(C[5,6,6]C[5,5,6]C[5,6,6]C[3,6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3]C[6]O[3])(H){1|O<1>,3|H<1>,6|C<3>}	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3]O[3]HH)(C[6]C[6]H)(O[3]C[3]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[3,6])	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	107.5990	0.052	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[3,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6,6]-4:C[3,6]-4:H-1:	C[5,6,6]-4:C[3,6]-4:C[3]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3,6]C[3]C)(H)	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]ClH)(CH3)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[3,6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[3,6]C[3,6]C[3]C)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]ClH)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[3,6])	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	107.5990	0.052	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,5,6]	H	4:3:3:1:	4:4:3:4:	4:	C[3,5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[5,6a]-3:C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H)	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)	H(C[5,6]C[3,5,5,6]C[6]N[5])	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3,5,5,6](C[3,5,6]C[3,5]C[6]N[5])(C[3,5]C[3,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	H(C[5,6]C[3,5,5,6]C[6]N[5])	110.7540	0.000	1	110.7540	0.000	1	110.7540	0.000	1	110.7540	0.000	1	112.7274	1.219	9	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,5,5,6]-4:C[3]-4:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]C)(H)2	C[3,5,5,6](C[3,5,5,6]C[5,6]2C[3])(C[3]C[3,5,5,6]HH)(C[5,6]C[5,6,6]HH)2	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]C)(H)2{2|C<4>,8|H<1>}	C[3,5,5,6](C[3,5,5,6]C[5,6]2C[3])(C[3]C[3,5,5,6]HH)(C[5,6]C[5,6,6]HH)2{1|C<2>,1|C<4>,5|H<1>}	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	113.0945	0.881	4	113.0945	0.776	4	112.9741	0.767	8	112.9741	0.767	8	112.7274	1.219	9	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,5,5,6]-4:C[3]-4:C[5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[3,5,5,6](C[3,5,5,6]C[5,6]2C[3])(C[3]C[3,5,5,6]HH)(C[5,6]C[5,6,6]HH)2	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	C[5,6](C[3,5,5,6]C[3,5,5,6]C[5,6]C[3])(C[5,6,6]C[5,6]C[6,6]H)(H)2{2|C<4>,8|H<1>}	C[3,5,5,6](C[3,5,5,6]C[5,6]2C[3])(C[3]C[3,5,5,6]HH)(C[5,6]C[5,6,6]HH)2{1|C<2>,1|C<4>,5|H<1>}	H(C[5,6]C[3,5,5,6]C[5,6,6]H)	112.8538	0.987	4	112.8538	0.975	4	112.9741	0.767	8	112.9741	0.767	8	112.7274	1.219	9	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,3x6]-4:C[3,5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]O[6]O){4|C<4>,5|H<1>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	111.1320	0.004	2	111.1320	0.000	2	111.1320	0.000	2	110.9568	7.028	12	110.9410	4.305	19	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]C[5])	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	110.8732	4.492	4	110.8732	20.177	4	110.8732	20.177	4	110.9568	7.028	12	110.9410	4.305	19	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<2>,3|C<3>,5|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	110.7747	2.331	4	110.7747	5.434	4	110.9542	3.338	6	110.9568	7.028	12	110.9410	4.305	19	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]O)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]O){2|C<3>,7|H<1>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	111.3130	0.013	2	111.3130	0.000	2	110.9542	3.338	6	110.9568	7.028	12	110.9410	4.305	19	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,3x6]-4:C[3,5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|O<1>,4|C<4>,4|H<1>}	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	110.8248	0.077	5	110.8248	0.006	5	110.8248	0.006	5	110.9139	0.028	7	110.9410	4.305	19	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	C[5,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[6])(C[5,6,6]C[5,6]C[6,6]H)(H)2{4|C<3>,5|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,5|H<1>}	H(C[5,6]C[3,5,6,6]C[5,6,6]H)	111.1365	0.052	2	111.1365	0.003	2	111.1365	0.003	2	110.9139	0.028	7	110.9410	4.305	19	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:3:3:1:	4:4:4:3:	4:	C[3,5,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H)	H(C[5,6]C[3,5,6]C[5,6a]N[6])	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){4|C<3>,6|H<1>}	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[3,5,6]C[5,6a]N[6])	111.5590	0.000	1	111.5590	0.000	1	111.5590	0.000	1	111.5590	0.000	1	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:3:4:1:	4:4:4:2:	4:	C[3,5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(N[5,6]C[5,6]C[6])(C[6]C[6]HO)(H)	C[3,5,6](C[5,6]N[5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6])	H(C[5,6]C[3,5,6]N[5,6]C[6])	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(N[5,6]C[5,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[3,5,6](C[5,6]N[5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[3,5,6]N[5,6]C[6])	111.5520	0.219	2	111.5520	0.048	2	111.5520	0.048	2	111.5520	0.048	2	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:3:4:1:	9:3:4:1:	4:	C[3,5,6]-4:C[5,6]-3:P-4:H-1:	I[8x3,5]-9:C[3,3,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]O)(PC3)(H)	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5])(C[5,6]C[5,6]HP)(H)	H(C[5,6]C[3,5,6]C[5,6]P)	C[5,6](C[3,5,6]C[3,3,6]I[8x3,5]H)(C[5,6]C[3,5,6]O)(PC3)(H){1|H<1>,6|C<4>}	C[3,5,6](I[8x3,5]C[3,3,5]5C[3,3,6]2C[3,5,6])(C[3,3,6]C[3,3,6]I[8x3,5])(C[5,6]C[5,6]HP)(H){1|O<1>,2|H<1>,5|C<4>}	H(C[5,6]C[3,5,6]C[5,6]P)	104.5960	0.000	1	104.5960	0.000	1	104.5960	0.000	1	104.5960	0.000	1	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	H(C[5,6]C[3,5,6]C[5,3x6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[3,5,6]C[5,3x6]H)	111.2570	0.013	2	111.1333	0.021	4	111.1333	0.021	4	111.1447	0.008	10	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H)	H(C[5,6]C[3,5,6]C[5,3x6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{4|C<4>,6|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(H){2|C<4>,4|H<1>}	H(C[5,6]C[3,5,6]C[5,3x6]H)	111.0095	0.022	2	111.1333	0.021	4	111.1333	0.021	4	111.1447	0.008	10	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,3x6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]HH)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	111.1830	0.061	2	111.1830	0.004	2	111.1830	0.004	2	111.1447	0.008	10	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C[6a])(C[3,6,6]C[4,5,3x6]C[3,5,6]C)(C[5,6]C[5,6,6]HH)(H)	H(C[5,6]C[3,5,6]C[5,6,6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C[6a])(C[3,6,6]C[4,5,3x6]C[3,5,6]C)(C[5,6]C[5,6,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	111.1370	0.030	4	111.1370	0.001	4	111.1370	0.001	4	111.1447	0.008	10	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2	C[3,5,6](C[3,6,6]C[4,5,3x6]C[3,5,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2)	H(C[5,6]C[3,5,6]C[5,6,6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,5,3x6]C[5,6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3,5,6](C[3,6,6]C[4,5,3x6]C[3,5,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	110.9500	0.059	4	110.9500	0.003	4	110.9807	0.005	6	110.9807	0.005	6	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,6,6]C[5,6]H)(H)2	C[3,5,6](C[3,6,6]C[3,5,6]C[4,6,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2)	H(C[5,6]C[3,5,6]C[5,6,6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[4,6,6]C[5,6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	C[3,5,6](C[3,6,6]C[3,5,6]C[4,6,6]C)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	111.0420	0.038	2	111.0420	0.001	2	110.9807	0.005	6	110.9807	0.005	6	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(CH3)	H(C[5,6]C[3,5,6]C[5,3x6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(CH3){2|C<4>,4|H<1>}	H(C[5,6]C[3,5,6]C[5,3x6]H)	110.7310	0.000	1	110.7647	0.002	3	110.7647	0.002	3	110.4128	1.742	11	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(CH3)	H(C[5,6]C[3,5,6]C[5,3x6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{3|C<4>,7|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,3x6]HH)(CH3){2|C<4>,4|H<1>}	H(C[5,6]C[3,5,6]C[5,3x6]H)	110.7815	0.057	2	110.7647	0.002	3	110.7647	0.002	3	110.4128	1.742	11	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[3,6,6]-4:N[3,5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6,6]N[3,5,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3)	H(C[5,6]C[3,5,6]C[5,3x6]H)	C[5,6](C[3,5,6]C[3,6,6]N[3,5,6]C)(C[5,3x6]C[3x6]C[5,6]C[6])(H)2{3|C<4>,7|H<1>}	C[3,5,6](C[3,6,6]N[3,5,6]C[6,6]H)(N[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,3x6]HH)(CH3){2|C<4>,4|H<1>}	H(C[5,6]C[3,5,6]C[5,3x6]H)	110.9185	0.030	2	110.9185	0.001	2	110.9185	0.001	2	110.4128	1.742	11	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,6,6]-4:H-1:H-1:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[6,6,6a]C[5,6]H)(H)2	C[3,5,6](C[3,6,6]C[6,6,6a]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(CH3)	H(C[5,6]C[3,5,6]C[5,6,6]H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[6,6,6a]C[5,6]H)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[3,5,6](C[3,6,6]C[6,6,6a]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6,6]HH)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]H)	111.1230	0.008	2	111.1230	0.000	2	111.1230	0.000	2	110.4128	1.742	11	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5,6]-4:C[3,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:C[3]-4:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[3,5,6]C[5,5,6]C[3]2)(H)2	C[3,5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(C[3]C[3]Cl2)(C[3]C[3]ClH)	H(C[5,6]C[3,5,6]C[3x5,6]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[3,5,6]C[5,5,6]C[3]2)(H)2{3|Cl<1>,1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(C[3]C[3]Cl2)(C[3]C[3]ClH){1|C<3>,1|C<4>,3|H<1>}	H(C[5,6]C[3,5,6]C[3x5,6]H)	109.5410	2.040	4	109.5410	4.160	4	109.5410	4.160	4	110.4128	1.742	11	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,5]-4:N[3,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]N[3,6]H)(C[6]O[6]HH)(O[5]C[5])(H)	C[3,5,6](C[3,5]N[3,6]C[5]H)(N[3,6]C[3,5]S[6])(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[3,5,6]C[6]O[5])	C[5,6](C[3,5,6]C[3,5]N[3,6]H)(C[6]O[6]HH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|S<4>}	C[3,5,6](C[3,5]N[3,6]C[5]H)(N[3,6]C[3,5]S[6])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|H<1>,3|O<1>}	H(C[5,6]C[3,5,6]C[6]O[5])	109.9500	0.000	1	109.9500	0.000	1	109.9500	0.000	1	110.8057	0.550	3	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:2:1:	4:3:4:1:	4:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,6]-4:N[3,5]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]N[3,5]H)(C[6]O[6]CH)(O[5]C[5])(H)	C[3,5,6](C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]C[5])(C[5,6]C[6]O[5]H)(H)	H(C[5,6]C[3,5,6]C[6]O[5])	C[5,6](C[3,5,6]C[3,6]N[3,5]H)(C[6]O[6]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	C[3,5,6](C[3,6]N[3,5]C[6]H)(N[3,5]C[3,6]C[5])(C[5,6]C[6]O[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[5,6]C[3,5,6]C[6]O[5])	111.2335	0.052	2	111.2335	0.003	2	111.2335	0.003	2	110.8057	0.550	3	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5,6]-4:C[6,6]-4:O[5]-2:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]O[6]H)(C[5,6]C[6,6]O[5]H)(H)	H(C[5,6]C[3,5,6]C[6,6]O[5])	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6,6]C[6,6]O[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]O[6]H)(C[5,6]C[6,6]O[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[5,6]C[3,5,6]C[6,6]O[5])	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3])	H(C[5,6]C[3,5,6]C[5]O[6])	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[3,5,6]C[5]O[6])	111.0469	0.408	8	111.0283	0.148	9	111.6048	3.455	10	111.6048	3.455	10	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3])	H(C[5,6]C[3,5,6]C[5]O[6])	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HH)(O[6]C[6,6])(H){1|O<2>,3|C<4>,4|H<1>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3]){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[3,5,6]C[5]O[6])	110.8800	0.000	1	111.0283	0.148	9	111.6048	3.455	10	111.6048	3.455	10	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:2:1:	4:4:4:2:	4:	C[3,5,6]-4:C[5]-4:O[6]-2:H-1:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HO)(O[6]C[6,6])(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3])	H(C[5,6]C[3,5,6]C[5]O[6])	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[5]C[5]HO)(O[6]C[6,6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]O[6]H)(C[3]O[3]HH)(O[3]C[3]){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[3,5,6]C[5]O[6])	116.7930	0.000	1	116.7930	0.000	1	111.6048	3.455	10	111.6048	3.455	10	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[3,5,6]-4:C[6]-4:O[5]-2:H-1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6]C[6]HO)(O[5]C[5])(H)	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[6]O[5]H)(C[3]C[3,5]HH)(C[6]C[6]O)	H(C[5,6]C[3,5,6]C[6]O[5])	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6]C[6]HO)(O[5]C[5])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[6]O[5]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[3,5,6]C[6]O[5])	107.7900	0.000	1	107.7900	0.000	1	107.7900	0.000	1	107.7900	0.000	1	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	3:4:4:4:	4:	C[3,5,6]-4:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:C[3]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3]N[5]C)(C[5,6]C[5]N[6]H)(C[3]C[3,5]HH)	H(C[5,6]C[3,5,6]C[5]N[6])	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3]N[5]C)(C[5,6]C[5]N[6]H)(C[3]C[3,5]HH){1|N<2>,3|C<3>,4|H<1>}	H(C[5,6]C[3,5,6]C[5]N[6])	110.7790	0.000	1	110.7790	0.000	1	110.7790	0.000	1	110.7790	0.000	1	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6,6]-4:C-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,6,6]C[5,6]H)(CC[6a]O)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C[6a])(C[3,6,6]C[3,5,6]C[4,6,6]C)(C[5,6]C[5,6,6]CH)(H)	H(C[5,6]C[3,5,6]C[5,6,6]C)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[4,6,6]C[5,6]H)(CC[6a]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C[6a])(C[3,6,6]C[3,5,6]C[4,6,6]C)(C[5,6]C[5,6,6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]C)	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	109.7234	1.496	7	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6,6]-4:N[5]-3:H-1:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[6,6,6a]C[5,6]H)(N[5]C[5]2)(H)	C[3,5,6](C[3,6,6]C[6,6,6a]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6]C)(C[5,6]C[5,6,6]N[5]H)(H)	H(C[5,6]C[3,5,6]C[5,6,6]N[5])	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[6,6,6a]C[5,6]H)(N[5]C[5]2)(H){2|C<3>,3|C<4>,7|H<1>}	C[3,5,6](C[3,6,6]C[6,6,6a]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6]C)(C[5,6]C[5,6,6]N[5]H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]N[5])	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	109.7234	1.496	7	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[3,5,6]C[5]C[6])	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[3,5,6]C[5]C[6])	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	109.7234	1.496	7	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(H)	H(C[5,6]C[3,5,6]C[6]N[5])	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(H){1|N<2>,2|C<4>,4|H<1>}	H(C[5,6]C[3,5,6]C[6]N[5])	110.5680	0.233	2	110.5680	0.054	2	110.4523	0.067	3	109.7234	1.496	7	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(H)	H(C[5,6]C[3,5,6]C[6]N[5])	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|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[5,6]C[6]N[5]H)(H){1|C<4>,1|S<4>,6|H<1>}	H(C[5,6]C[3,5,6]C[6]N[5])	110.2210	0.000	1	110.2210	0.000	1	110.4523	0.067	3	109.7234	1.496	7	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,3x6]-4:C[3,5,6]-4:C[6a]-3:H-1:	C[3,6,6]-4:C[3,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5a,6,6]C[5,6,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6a]C[6a]2)(H)	C[3,5,6](C[3,6,6]C[5a,6,6]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6,6]H)(C[5,6]C[5,3x6]C[6a]H)(H)	H(C[5,6]C[3,5,6]C[5,3x6]C[6a])	C[5,6](C[5,3x6]C[5a,6,6]C[5,6,6]C[6])(C[3,5,6]C[3,5,6]C[3,6,6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[3,5,6](C[3,6,6]C[5a,6,6]C[3,5,6]H)(C[3,5,6]C[3,6,6]C[5,6,6]H)(C[5,6]C[5,3x6]C[6a]H)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[3,5,6]C[5,3x6]C[6a])	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	109.7234	1.496	7	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3,5,6]-4:C[5,6,6]-4:C[5a]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[5a]N[5a]S[5a])(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[5a]H)(CC[6a]O)	H(C[5,6]C[3,5,6]C[5,6,6]C[5a])	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[5a]N[5a]S[5a])(H){3|H<1>,4|C<3>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[5a]H)(CC[6a]O){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]C[5a])	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	108.9023	6.855	3	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]2)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(CC[6a]O)	H(C[5,6]C[3,5,6]C[5,6,6]C[6])	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[3,5,6]C[5,6,6]C[6])	107.0340	0.000	1	107.0340	0.000	1	107.0340	0.000	1	108.9023	6.855	3	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]C[6a])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(C[6a]C[6a]2)	H(C[5,6]C[3,5,6]C[6]N[5])	C[5,6](C[3,5,6]C[3,5]C[3,6]C[6a])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5,6]C[6]N[5]H)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,7|H<1>}	H(C[5,6]C[3,5,6]C[6]N[5])	111.8950	0.000	1	111.8950	0.000	1	111.8950	0.000	1	108.9023	6.855	3	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:C[3]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]HH)2	H(C[5,6]C[3,5,6]C[5,5,6]C)	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H){1|C<3>,8|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]HH)2{1|C<3>,4|H<1>}	H(C[5,6]C[3,5,6]C[5,5,6]C)	109.8260	0.000	1	109.3105	0.531	2	109.3105	0.531	2	109.7468	3.504	6	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:C[3]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H)	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]HH)2	H(C[5,6]C[3,5,6]C[5,5,6]C)	C[5,6](C[3,5,6]C[5,5,6]C[3]2)(C[5,5,6]C[5,5]C[5,6]H)(CN[5]O)(H){1|C<4>,9|H<1>}	C[3,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]HH)2{1|C<4>,5|H<1>}	H(C[5,6]C[3,5,6]C[5,5,6]C)	108.7950	0.000	1	109.3105	0.531	2	109.3105	0.531	2	109.7468	3.504	6	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]C)(C[6a]C[6a]2)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[6a]H)(CH3)	H(C[5,6]C[3,5,6]C[5,6,6]C[6a])	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]C)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]H)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]C[6a]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[3,5,6]C[5,6,6]C[6a])	112.7880	0.000	1	112.7880	0.000	1	112.7880	0.000	1	109.7468	3.504	6	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]2C[5])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[3,5,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]O[6]2)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)	H(C[5,6]C[3,5,6]C[5]C[6])	C[5,6](C[3,5,6]C[3,6]2C[5])(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,3|O<2>,5|H<1>}	C[3,5,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]O[6]2)(C[5,6]C[5]C[6]H)(C[5]C[5]HO){1|C<2>,1|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[3,5,6]C[5]C[6])	108.0415	0.028	2	108.0415	0.001	2	108.0415	0.001	2	109.7468	3.504	6	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5,6]-4:C[6]-4:C[5]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[3,5,6]C[5]C[6])	C[5,6](C[3,5,6]C[3,5]C[3,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<3>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]C[3,5,6]C[5]C[6])	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	109.7468	3.504	6	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:4:1:	3:4:4:2:	4:	C[3,5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[3,5]-4:C[5,6]-4:O[3]-2:	C[5,6]-4:	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5])	H(C[5,6]C[3,5,6]C[5]C[6])	C[5,6](C[3,5,6]C[6,6a]C[3,5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,4|C<3>}	C[3,5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]H)(O[3]C[3,5]){5|C<3>,5|H<1>}	H(C[5,6]C[3,5,6]C[5]C[6])	108.3645	0.029	2	108.3645	0.001	2	108.3645	0.001	2	108.3645	0.001	2	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:4:1:	4:4:3:2:	4:	C[3,5,6]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3,6]-4:C[5]-3:O[3]-2:	C[5,6]-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)	C[3,5,6](C[5,6]C[5,5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,6])	H(C[5,6]C[3,5,6]C[5,5,6]C[6])	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>}	C[3,5,6](C[5,6]C[5,5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,6]){1|N<3>,4|C<4>,4|H<1>}	H(C[5,6]C[3,5,6]C[5,5,6]C[6])	106.1720	0.000	1	106.1720	0.000	1	106.1720	0.000	1	106.1720	0.000	1	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[3,5,6,6]-4:C[3,3x6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(CH3)(H)	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]CH)(H)	H(C[5,6]C[3,5,6]C[5,6,6]C)	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	C[3,5,6](C[3,5,6,6]C[3,3x6]C[5,6]C[6])(C[3,3x6]C[3,5,6,6]C[6,6]2)(C[5,6]C[5,6,6]CH)(H){2|C<3>,3|C<4>,7|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]C)	108.0833	0.080	3	108.0833	0.006	3	108.0833	0.006	3	109.4150	7.098	4	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5,6]-4:C[5,6,6]-4:C-4:H-1:	C[3,5,6]-4:C[3,6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]C)(CHHO)(H)	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]CH)(H)	H(C[5,6]C[3,5,6]C[5,6,6]C)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]C)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[3,5,6](C[3,5,6]C[3,6,6]C[5,6]C)(C[3,6,6]C[3,5,6]C[6,6]H)(C[5,6]C[5,6,6]CH)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[3,5,6]C[5,6,6]C)	113.4100	0.000	1	113.4100	0.000	1	113.4100	0.000	1	109.4150	7.098	4	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[3,5,6]-4:C[3,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[3,6]C[3,6]O[3]H)(C[5]C[5]CC)(H)	C[3,5,6](C[5,6]C[3,6]C[5]H)(C[3,6]C[6]O[3]C)(C[5]C[5]CC)(O[3]C[3,6])	H(C[5,6]C[3,5,6]C[3,6]C[5])	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[3,6]C[3,6]O[3]H)(C[5]C[5]CC)(H){3|H<1>,4|C<4>}	C[3,5,6](C[5,6]C[3,6]C[5]H)(C[3,6]C[6]O[3]C)(C[5]C[5]CC)(O[3]C[3,6]){1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[3,5,6]C[3,6]C[5])	105.0060	0.000	1	105.0060	0.000	1	105.0060	0.000	1	106.7163	1.945	4	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[3,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[5,6]-4:	C[5,6](C[3,5,6]C[5,6,6]C[3,6]O[3])(C[5,6,6]C[6,6]O[5,6]H)(C[6]C[6,6]HH)(H)	C[3,5,6](C[5,6,6]O[5,6]C[6]O[6])(C[5,6]C[5,6,6]C[6]H)(C[3,6]C[6,6]O[3]C)(O[3]C[3,6])	H(C[5,6]C[3,5,6]C[5,6,6]C[6])	C[5,6](C[3,5,6]C[5,6,6]C[3,6]O[3])(C[5,6,6]C[6,6]O[5,6]H)(C[6]C[6,6]HH)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[3,5,6](C[5,6,6]O[5,6]C[6]O[6])(C[5,6]C[5,6,6]C[6]H)(C[3,6]C[6,6]O[3]C)(O[3]C[3,6]){2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[3,5,6]C[5,6,6]C[6])	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	106.7163	1.945	4	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[3,5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(C[5]C[5]HH)(H)	C[3,5,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5]CO)(O[3]C[3,6])	H(C[5,6]C[3,5,6]C[5,6]C[5])	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[3,5,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5]C[5]CO)(O[3]C[3,6]){1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[3,5,6]C[5,6]C[5])	106.2250	0.000	1	106.2250	0.000	1	106.2250	0.000	1	106.7163	1.945	4	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[3,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6,6]-4:O[3]-2:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H)	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])	H(C[5,6]C[3,5,6]C[5,6]C[6])	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|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>}	H(C[5,6]C[3,5,6]C[5,6]C[6])	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	106.7163	1.945	4	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3,5,6]-4:C[5]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[3,5,6](C[3,5]C[3]C[5]C[6])(C[5,6]C[5]C[6]H)(C[3]C[3,5]HH)(C[6]C[6]O)	H(C[5,6]C[3,5,6]C[5]C[6])	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[3,5,6](C[3,5]C[3]C[5]C[6])(C[5,6]C[5]C[6]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|O<1>,3|C<3>,5|H<1>}	H(C[5,6]C[3,5,6]C[5]C[6])	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[3,5,6]-4:C[5,6]-4:C[3]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	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)	H(C[5,6]C[3,5,6]C[5,6]C[6])	C[5,6](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){2|Cl<1>,3|C<4>,8|H<1>}	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>}	H(C[5,6]C[3,5,6]C[5,6]C[6])	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	110.1052	3.707	76	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	3:4:3:1:	4:4:4:3:	4:	C[6,6a]-3:C[3,5]-4:N[5,6]-3:H-1:	C[5,6]-4:C[3]-4:C[3,5]-4:C-3:	C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H)	C[3,5](C[5,6]C[6,6a]N[5,6]H)(C[3]C[3,5]C[5,6]C)(C[3,5]C[3]O[5]C)(COO)	H(C[5,6]C[6,6a]C[3,5]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[3]C)(N[5,6]C[6]O[5])(H){1|N<3>,2|H<1>,6|C<3>}	C[3,5](C[5,6]C[6,6a]N[5,6]H)(C[3]C[3,5]C[5,6]C)(C[3,5]C[3]O[5]C)(COO){2|C<4>,3|C<3>}	H(C[5,6]C[6,6a]C[3,5]N[5,6])	107.8980	0.000	1	107.8980	0.000	1	107.8980	0.000	1	107.8980	0.000	1	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:2:3:1:	4:4:4:2:	4:	C[3,5]-4:O[5,6]-2:C[6]-3:H-1:	C[3,5]-4:C[3,5]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[3,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	H(C[5,6]C[3,5]O[5,6]C[6])	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[3,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	H(C[5,6]C[3,5]O[5,6]C[6])	112.2505	0.131	2	112.2505	0.017	2	112.2505	0.017	2	112.2505	0.017	2	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:2:4:1:	4:4:2:1:	4:	C[3,5]-4:O[5,6]-2:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]FH)(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H)	H(C[5,6]C[3,5]O[5,6]C[6])	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]FH)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[5,6]C[3,5]O[5,6]C[6])	114.7876	1.254	5	114.7876	1.572	5	114.4779	2.195	10	114.4779	2.195	10	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:2:4:1:	4:4:2:1:	4:	C[3,5]-4:O[5,6]-2:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]HH)(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H)	H(C[5,6]C[3,5]O[5,6]C[6])	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]O[6]HH)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]O[5,6]C[6]H)(O[3]C[3,5])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6]C[3,5]O[5,6]C[6])	114.1682	1.768	5	114.1682	3.127	5	114.4779	2.195	10	114.4779	2.195	10	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:3:4:1:	4:4:4:3:	4:	C[3,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6a]-3:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[6a]C[3])(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H)	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)	H(C[5,6]C[3,5]C[5,6]C[6])	C[5,6](C[3,5]C[3,5]C[6a]C[3])(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H){4|C<3>,4|H<1>}	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2){1|O<2>,3|C<3>,5|H<1>}	H(C[5,6]C[3,5]C[5,6]C[6])	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:3:4:1:	4:4:4:4:	4:	C[3,5]-4:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C-4:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]C)(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H)	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(CCHH)	H(C[5,6]C[3,5]C[5,6]C[6])	C[5,6](C[3,5]C[3,5]C[3]C)(C[5,6]C[6,6a]C[5])(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[5,6]C[5,6]C[6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(CCHH){1|C<3>,1|O<2>,3|H<1>}	H(C[5,6]C[3,5]C[5,6]C[6])	107.9955	0.752	2	107.9955	0.565	2	107.9955	0.565	2	107.9955	0.565	2	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:3:1:	4:4:4:2:	4:	C[5,6,6]-4:C[3,5]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]C[6,6]O)(C[3,5]C[5,5,6]C[3]O[3])(C[6]C[6,6]O)(H)	C[3,5](C[5,5,6]C[5,3x6]C[5,6]C[5])(C[5,6]C[5,6,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])	H(C[5,6]C[5,6,6]C[3,5]C[6])	C[5,6](C[5,6,6]C[5,3x6]C[6,6]O)(C[3,5]C[5,5,6]C[3]O[3])(C[6]C[6,6]O)(H){2|H<1>,3|C<3>,6|C<4>}	C[3,5](C[5,5,6]C[5,3x6]C[5,6]C[5])(C[5,6]C[5,6,6]C[6]H)(C[3]O[3]HH)(O[3]C[3]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6,6]C[3,5]C[6])	111.7315	0.161	2	111.7315	0.026	2	111.7315	0.026	2	111.7315	0.026	2	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,6]2H)(O[3]C[3,5,6])(H)	H(C[5,6]C[3,5]C[5,6]2)	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(H){4|H<1>,7|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,6]2H)(O[3]C[3,5,6])(H){4|H<1>,6|C<4>}	H(C[5,6]C[3,5]C[5,6]2)	107.2730	0.000	1	107.2730	0.000	1	107.2730	0.000	1	109.9558	11.929	11	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	107.0930	0.000	1	105.2510	2.562	3	105.2510	2.562	3	109.9558	11.929	11	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]O[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|O<1>,3|C<4>,6|H<1>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	104.3300	0.185	2	105.2510	2.562	3	105.2510	2.562	3	109.9558	11.929	11	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:N[5,6]-4:C[6]-4:H-1:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(N[5,6]C[5,6]CC)(C[6]C[6]HH)(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]N[5,6]C[6]H)(O[3]C[3,5])(H)	H(C[5,6]C[3,5]N[5,6]C[6])	C[5,6](C[3,5]C[3,5]O[3]H)(N[5,6]C[5,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]N[5,6]C[6]H)(O[3]C[3,5])(H){3|H<1>,4|C<4>}	H(C[5,6]C[3,5]N[5,6]C[6])	112.3703	0.220	6	112.3703	0.049	6	112.3703	0.049	6	109.9558	11.929	11	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5,6,6]-4:C[3,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]HH)(H)	C[3,5](C[5,6]C[4,5,6,6]C[5,6]H)(C[3,5]C[5,6]C[6a]O[3])(O[3]C[3,5])(H)	H(C[5,6]C[4,5,6,6]C[3,5]C[5,6])	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[3,5](C[5,6]C[4,5,6,6]C[5,6]H)(C[3,5]C[5,6]C[6a]O[3])(O[3]C[3,5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[4,5,6,6]C[3,5]C[5,6])	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	109.9558	11.929	11	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:4:1:	4:4:3:2:	4:	C[3,5]-4:C[6]-4:C[5,6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6a]-3:O[3]-2:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[6a]O[3])(C[6]C[4,5,6,6]CH)(C[5,6]C[5,6]HH)(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[3]C[3,5])	H(C[5,6]C[3,5]C[5,6]C[6])	C[5,6](C[3,5]C[3,5]C[6a]O[3])(C[6]C[4,5,6,6]CH)(C[5,6]C[5,6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[3]C[3,5]){2|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[3,5]C[5,6]C[6])	111.1400	0.000	1	111.1400	0.000	1	111.1400	0.000	1	111.1400	0.000	1	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	103.8400	0.000	1	105.3178	3.526	5	105.3178	3.526	5	105.3811	2.610	11	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|C<3>,2|C<4>,3|O<2>,7|H<1>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(H){1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	104.4800	0.000	1	105.3178	3.526	5	105.3178	3.526	5	105.3811	2.610	11	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(H){1|O<2>,4|C<4>,8|H<1>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	106.0897	2.172	3	105.3178	3.526	5	105.3178	3.526	5	105.3811	2.610	11	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[3]-4:C[3,5]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(H)	C[3,5](C[5,6]C[5,6]C[6]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(H)	H(C[5,6]C[3,5]C[5,6]C[6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(H){1|C<1>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[3,5](C[5,6]C[5,6]C[6]H)(C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(H){1|C<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[3,5]C[5,6]C[6])	107.3190	0.000	1	107.3190	0.000	1	107.3190	0.000	1	105.3811	2.610	11	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	104.5430	0.281	2	104.4697	0.056	3	104.4697	0.056	3	105.3811	2.610	11	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(H){1|Cl<1>,1|O<1>,3|C<4>,7|H<1>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	104.3230	0.000	1	104.4697	0.056	3	104.4697	0.056	3	105.3811	2.610	11	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(H)	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(H)	H(C[5,6]C[3,5]C[5,6]C[6,6])	C[5,6](C[6,6]C[3,6]C[6,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5,5]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	C[3,5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(H){1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[3,5]C[5,6]C[6,6])	105.9375	2.235	2	105.9375	4.996	2	105.9375	4.996	2	105.3811	2.610	11	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5,6]-4:C[3,5]-4:C[6]-4:H-1:	C[5,6]-4:C[3]-4:C[3]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[3,5]C[3]2O[5])(C[6]O[6]HH)(H)	C[3,5](C[5,6]C[5,5,6]C[6]H)(C[3]C[3]HH)2(O[5]N[5,5])	H(C[5,6]C[5,5,6]C[3,5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[3,5]C[3]2O[5])(C[6]O[6]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[3,5](C[5,6]C[5,5,6]C[6]H)(C[3]C[3]HH)2(O[5]N[5,5]){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[3,5]C[6])	109.8085	0.147	4	109.8085	0.021	4	109.8085	0.021	4	109.8085	0.021	4	109.8523	14.446	45	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[3,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[3,6,6]C[5,6]O[5])	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,4|C<4>,4|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[3,6,6]C[5,6]O[5])	110.3590	0.000	1	110.3590	0.000	1	109.1193	1.628	3	109.1193	1.628	3	107.6683	3.438	6	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[3,6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)	H(C[5,6]C[3,6,6]C[5,6]O[5])	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,3|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]O[5]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[3,6,6]C[5,6]O[5])	108.4995	0.975	2	108.4995	0.951	2	109.1193	1.628	3	109.1193	1.628	3	107.6683	3.438	6	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H)	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[5,6]C[3,6,6]C[5,6]C[5])	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[5,6]C[3,6,6]C[5,6]C[5])	107.0470	0.000	1	107.0470	0.000	1	106.6075	0.386	2	106.2173	0.650	3	107.6683	3.438	6	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CC)(H)	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)	H(C[5,6]C[3,6,6]C[5,6]C[5])	C[5,6](C[3,6,6]C[3,6]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CC)(H){1|O<2>,5|C<4>,7|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>}	H(C[5,6]C[3,6,6]C[5,6]C[5])	106.1680	0.000	1	106.1680	0.000	1	106.6075	0.386	2	106.2173	0.650	3	107.6683	3.438	6	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:C[3]-4:C[6,6]-4:	C[5,6]-4:	C[5,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	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)	H(C[5,6]C[3,6,6]C[5,6]C[5])	C[5,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,4|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>}	H(C[5,6]C[3,6,6]C[5,6]C[5])	105.4370	0.000	1	105.4370	0.000	1	105.4370	0.000	1	106.2173	0.650	3	107.6683	3.438	6	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:2:2:1:	4:4:2:1:	4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	H(C[5,6]C[3,6]O[5,6]O[5])	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,4|H<1>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|F<1>,1|H<1>,2|C<4>}	H(C[5,6]C[3,6]O[5,6]O[5])	112.0690	1.034	2	112.1887	0.522	7	112.1887	0.522	7	112.1887	0.522	7	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:2:2:1:	4:4:2:1:	4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	H(C[5,6]C[3,6]O[5,6]O[5])	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,4|H<1>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5,6]C[3,6]O[5,6]O[5])	112.2366	0.711	5	112.1887	0.522	7	112.1887	0.522	7	112.1887	0.522	7	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:2:2:1:	4:4:3:1:	4:	C[3,6]-4:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:N[3]-3:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H)	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H)	H(C[5,6]C[3,6]O[5,6]O[5])	C[5,6](C[3,6]C[3,6]N[3]H)(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,5|H<1>}	C[3,6](C[5,6]O[5,6]O[5]H)(C[3,6]C[6]N[3]H)(N[3]C[3,6]H)(H){1|F<1>,1|H<1>,2|C<4>}	H(C[5,6]C[3,6]O[5,6]O[5])	111.8372	1.513	4	111.8372	2.290	4	111.8372	2.290	4	111.8372	2.290	4	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:2:4:1:	4:4:2:1:	4:	C[3,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	H(C[5,6]C[3,6]O[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|H<1>}	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5,6]C[3,6]O[5,6]C[5])	115.8550	0.000	1	112.6105	2.756	10	112.6105	2.756	10	112.6105	2.756	10	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:2:4:1:	4:4:2:1:	4:	C[3,6]-4:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	H(C[5,6]C[3,6]O[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|C<4>,2|H<1>}	C[3,6](C[5,6]O[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[3,6]O[5,6]C[5])	112.2500	1.280	9	112.6105	2.756	10	112.6105	2.756	10	112.6105	2.756	10	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:3:4:1:	4:4:2:1:	4:	C[3,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[3,6](C[5,6]N[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	H(C[5,6]C[3,6]N[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3,6](C[5,6]N[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[3,6]N[5,6]C[5])	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:3:4:1:	4:4:2:4:	4:	C[3,6]-4:C[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5]C[6])(C[5]O[5]CH)(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5]C[6])(C[5]O[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:2:1:	3:4:4:4:	4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[3]-4:C[3]-4:	C[5,6]-4:	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[3]C[3]HH)2	H(C[5,6]C[3,6]C[5,6]O[5])	C[5,6](C[3,6]C[6,6a]C[3]2)(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,8|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[3]C[3]HH)2{2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[3,6]C[5,6]O[5])	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[3]C[3,6])(H)	H(C[5,6]C[3,6]C[5,6]O[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[5,6]C[5,6]O[5]H)(O[3]C[3,6])(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[3,6]C[5,6]O[5])	109.0495	0.120	2	109.0495	0.014	2	109.0495	0.014	2	109.5487	0.986	11	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,5]N[6]H)(O[5]C[5,5])(H)	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	H(C[5,6]C[3,6]C[5,6]O[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,5]N[6]H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[5,6]C[3,6]C[5,6]O[5])	109.6430	0.000	1	109.6430	0.000	1	109.8710	0.104	2	109.5487	0.986	11	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:2:1:	4:4:2:1:	4:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	H(C[5,6]C[3,6]C[5,6]O[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[3,6](C[5,6]C[5,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[3,6]C[5,6]O[5])	110.0990	0.000	1	110.0990	0.000	1	109.8710	0.104	2	109.5487	0.986	11	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	H(C[5,6]C[5,6,6]C[3,6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[3,6]O[5])	108.8170	0.000	1	108.6200	0.019	4	108.6200	0.019	4	109.5487	0.986	11	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	H(C[5,6]C[5,6,6]C[3,6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[3,6]O[5])	108.5070	0.000	1	108.6200	0.019	4	108.6200	0.019	4	109.5487	0.986	11	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H)	H(C[5,6]C[5,6,6]C[3,6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6,6]O[3]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6,6]O[5]H)(O[3]C[3,6,6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6,6]C[3,6]O[5])	108.5780	0.051	2	108.6200	0.019	4	108.6200	0.019	4	109.5487	0.986	11	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5])(H)	C[3,6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	H(C[5,6]C[5,6,6]C[3,6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[3,6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[3,6]O[5])	110.9050	0.056	3	110.9050	0.003	3	110.9050	0.003	3	109.5487	0.986	11	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:3:1:	4:4:2:4:	4:	C[5,6,6]-4:C[3,6]-4:C[5]-3:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[3,6]C[3,6]O[3]C)(C[5]O[5]O)(H)	C[3,6](C[5,6]C[5,6,6]C[5]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(CH3)	H(C[5,6]C[5,6,6]C[3,6]C[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[3,6]C[3,6]O[3]C)(C[5]O[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[5,6]C[5,6,6]C[5]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[3,6]C[5])	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:3:1:	4:4:4:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[3,6]-4:C[3]-4:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]OO)(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]OO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5,6]C[3,6]C[5,6]C[5])	107.6590	0.000	1	107.6590	0.000	1	107.6590	0.000	1	107.6590	0.000	1	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3,6]-4:C[5,6]-4:C[5]-3:H-1:	C[3,6,6]-4:C[5,6]-4:C[3]-4:C-4:	C[5,6]-4:	C[5,6](C[3,6]C[3,6,6]C[3]C)(C[5,6]C[6]O[5]H)(C[5]C[5]C)(H)	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[3]C[3,6,6]HH)(CCHH)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6,6]C[3]C)(C[5,6]C[6]O[5]H)(C[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[6,6]C[3]C[6])(C[5,6]C[5,6]C[5]H)(C[3]C[3,6,6]HH)(CCHH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	109.6930	0.000	1	109.6930	0.000	1	109.6930	0.000	1	109.6930	0.000	1	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5,6]-4:C[3,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[3,6]C[3,6]O[3]H)(C[5]C[5]CC)(H)	C[3,6](C[5,6]C[3,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	H(C[5,6]C[3,5,6]C[3,6]C[5])	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[3,6]C[3,6]O[3]H)(C[5]C[5]CC)(H){3|H<1>,4|C<4>}	C[3,6](C[5,6]C[3,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|H<1>,1|O<2>,6|C<4>}	H(C[5,6]C[3,5,6]C[3,6]C[5])	105.0030	0.000	1	105.0030	0.000	1	105.0030	0.000	1	107.8822	6.231	4	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(H)	C[3,6](C[3,6]C[4,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(H){3|H<1>,5|C<4>}	C[3,6](C[3,6]C[4,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	108.1280	0.000	1	108.1280	0.000	1	109.5905	4.278	2	107.8822	6.231	4	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(H)	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6,6]HO)(C[5]O[5]CC)(H){1|H<1>,2|C<4>}	C[3,6](C[3,6]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[5]H)(O[3]C[3,6])(H){1|H<1>,2|O<2>,5|C<4>}	H(C[5,6]C[3,6]C[5,6]C[5])	111.0530	0.000	1	111.0530	0.000	1	109.5905	4.278	2	107.8822	6.231	4	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,4|H<1>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1	107.8822	6.231	4	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:4:1:	4:4:2:4:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]HO)(C[5]C[5]CH)(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]HO)(C[5]C[5]CH)(H){1|C<4>,4|H<1>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	111.1220	0.000	1	111.1220	0.000	1	111.1220	0.000	1	108.9965	9.036	2	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[3,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[3,6]C[3,6]O[3]C)(C[5]O[5]CH)(H)	C[3,6](C[5,6]C[5,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	H(C[5,6]C[5,5,6]C[3,6]C[5])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[3,6]C[3,6]O[3]C)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[5,6]C[5,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,5,6]C[3,6]C[5])	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	108.9965	9.036	2	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:4:1:	4:4:3:2:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3]-4:C[6]-3:O[3]-2:	C[5,6]-4:	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]CC)(C[6]C[6]C)(O[3]C[3])	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]CC)(C[6]C[6]C)(O[3]C[3]){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3,6]-4:C[3]-4:H-1:	C[5,6]-4:	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]C)(C[5]O[5]CC)(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H)	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5]C[6]C)(C[5]O[5]CC)(H){1|O<2>,3|C<4>,4|H<1>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(H){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[3,6]C[5,6]C[5])	107.7270	0.000	1	107.7270	0.000	1	107.7270	0.000	1	107.7270	0.000	1	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3,6]	H	4:4:4:1:	4:4:4:2:	4:	C[3,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[5,6]-4:	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3])	H(C[5,6]C[3,6]C[5,6]C[5])	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<4>,2|O<2>,8|H<1>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]HH)(C[6]C[6]HO)(O[3]C[3]){4|C<4>,4|H<1>}	H(C[5,6]C[3,6]C[5,6]C[5])	106.3330	0.000	1	106.3330	0.000	1	106.3330	0.000	1	106.3330	0.000	1	110.4551	5.100	47	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[3]-4:H-1:	C[5,6]-4:C[3]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H)	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H)	H(C[5,6]C[5,5,6]C[5,6]C[3])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H){2|H<1>,5|C<3>}	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,5,6]C[5,6]C[3])	108.0540	0.000	1	108.0540	0.000	1	108.5405	0.473	2	108.5405	0.473	2	108.5405	0.473	2	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5,6]	C[3]	H	4:4:4:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:C[3]-4:H-1:	C[5,6]-4:C[3]-4:O[3]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H)	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H)	H(C[5,6]C[5,5,6]C[5,6]C[3])	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]CH)(C[3]C[3]O[3]H)(H){1|H<1>,4|C<3>}	C[3](C[5,6]C[5,5,6]C[5,6]H)(C[3]O[3]CH)(O[3]C[3])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[3])	109.0270	0.000	1	109.0270	0.000	1	108.5405	0.473	2	108.5405	0.473	2	108.5405	0.473	2	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,3x5,3x6]	H	4:4:1:1:	6:5:4:4:	4:	C[3,3x5,3x6]-4:C[5]-4:H-1:H-1:	B[4x3,3x5,11x6]-6:B[3x3,5,5,6x6]-5:C[3,3x5,3x6]-4:C[5]-4:	C[5]-4:	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6])(C[5]C[5]HH)(H)2	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH)	H(C[5]C[3,3x5,3x6]C[5]H)	C[5](C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[3,3x5,3x6])(C[5]C[5]HH)(H)2{1|B<7>,2|B<5>,3|B<6>,4|H<1>}	C[3,3x5,3x6](B[4x3,3x5,11x6]B[3x3,3x5,11x6]B[3x3,5,5,6x6]B[5x3,3x5,6x6]B[5x3,5,5,8x6]H)(B[3x3,5,5,6x6]B[4x3,3x5,11x6]B[4x3,4x5,14x6]B[5x3,5,5,8x6]H)(C[3,3x5,3x6]B[4x3,3x5,11x6]B[3x3,5,5,6x6]C[5])(C[5]C[5]HH){10|H<1>,1|Ca<8>,1|B<7>,2|B<6>}	H(C[5]C[3,3x5,3x6]C[5]H)	110.5727	0.018	4	110.5727	0.000	4	110.5727	0.000	4	110.5727	0.000	4	110.5727	0.000	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,3x5]	H	4:3:1:1:	4:4:4:4:	4:	C[3,3x5]-4:N[5]-3:H-1:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[4x5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3,3x5]C[3,5,5]2C[4x5,6])(N[5]C[5]C)(H)2	C[3,3x5](C[3,5,5]C[3,5,5]C[3x5,6]H)2(C[4x5,6]C[3x5,6]2C[5])(C[5]N[5]HH)	H(C[5]C[3,3x5]N[5]H)	C[5](C[3,3x5]C[3,5,5]2C[4x5,6])(N[5]C[5]C)(H)2{4|C<4>,4|H<1>}	C[3,3x5](C[3,5,5]C[3,5,5]C[3x5,6]H)2(C[4x5,6]C[3x5,6]2C[5])(C[5]N[5]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[3,3x5]N[5]H)	112.5805	0.276	2	112.5805	0.076	2	112.5805	0.076	2	112.5805	0.076	2	112.5805	0.076	2	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,4,4,5,4x6]	H	4:4:1:1:	6:6:5:4:	4:	C[3,4,4,5,4x6]-4:C[5]-4:H-1:H-1:	B[4x3,4,4x5,15x6]-6:B[4x3,4,4x5,15x6]-6:C[3,3,4,4,3x5,10x6]-5:C[5]-4:	C[5]-4:	C[5](C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]2)(C[5]C[5]HH)(H)2	C[3,4,4,5,4x6](B[4x3,4,4x5,15x6]B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]H)2(C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[5])(C[5]C[5]HH)	H(C[5]C[3,4,4,5,4x6]C[5]H)	C[5](C[3,4,4,5,4x6]C[3,3,4,4,3x5,10x6]B[4x3,4,4x5,15x6]2)(C[5]C[5]HH)(H)2{4|H<1>,6|B<6>}	C[3,4,4,5,4x6](B[4x3,4,4x5,15x6]B[4x3,4,4x5,15x6]B[4x3,4,5x5,19x6]B[5x3,3x5,16x6]B[5x3,3x5,17x6]H)2(C[3,3,4,4,3x5,10x6]B[4x3,4,5x5,19x6]2B[5x3,3x5,14x6]C[5])(C[5]C[5]HH){3|Br<1>,3|B<6>,7|H<1>}	H(C[5]C[3,4,4,5,4x6]C[5]H)	108.8980	0.086	2	108.8980	0.007	2	108.8980	0.007	2	108.8980	0.007	2	108.8980	0.007	2	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,4,5,3x6]	H	4:4:1:1:	6:5:4:4:	4:	C[3,4,5,3x6]-4:C[5]-4:H-1:H-1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,5,3x6]-4:C[5]-4:	C[5]-4:	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH)	H(C[5]C[3,4,5,3x6]C[5]H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2{4|H<1>,5|B<6>}	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH){1|Sn<5>,3|B<6>,9|H<1>}	H(C[5]C[3,4,5,3x6]C[5]H)	110.8105	0.015	2	110.8105	0.000	2	110.8105	0.000	2	110.8105	0.000	2	110.8205	0.000	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,4,5,3x6]	H	4:4:1:1:	6:6:4:4:	4:	C[3,4,5,3x6]-4:C[5]-4:H-1:H-1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-6:C[3,4,5,3x6]-4:C[5]-4:	C[5]-4:	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH)	H(C[5]C[3,4,5,3x6]C[5]H)	C[5](C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,5,3x6])(C[5]C[5]HH)(H)2{1|Sn<5>,1|B<5>,4|B<6>,4|H<1>}	C[3,4,5,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]SnH)(C[3,4,5,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[5])(C[5]C[5]HH){3|B<6>,9|H<1>}	H(C[5]C[3,4,5,3x6]C[5]H)	110.8305	0.009	2	110.8305	0.000	2	110.8305	0.000	2	110.8305	0.000	2	110.8205	0.000	4	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,5]	H	4:2:1:1:	4:3:4:4:	4:	C[3,5,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[5,6a]C[3,5]2)(O[5]C[5])(H)2	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH)	H(C[5]C[3,5,5]O[5]H)	C[5](C[3,5,5]C[5,6a]C[3,5]2)(O[5]C[5])(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[3,5,5](C[3,5]C[3,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]N[5]H)(C[5]O[5]HH){1|H<1>,1|O<1>,5|C<3>}	H(C[5]C[3,5,5]O[5]H)	110.6855	0.021	4	110.6855	0.000	4	110.6855	0.000	4	110.6855	0.000	4	110.8694	0.345	21	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,5]	H	4:3:1:1:	4:4:3:4:	4:	C[3,5,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(H)2	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH)	H(C[5]C[3,5,5]N[5]H)	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(H)2{1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]HH){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[3,5,5]N[5]H)	111.3110	0.007	4	111.3110	0.000	4	111.3110	0.000	4	111.3110	0.000	4	110.8694	0.345	21	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[3,5,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[5,5]-4:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]N[5]C)(H)2	C[3,5,5](C[3,5]C[3]C[5]Si)(C[5,5]C[5]N[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)	H(C[5]C[3,5,5]N[5]H)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]N[5]C)(H)2{1|Si<4>,3|C<4>,3|H<1>}	C[3,5,5](C[3,5]C[3]C[5]Si)(C[5,5]C[5]N[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH){1|C<3>,5|H<1>}	H(C[5]C[3,5,5]N[5]H)	111.4100	0.000	1	111.4100	0.000	1	111.4100	0.000	1	111.4100	0.000	1	110.8694	0.345	21	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,5]	H	4:3:2:1:	4:4:4:4:	4:	C[3,5,5]-4:C[5]-3:O-2:H-1:	C[3,5]-4:C[3]-4:C[5,5]-4:C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5]C[5]C)(OC)(H)	C[3,5,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5,5]C[5]2H)(C[5]C[5]HO)	H(C[5]C[3,5,5]C[5]O)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(C[5]C[5]C)(OC)(H){4|C<4>,4|H<1>}	C[3,5,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5,5]C[5]2H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[3,5,5]C[5]O)	112.5080	0.000	1	112.5080	0.000	1	112.5080	0.000	1	112.5080	0.000	1	110.8694	0.345	21	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,5]	H	4:3:4:1:	4:4:3:4:	4:	C[3,5,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[3,5]-4:N[5]-3:C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(CHHO)(H)	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH)	H(C[5]C[3,5,5]N[5]C)	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(CHHO)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]H)(N[5]C[5,6a]S)(C[5]N[5]CH){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[3,5,5]N[5]C)	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	110.8694	0.345	21	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5,5]-3:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[3,5,5]C[5,5]C[3])(C[5]C[5]HH)(H)2	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH)	H(C[5]C[3,5,5]C[5]H)	C[5](C[3,5,5]C[3,5,5]C[5,5]C[3])(C[5]C[5]HH)(H)2{2|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[3,5,5]C[5]H)	110.7130	0.014	2	110.5895	0.021	4	110.5895	0.021	4	110.5895	0.021	4	110.8694	0.345	21	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[5,5]-3:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[3,5,5]C[5,5]C[3])(C[5]C[5]HH)(H)2	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH)	H(C[5]C[3,5,5]C[5]H)	C[5](C[3,5,5]C[3,5,5]C[5,5]C[3])(C[5]C[5]HH)(H)2{2|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[3,5,5](C[3,5,5]C[3]C[5]2)(C[5,5]C[5,5]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[3,5,5]C[5]H)	110.4660	0.033	2	110.5895	0.021	4	110.5895	0.021	4	110.5895	0.021	4	110.8694	0.345	21	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[3]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]C)(C[5]C[5]HH)	H(C[5]C[3,5,5]C[5]H)	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2{2|Br<1>,2|H<1>,3|C<3>}	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]C)(C[5]C[5]HH){2|C<4>,4|H<1>}	H(C[5]C[3,5,5]C[5]H)	110.5705	0.025	2	110.5705	0.001	2	110.5263	0.003	4	110.5263	0.003	4	110.8694	0.345	21	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[3]-4:C[5]-3:C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]O)(C[5]C[5]HH)	H(C[5]C[3,5,5]C[5]H)	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5]C[5]HH)(H)2{2|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[3,5,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]Br2)(C[5]C[5,5]O)(C[5]C[5]HH){2|C<4>,4|H<1>}	H(C[5]C[3,5,5]C[5]H)	110.4820	0.014	2	110.4820	0.000	2	110.5263	0.003	4	110.5263	0.003	4	110.8694	0.345	21	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,5]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5,5]C[5,5,6]C[3,5]C[3])(C[5]N[5,6]HH)(H)2	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)	H(C[5]C[3,5,5]C[5]H)	C[5](C[3,5,5]C[5,5,6]C[3,5]C[3])(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[3,5,5](C[5,5,6]C[5,6]N[5,6]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[3,5,5]C[5]H)	111.2055	0.016	2	111.2055	0.000	2	111.2055	0.000	2	111.2055	0.000	2	110.8694	0.345	21	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[3,5,6,6]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3x6]-4:C[3,6,6]-4:C[5]-4:	C[5]-4:	C[5](C[3,5,6,6]C[3,6,6]C[3,5]C[3x6])(N[5]C[5]S)(H)2	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH)	H(C[5]C[3,5,6,6]N[5]H)	C[5](C[3,5,6,6]C[3,6,6]C[3,5]C[3x6])(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[3,5,6,6](C[3,5]C[3,6,6]C[6a]C[5])(C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3,5]C[3x6]H)(C[5]N[5]HH){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	H(C[5]C[3,5,6,6]N[5]H)	111.3840	0.027	2	111.3840	0.001	2	111.3840	0.001	2	111.3840	0.001	2	110.5657	2.009	3	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5,6,6]-4:C[5]-4:C-4:H-1:	C[3,5,6]-4:C[3,6]-4:C[6,6]-4:C[5]-4:	C[5]-4:	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[6,6])(C[5]C[5]HH)(CH3)(H)	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH)	H(C[5]C[3,5,6,6]C[5]C)	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[6,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[3,5,6,6](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[6,6]C[6,6]HH)(C[5]C[5]CH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[5]C[3,5,6,6]C[5]C)	108.9290	0.000	1	108.9290	0.000	1	108.9290	0.000	1	108.9290	0.000	1	110.5657	2.009	3	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]C)(H)2	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)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]C)(H)2{3|H<1>,4|C<4>}	C[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>}	H(C[5]C[3,5,6]C[5]H)	110.9840	0.024	2	110.9840	0.001	2	110.9840	0.001	2	110.9840	0.001	2	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5a]-3:O[5]-2:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	H(C[5]C[3,5,6]C[5a]O[5])	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5,6]C[5a]O[5])	108.0310	0.000	1	110.4687	14.282	3	110.4687	14.282	3	110.4687	14.282	3	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5a]-3:O[5]-2:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H)	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH)	H(C[5]C[3,5,6]C[5a]O[5])	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[3,5,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5a]O[5]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[5]C[3,5,6]C[5a]O[5])	111.6875	4.433	2	110.4687	14.282	3	110.4687	14.282	3	110.4687	14.282	3	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,6|H<1>}	H(C[5]C[3,5,6]C[5]H)	110.9835	0.011	2	110.9835	0.000	2	110.9835	0.000	2	110.9835	0.000	2	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[6]-4:O[3]-2:C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(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)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(H)2{2|C<4>,4|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>}	H(C[5]C[3,5,6]C[5]H)	110.9240	0.015	3	110.9240	0.000	3	110.9240	0.000	3	110.8996	0.002	5	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,6,6]C[5,6]O[3])(C[5]C[5]HH)(H)2	C[3,5,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(O[3]C[3,6,6])(C[5]C[5]HH)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,6,6]C[5,6]O[3])(C[5]C[5]HH)(H)2{1|H<1>,5|C<4>}	C[3,5,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(O[3]C[3,6,6])(C[5]C[5]HH){1|O<2>,4|C<4>,7|H<1>}	H(C[5]C[3,5,6]C[5]H)	110.8630	0.035	2	110.8630	0.001	2	110.8630	0.001	2	110.8996	0.002	5	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:3:2:	4:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-3:O[3]-2:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5,6]C[6]H)(H)2	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6])	H(C[5]C[3,5,6]C[5,6]H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,2|O<1>,4|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[5]C[3,5,6]C[5,6]H)	111.2105	2.302	2	111.2105	5.298	2	111.2105	5.298	2	111.2105	5.298	2	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5,6]-4:C[5,5]-4:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(H)2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]HH)(C[6]N[6,6]HH)(O[3]C[3,5,6])	H(C[5]C[3,5,6]C[5,5]H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]HH)(C[6]N[6,6]HH)(O[3]C[3,5,6]){2|H<1>,3|C<3>,3|C<4>}	H(C[5]C[3,5,6]C[5,5]H)	110.7880	0.051	2	110.7880	0.003	2	110.7880	0.003	2	111.0684	1.151	16	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[4,5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5,6]C[4,5,6]C[3,6]O[3])(C[5,6]C[4,5,6]C[6,6]H)(H)2	C[3,5,6](C[4,5,6]C[4,5,6]C[6]O[4])(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6])	H(C[5]C[3,5,6]C[5,6]H)	C[5](C[3,5,6]C[4,5,6]C[3,6]O[3])(C[5,6]C[4,5,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[3,5,6](C[4,5,6]C[4,5,6]C[6]O[4])(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[3,5,6]C[5,6]H)	112.1440	0.049	4	112.1440	0.002	4	112.1440	0.002	4	111.0684	1.151	16	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5,6]N[5,6]C[6]H)(H)2	C[3,5,6](C[5,6]N[5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6])	H(C[5]C[3,5,6]C[5,6]H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5,6]N[5,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[3,5,6](C[5,6]N[5,6]C[6]H)(C[3,6]C[6]O[3]H)(C[5]C[5,6]HH)(O[3]C[3,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5]C[3,5,6]C[5,6]H)	109.8868	1.437	4	109.8868	2.066	4	109.8868	2.066	4	111.0684	1.151	16	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]C[6]H)(H)2	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6])	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6]){2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[3,5,6]C[5]H)	111.4070	0.033	2	111.4070	0.001	2	111.2325	0.105	6	111.0684	1.151	16	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2	C[3,5,6](C[3,6]C[6]O[3]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(O[3]C[3,6])	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[3,5,6](C[3,6]C[6]O[3]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(O[3]C[3,6]){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[3,5,6]C[5]H)	110.8190	0.031	2	110.8190	0.001	2	111.2325	0.105	6	111.0684	1.151	16	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6])	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[3,5,6](C[3,6]C[6]O[3]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(O[3]C[3,6]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[3,5,6]C[5]H)	111.4715	0.086	2	111.4715	0.007	2	111.2325	0.105	6	111.0684	1.151	16	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]CF)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2{1|F<1>,3|C<3>,3|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]CF)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,6|H<1>}	H(C[5]C[3,5,6]C[5]H)	110.5185	0.015	2	110.5185	0.000	2	110.3663	0.015	6	110.5543	0.742	10	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2{2|Cl<1>,2|C<3>,3|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	H(C[5]C[3,5,6]C[5]H)	110.2550	0.013	2	110.2903	0.002	4	110.3663	0.015	6	110.5543	0.742	10	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]HH)(H)2{2|Cl<1>,2|C<3>,3|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>}	H(C[5]C[3,5,6]C[5]H)	110.3255	0.021	2	110.2903	0.002	4	110.3663	0.015	6	110.5543	0.742	10	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	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]C)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|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]C){1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[3,5,6]C[5]H)	110.7395	0.016	2	110.7395	0.000	2	110.7395	0.000	2	110.5543	0.742	10	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{3|C<3>,4|H<1>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[5]C[3,5,6]C[5]H)	110.9330	2.456	2	110.9330	6.034	2	110.9330	6.034	2	110.5543	0.742	10	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[3,5]C[3,5]C[3]C)(H)2	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,5]C[3,6]H)(C[5]C[3,5]HH)(C[6]C[6]HH)	H(C[5]C[3,5,6]C[3,5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[3,5]C[3,5]C[3]C)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,5]C[3,6]H)(C[5]C[3,5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5]C[3,5,6]C[3,5]H)	110.3117	0.083	4	110.3117	0.007	4	110.3117	0.007	4	110.1328	1.522	25	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5,6]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5,6]C[6]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)	H(C[5]C[3,5,6]C[5,6]H)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5,6]C[5,6]C[6]H)(H)2{2|Cl<1>,4|C<4>,5|H<1>}	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>}	H(C[5]C[3,5,6]C[5,6]H)	107.8955	2.856	2	107.8955	8.157	2	107.8955	8.157	2	110.1328	1.522	25	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6,6]C[3])(C[5]C[5]HH)(H)2	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)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5,6]C[6,6]C[3])(C[5]C[5]HH)(H)2{2|C<3>,3|C<4>,3|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>}	H(C[5]C[3,5,6]C[5]H)	110.5870	0.040	2	110.5870	0.002	2	110.5870	0.002	2	110.1328	1.522	25	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5,6]HH)(H)2	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)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	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>}	H(C[5]C[3,5,6]C[5]H)	110.5635	0.032	2	110.5635	0.001	2	110.2680	1.407	13	110.1328	1.522	25	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	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)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	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>}	H(C[5]C[3,5,6]C[5]H)	110.1304	1.532	8	110.1304	2.347	8	110.2680	1.407	13	110.1328	1.522	25	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2	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)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>,3|C<4>}	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>}	H(C[5]C[3,5,6]C[5]H)	110.4380	0.152	3	110.4380	0.023	3	110.2680	1.407	13	110.1328	1.522	25	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(H)2	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[5]C[3,5,6]C[5]H)	110.1040	0.007	2	110.1040	0.000	2	110.1040	0.000	2	110.1328	1.522	25	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5]-4:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,6]C[5,6]C[3])(C[5]C[5]HH)(H)2	C[3,5,6](C[3,6]C[3]C[6]H)(C[5,6]C[5]C[6]C)(C[3]C[3,6]HH)(C[5]C[5]HH)	H(C[5]C[3,5,6]C[5]H)	C[5](C[3,5,6]C[3,6]C[5,6]C[3])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[3,5,6](C[3,6]C[3]C[6]H)(C[5,6]C[5]C[6]C)(C[3]C[3,6]HH)(C[5]C[5]HH){1|O<1>,2|C<4>,5|H<1>}	H(C[5]C[3,5,6]C[5]H)	110.7080	0.045	2	110.7080	0.002	2	110.7080	0.002	2	110.1328	1.522	25	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:2:1:	4:2:4:4:	4:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(OH)(H)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH)	H(C[5]C[3,5,6]C[5]O)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(C[6]C[6]HH){1|C<3>,7|H<1>}	H(C[5]C[3,5,6]C[5]O)	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(OC)(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]HO)(C[6]C[6]H)	H(C[5]C[3,5,6]C[5]O)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5]C[5]CH)(OC)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5]C[3,5,6]C[5]O)	109.5630	0.000	1	109.5630	0.000	1	109.5630	0.000	1	109.5630	0.000	1	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[3,5,6,6]-4:C[3,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]HH)(OH)(H)	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)	H(C[5]C[3,5,6]C[5]O)	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	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>}	H(C[5]C[3,5,6]C[5]O)	110.6040	0.000	1	110.6040	0.000	1	110.6040	0.000	1	111.0353	0.150	3	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[3,5,6]-4:C[5]-4:O-2:H-1:	C[3,6]-4:C[3,6]-4:C[5,6]-4:C[5]-4:	C[5]-4:	C[5](C[3,5,6]C[3,6]2C[5,6])(C[5]C[5]HH)(OH)(H)	C[3,5,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]O[6]2)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)	H(C[5]C[3,5,6]C[5]O)	C[5](C[3,5,6]C[3,6]2C[5,6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[3,5,6](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]O[6]2)(C[5,6]C[5]C[6]H)(C[5]C[5]HO){1|C<2>,1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[3,5,6]C[5]O)	111.2510	0.147	2	111.2510	0.022	2	111.2510	0.022	2	111.0353	0.150	3	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[3,5,6]-4:C[5]-4:C[5]-4:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[3,5,6](C[3,5,6]C[6,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5]2H)(C[6]C[6]H)	H(C[5]C[3,5,6]C[5]2)	C[5](C[3,5,6]C[3,5,6]C[3]C[6])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[3,5,6](C[3,5,6]C[6,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[5]C[3,5,6]C[5]2)	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	110.5315	1.695	71	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:1:1:	4:4:3:1:	4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	H(C[5]C[3,5]N[5,5]H)	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|O<2>,2|C<3>}	H(C[5]C[3,5]N[5,5]H)	117.0545	4.733	2	116.7542	10.402	4	113.0371	11.807	11	113.0371	11.807	11	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:1:1:	4:4:3:1:	4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	H(C[5]C[3,5]N[5,5]H)	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[5]C[3,5]N[5,5]H)	116.4540	2.906	2	116.7542	10.402	4	113.0371	11.807	11	113.0371	11.807	11	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:1:1:	4:4:3:1:	4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[5]-4:	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H)	H(C[5]C[3,5]N[5,5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[3,5](C[3,5]C[5,5]N[3]H)(C[5]N[5,5]HH)(N[3]C[3,5]C)(H){1|O<2>,2|C<3>}	H(C[5]C[3,5]N[5,5]H)	110.9130	0.045	7	110.9130	0.002	7	113.0371	11.807	11	113.0371	11.807	11	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:1:1:	4:4:3:3:	4:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(H)2	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]N[3])(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[3,5](C[3]C[6a]N[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[3]C[3]C){4|C<3>}	H(C[5]C[5,6a]C[3,5]H)	115.1275	3.375	2	115.1275	11.391	2	115.1275	11.391	2	115.1275	11.391	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:1:1:	4:4:3:4:	4:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:C[3]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(H)2	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[3]C[3]CH)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(H)2{1|C<2>,1|O<1>,3|C<3>,3|H<1>}	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[3]C[3]CH){4|C<3>}	H(C[5]C[5,6a]C[3,5]H)	111.1190	0.017	2	111.1190	0.000	2	111.1190	0.000	2	111.1190	0.000	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[3,5]H)	110.8150	0.020	2	111.0349	0.066	8	111.0349	0.066	8	112.4876	15.485	10	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2{2|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H){1|N<2>,1|N<3>,4|C<3>}	H(C[5]C[5,6a]C[3,5]H)	110.9305	0.026	2	111.0349	0.066	8	111.0349	0.066	8	112.4876	15.485	10	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]2H)(H)2{2|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[5,6a]C[3,5]H)(C[5]C[5,6a]HH)(H){1|N<3>,1|O<1>,4|C<3>}	H(C[5]C[5,6a]C[3,5]H)	111.1970	0.282	4	111.0349	0.066	8	111.0349	0.066	8	112.4876	15.485	10	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:1:1:	4:4:4:1:	4:	N[5,5a]-3:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3,5]C[3,5]C[3]H)(H)2	C[3,5](C[3,5]C[5,5a]C[3]C)(C[5]N[5,5a]HH)(C[3]C[3,5]HH)(H)	H(C[5]N[5,5a]C[3,5]H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[3,5]C[3,5]C[3]H)(H)2{2|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,5a]C[3]C)(C[5]N[5,5a]HH)(C[3]C[3,5]HH)(H){2|C<3>}	H(C[5]N[5,5a]C[3,5]H)	118.2985	7.381	2	118.2985	54.486	2	118.2985	54.486	2	112.4876	15.485	10	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C[3,5]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[6a]O[5])	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H){2|C<3>,2|H<1>}	H(C[5]C[3,5]C[6a]O[5])	107.7490	0.000	1	107.7490	0.000	1	107.7490	0.000	1	107.7490	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:3:1:	4:4:4:2:	4:	C[5,6a]-3:C[3,5]-4:C[6a]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]H)(C[3]C[3,5]CC)(CN)	H(C[5]C[5,6a]C[3,5]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(H){1|C<2>,3|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]H)(C[3]C[3,5]CC)(CN){4|C<3>}	H(C[5]C[5,6a]C[3,5]C[6a])	107.3120	0.000	1	107.3120	0.000	1	107.3120	0.000	1	107.3120	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:3:1:	4:4:4:4:	4:	C[5,6a]-3:C[3,5]-4:N-3:H-1:	C[5]-4:C[5]-4:C[3]-4:C[3]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(NC[6a]H)(H)	C[3,5](C[5]C[5,6a]HN)2(C[3]C[3]HH)2	H(C[5]C[5,6a]C[3,5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(NC[6a]H)(H){1|N<3>,2|C<3>,6|H<1>}	C[3,5](C[5]C[5,6a]HN)2(C[3]C[3]HH)2{2|C<3>}	H(C[5]C[5,6a]C[3,5]N)	108.0980	0.873	2	108.0980	0.761	2	108.0980	0.761	2	108.0980	0.761	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:4:1:	4:4:4:1:	4:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]N[5a]C[5]H)(C[3]C[3,5]HH)(H)	H(C[5]C[3,5]N[5a]C[5])	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|N<2>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]N[5a]C[5]H)(C[3]C[3,5]HH)(H){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[3,5]N[5a]C[5])	109.9710	0.000	1	109.9710	0.000	1	110.1707	0.031	3	110.1707	0.031	3	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:4:1:	4:4:4:1:	4:	N[5a]-3:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[5]N[5a]C[5]H)(C[3]C[3,5]HH)(H)	H(C[5]C[3,5]N[5a]C[5])	C[5](N[5a]C[5a,6a]C[5a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]N[5a]C[5]H)(C[3]C[3,5]HH)(H){1|C<2>,1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[3,5]N[5a]C[5])	110.2705	0.052	2	110.2705	0.003	2	110.1707	0.031	3	110.1707	0.031	3	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	3:4:4:1:	4:4:4:2:	4:	C[5,6a]-3:C[3,5]-4:C-4:H-1:	C[5]-4:C[5]-4:C[3]-4:O[3]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CC3)(H)	C[3,5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(C[3]O[3]HH)(O[3]C[3])	H(C[5]C[5,6a]C[3,5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CC3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3,5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(C[3]O[3]HH)(O[3]C[3]){2|C<3>}	H(C[5]C[5,6a]C[3,5]C)	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:3:4:1:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:N[3]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]N[3]H)(O[5]C[5])(H)2	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]S)(C[5]O[5]HH)(H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]N[3]H)(O[5]C[5])(H)2{1|S<4>,3|H<1>}	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]S)(C[5]O[5]HH)(H){2|H<1>}	H(C[5]C[3,5]O[5]H)	110.4115	0.062	4	110.4115	0.004	4	110.4115	0.004	4	110.4115	0.004	4	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:2:4:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HH)(O[3]C[3,5])(CH3)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(H)2{1|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HH)(O[3]C[3,5])(CH3){1|C<3>,1|H<1>}	H(C[5]C[3,5]O[5]H)	110.5165	0.077	4	110.5165	0.006	4	110.5165	0.006	4	110.5165	0.006	4	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:3:4:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]O[5]HH)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]O[5]HH){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[3,5]O[5]H)	110.4605	0.006	2	110.4605	0.000	2	110.4605	0.000	2	110.4605	0.000	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5])(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5])(H)2{1|C<3>,1|S<2>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|S<2>}	H(C[5]C[3,5]N[5]H)	110.1890	0.041	4	110.1890	0.002	4	110.1890	0.002	4	110.4979	0.407	35	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-2:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5])(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5])(H)2{1|H<1>,3|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)(H){3|C<3>}	H(C[5]C[3,5]N[5]H)	110.2860	0.033	4	110.2860	0.001	4	110.2860	0.001	4	110.4979	0.407	35	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:1:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(O[5]C[5,5])(H)2	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5]O[5]HH)(H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(O[5]C[5,5])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5]O[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[3,5]O[5]H)	109.8200	0.635	2	109.8200	0.403	2	109.8200	0.403	2	110.4979	0.407	35	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:1:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H){1|O<1>}	H(C[5]C[3,5]O[5]H)	110.5250	0.017	2	110.5540	0.026	6	110.7619	1.230	10	110.4979	0.407	35	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:1:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H){1|O<1>}	H(C[5]C[3,5]O[5]H)	110.7440	0.059	2	110.5540	0.026	6	110.7619	1.230	10	110.4979	0.407	35	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:1:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H){1|O<1>}	H(C[5]C[3,5]O[5]H)	110.3930	0.008	2	110.5540	0.026	6	110.7619	1.230	10	110.4979	0.407	35	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:1:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]O[5]HH)(H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]O[5]HH)(H){1|O<1>}	H(C[5]C[3,5]O[5]H)	110.4490	0.075	2	110.4490	0.006	2	110.7619	1.230	10	110.4979	0.407	35	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:1:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]O[5]HH)(H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	H(C[5]C[3,5]O[5]H)	111.6985	2.954	2	111.6985	8.724	2	110.7619	1.230	10	110.4979	0.407	35	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:1:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]HH)(H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	H(C[5]C[3,5]O[5]H)	110.5524	0.097	7	110.5524	0.009	7	110.5332	0.007	11	110.4979	0.407	35	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:1:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]N)(C[5]O[5]HH)(H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]N)(C[5]O[5]HH)(H){1|O<1>,2|C<3>}	H(C[5]C[3,5]O[5]H)	110.4995	0.061	4	110.4995	0.004	4	110.5332	0.007	11	110.4979	0.407	35	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:1:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(O[5]B[5])(H)2	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]N[3,5]C[3]H)(O[5]B[5])(H)2{1|C<4>,2|C<2>,2|H<1>}	C[3,5](N[3,5]B[5]C[3]C)(C[3]N[3,5]HH)(C[5]O[5]HH)(H){2|C<2>}	H(C[5]C[3,5]O[5]H)	110.7125	0.042	2	110.7125	0.002	2	110.7125	0.002	2	110.4979	0.407	35	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:1:	4:	C[3,5]-4:S[5]-2:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(S[5]C[5])(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HN)(C[5]S[5]HH)(H)	H(C[5]C[3,5]S[5]H)	C[5](C[3,5]C[3,5]C[3]H)(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HN)(C[5]S[5]HH)(H){1|C<3>,1|H<1>}	H(C[5]C[3,5]S[5]H)	110.4895	0.018	2	110.4895	0.000	2	110.4895	0.000	2	110.4979	0.407	35	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:2:	4:	C[3,5]-4:N[5]-2:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3,5]C[3]2O[5])(N[5]C[5])(H)2	C[3,5](C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]HH)(O[5]C[5])	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3]2O[5])(N[5]C[5])(H)2{2|H<1>,3|C<3>}	C[3,5](C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]HH)(O[5]C[5]){1|C<3>}	H(C[5]C[3,5]N[5]H)	111.1000	0.038	2	111.1000	0.001	2	111.1000	0.001	2	110.9790	0.021	4	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:2:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(O[5]C[5])(H)2	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3])	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3]C[5]O[3])(O[5]C[5])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3,5](C[3]C[6a]O[3]C)(C[5]C[6a]C[5]O)(C[5]O[5]HH)(O[3]C[3]){2|H<1>,4|C<3>}	H(C[5]C[3,5]O[5]H)	110.8580	0.041	2	110.8580	0.002	2	110.8580	0.002	2	110.9790	0.021	4	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:1:1:	4:4:4:3:	4:	C[3,5]-4:O[5]-2:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[3,5]C[3]2N[5])(O[5]C[5])(H)2	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]O[5]HH)(N[5]C[5]C)	H(C[5]C[3,5]O[5]H)	C[5](C[3,5]C[3]2N[5])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]O[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>}	H(C[5]C[3,5]O[5]H)	110.6050	0.479	2	110.6050	0.230	2	110.6050	0.230	2	110.6050	0.230	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:2:1:	4:2:4:4:	4:	C[3,5]-4:O[5]-2:O-2:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]C)(O[5]C[5,6])(OC[5,6])(H)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3)	H(C[5]C[3,5]O[5]O)	C[5](C[3,5]C[3,5,6]O[3]C)(O[5]C[5,6])(OC[5,6])(H){1|O<2>,2|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3){1|H<1>,2|C<4>,2|O<2>}	H(C[5]C[3,5]O[5]O)	110.4580	0.000	1	110.4580	0.000	1	110.4580	0.000	1	110.4580	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:2:1:	4:3:4:1:	4:	C[3,5]-4:O[5]-2:O-2:H-1:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H)	H(C[5]C[3,5]O[5]O)	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,2|H<1>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]O[5]HO)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[3,5]O[5]O)	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:2:1:	4:4:2:1:	4:	C[3,5]-4:O[5]-2:S-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H)	H(C[5]C[3,5]O[5]S)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(SC[6a])(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HS)(O[3]C[3,5])(H){1|C<4>,1|H<1>}	H(C[5]C[3,5]O[5]S)	110.3605	0.052	2	110.3605	0.003	2	110.3605	0.003	2	110.3605	0.003	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:2:1:	4:4:4:1:	4:	C[3,5]-4:O[5]-2:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(OH)(H)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]O[5]HO)(H)	H(C[5]C[3,5]O[5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]O[5]HO)(H){2|C<3>,2|H<1>}	H(C[5]C[3,5]O[5]O)	110.1330	0.000	1	110.1330	0.000	1	110.1330	0.000	1	110.1330	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:4:1:	4:4:2:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHH)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	H(C[5]C[3,5]O[5]C)	109.8390	0.000	1	109.8390	0.000	1	109.4422	0.382	9	109.4422	0.382	9	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:4:1:	4:4:2:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H){1|N<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|N<3>}	H(C[5]C[3,5]O[5]C)	109.4363	0.161	3	109.4363	0.026	3	109.4422	0.382	9	109.4422	0.382	9	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:4:1:	4:4:2:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H){1|C<3>,1|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	H(C[5]C[3,5]O[5]C)	108.8260	0.000	1	109.0265	0.080	2	109.4422	0.382	9	109.4422	0.382	9	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:4:1:	4:4:2:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H){1|C<4>,1|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	H(C[5]C[3,5]O[5]C)	109.2270	0.000	1	109.0265	0.080	2	109.4422	0.382	9	109.4422	0.382	9	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:4:1:	4:4:2:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[5]HH)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[5]HH)(H){1|C<4>,1|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]O[5]CH)(O[3]C[3,5])(H){1|O<1>}	H(C[5]C[3,5]O[5]C)	110.5960	0.000	1	110.5960	0.000	1	109.4422	0.382	9	109.4422	0.382	9	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:4:1:	4:4:2:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|N<3>}	H(C[5]C[3,5]O[5]C)	109.7400	0.000	1	109.7400	0.000	1	109.4422	0.382	9	109.4422	0.382	9	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:4:1:	4:4:2:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CN[5]HH)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CN[5]HH)(H){1|S<2>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]CH)(O[3]C[3,5])(H){1|H<1>,1|S<2>}	H(C[5]C[3,5]O[5]C)	108.4430	0.000	1	108.4430	0.000	1	109.4422	0.382	9	109.4422	0.382	9	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:4:1:	4:4:4:1:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(CCl3)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(C[5]O[5]CH)(H)	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(CCl3)(H){1|C<3>,1|O<1>,2|C<4>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(C[5]O[5]CH)(H){1|O<1>}	H(C[5]C[3,5]O[5]C)	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:2:4:1:	4:4:4:4:	4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H)	C[3,5](C[3,5]C[3]C[5]F)(C[3]C[3,5]HH)(C[5]O[5]CH)(CHHO)	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]F)(C[3]C[3,5]HH)(C[5]O[5]CH)(CHHO){1|H<1>,1|N<3>}	H(C[5]C[3,5]O[5]C)	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	3:4:4:4:	4:	C[3,5]-4:C[5,6a]-3:H-1:H-1:	N[3,5]-3:Si[3,5]-4:C[5]-4:Si-4:	C[5]-4:	C[5](C[3,5]Si[3,5]N[3,5]Si)(C[5,6a]C[5,6a]C[6a])(H)2	C[3,5](N[3,5]C[5,6a]Si[3,5])(Si[3,5]N[3,5]C[5]2)(C[5]C[5,6a]HH)(SiC[6a]CH)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[3,5]Si[3,5]N[3,5]Si)(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[3,5](N[3,5]C[5,6a]Si[3,5])(Si[3,5]N[3,5]C[5]2)(C[5]C[5,6a]HH)(SiC[6a]CH){4|Si<4>,2|C<3>,2|C<4>}	H(C[5]C[5,6a]C[3,5]H)	110.9270	0.102	4	110.9270	0.010	4	110.9270	0.010	4	110.9270	0.010	4	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:3:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:N[3,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(N[5]C[6a]C[5])(H)2	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]N[3,5]C[3]H)(N[5]C[6a]C[5])(H)2{2|H<1>,4|C<3>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(H){1|H<1>,4|C<3>}	H(C[5]C[3,5]N[5]H)	111.1330	0.071	2	111.1330	0.005	2	111.1330	0.005	2	111.1330	0.005	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:3:4:2:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]O[3])(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5])	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[6a]O[3])(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]N[5]HH)(O[3]C[3,5]){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[3,5]N[5]H)	110.8820	0.000	1	110.8820	0.000	1	110.8820	0.000	1	110.8820	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:3:4:3:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:N[3]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]N[3]C)(C[5]O[5]O)(H)2	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]N[3]C)(C[5]O[5]O)(H)2{1|C<3>,1|H<1>}	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>}	H(C[5]C[3,5]C[5]H)	112.8015	1.537	2	112.8015	2.361	2	112.8015	2.361	2	111.7964	1.449	5	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:3:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2{3|C<3>,3|H<1>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]N[5]HH)(CC[6a]O){2|H<1>,3|C<3>}	H(C[5]C[3,5]N[5]H)	111.1263	0.183	3	111.1263	0.033	3	111.1263	0.033	3	111.7964	1.449	5	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]C)(H)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]H)	110.4490	1.754	2	110.4490	3.075	2	110.4490	3.075	2	111.0386	0.671	14	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:2:1:	4:	C[3,5]-4:N[5,5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5,5]C[5])(H)2	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]N[5,5]HH)(O[3]C[3,5])(H)	H(C[5]C[3,5]N[5,5]H)	C[5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5,5]C[5])(H)2{3|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]N[5,5]HH)(O[3]C[3,5])(H){1|H<1>,2|C<4>}	H(C[5]C[3,5]N[5,5]H)	111.6330	1.991	2	111.6330	3.965	2	111.6330	3.965	2	111.0386	0.671	14	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:2:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H){1|H<1>,2|C<3>}	H(C[5]C[3,5]N[5]H)	111.0977	0.051	4	111.0977	0.003	4	111.0376	0.031	10	111.0386	0.671	14	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:2:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]HH)(O[3]C[3,5])(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2{1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]HH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[3,5]N[5]H)	111.2680	0.013	2	111.2680	0.000	2	111.0376	0.031	10	111.0386	0.671	14	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:2:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[3,5]N[5]H)	110.8623	0.102	4	110.8623	0.010	4	111.0376	0.031	10	111.0386	0.671	14	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:2:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(CH3)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[3,5]N[5]H)	110.9935	0.029	2	110.9935	0.001	2	110.9935	0.001	2	110.9935	0.001	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:3:2:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:O[3]-2:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O)(H)2	C[3,5](C[3]O[3]CC)(C[5]C[5]HH)(C[5]C[5]2)(O[3]C[3])	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O)(H)2{4|C<4>}	C[3,5](C[3]O[3]CC)(C[5]C[5]HH)(C[5]C[5]2)(O[3]C[3]){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]H)	111.0582	0.080	9	111.0582	0.006	9	111.0582	0.006	9	111.0582	0.006	9	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:3:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:N[3]-3:	C[5]-4:	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[3,5](C[3]C[6a]N[3]H)(C[5]N[5]HH)(C[5]C[5]C)(N[3]C[3]C){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[3,5]N[5]H)	111.1050	0.013	2	111.1050	0.000	2	111.1050	0.000	2	111.1050	0.000	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:3:4:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]O)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.4735	0.090	2	110.4735	0.008	2	110.4735	0.008	2	110.6348	0.018	6	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:3:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(H)2{3|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,2|C<3>,4|H<1>}	H(C[5]C[3,5]N[5]H)	110.7195	0.052	2	110.7195	0.003	2	110.7195	0.003	2	110.6348	0.018	6	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:3:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|O<1>,2|H<1>,5|C<3>}	H(C[5]C[3,5]N[5]H)	110.7115	0.008	2	110.7115	0.000	2	110.7115	0.000	2	110.6348	0.018	6	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5,6]-3:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[6])(H)2	C[3,5](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5,6]HH)(H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6]C[5,6]C[6])(H)2{3|H<1>,4|C<4>}	C[3,5](C[3,5]C[3,6]C[5,6]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5,6]HH)(H){4|C<4>,4|H<1>}	H(C[5]C[3,5]C[5,6]H)	111.8120	0.409	2	111.8120	0.167	2	111.8120	0.167	2	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5,6a]-3:H-1:H-1:	C[3,6]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[3,5]C[5,6a]C[3,6]H)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,4|C<3>}	C[3,5](C[3,6]C[6,6a]C[3,5]C[6])(C[3,5]C[5,6a]C[3,6]H)(C[5]C[5,6a]HH)(H){1|N<2>,1|O<2>,4|C<3>}	H(C[5]C[5,6a]C[3,5]H)	111.2880	0.412	4	111.2880	0.170	4	111.2880	0.170	4	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,1|H<1>}	H(C[5]C[3,5]C[5]H)	110.8695	0.098	2	110.8695	0.010	2	110.8695	0.010	2	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5,5]S)(H)2	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6a])(C[3,5]C[3,5,5]C[5]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.8230	1.969	2	111.8230	3.875	2	111.8230	3.875	2	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|C<4>,1|N<2>}	H(C[5]C[3,5]N[5]H)	110.9162	0.056	4	110.9162	0.003	4	111.0905	0.031	21	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|H<1>,2|C<3>}	H(C[5]C[3,5]N[5]H)	110.9815	0.060	2	110.9815	0.004	2	111.0905	0.031	21	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(C[5]N[5]HH)(H){1|S<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.0010	0.042	2	111.0010	0.002	2	111.0905	0.031	21	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.3460	0.025	2	111.2908	0.005	4	111.0905	0.031	21	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.2355	0.032	2	111.2908	0.005	4	111.0905	0.031	21	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|S<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.2545	0.101	4	111.2072	0.019	5	111.0905	0.031	21	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|C<3>,1|H<1>,1|S<4>}	H(C[5]C[3,5]N[5]H)	111.0180	0.000	1	111.2072	0.019	5	111.0905	0.031	21	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[3,5]N[5]H)	110.8635	0.069	2	110.8635	0.005	2	111.0905	0.031	21	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|N<2>,1|S<4>,2|C<3>}	H(C[5]C[3,5]N[5]H)	111.1770	0.000	1	111.1725	0.000	2	111.0905	0.031	21	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>}	H(C[5]C[3,5]N[5]H)	111.1680	0.000	1	111.1725	0.000	2	111.0905	0.031	21	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[3,5]N[5]H)	110.9540	0.013	2	110.8323	0.031	6	111.1912	0.087	18	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[3,5]N[5]H)	110.7715	0.191	4	110.8323	0.031	6	111.1912	0.087	18	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]O)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]O)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[3,5]N[5]H)	111.4600	0.021	2	111.4600	0.000	2	111.1912	0.087	18	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]2C[5])(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]2C[5])(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3,5]N[5]H)	111.3967	0.092	8	111.3967	0.008	8	111.1912	0.087	18	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.1770	0.105	2	111.1770	0.011	2	111.1912	0.087	18	111.1940	0.181	49	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]H)(H)2	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3])	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]H)(H)2{1|H<1>,4|C<4>}	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3]){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	111.2493	0.156	6	111.2493	0.024	6	111.2493	0.024	6	111.1679	0.041	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:2:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-2:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]N[5]HH)(CC)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{2|C<4>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]N[5]HH)(CC){1|S<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	110.9235	0.067	2	110.9235	0.005	2	110.9235	0.005	2	111.1679	0.041	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:3:	4:	C[3,5]-4:C[5,6a]-3:H-1:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(H)2	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]HH)(C[3]C[3,5]CH)(C[6a]C[6a]2)	H(C[5]C[5,6a]C[3,5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(H)2{3|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]HH)(C[3]C[3,5]CH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5]C[5,6a]C[3,5]H)	110.8160	0.004	2	110.8160	0.000	2	110.8160	0.000	2	111.0529	0.116	23	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2	C[3,5](C[3,5,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CCH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]C[6a])(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CCH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3,5]N[5]H)	111.7220	0.707	2	111.7220	0.500	2	111.1190	0.370	6	111.0529	0.116	23	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CCH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2{2|C<4>,3|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CCH){1|S<4>,2|C<4>,3|H<1>}	H(C[5]C[3,5]N[5]H)	110.5655	0.032	2	110.5655	0.001	2	111.1190	0.370	6	111.0529	0.116	23	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CHO)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2{2|H<1>,3|C<3>}	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(C[5]N[5]HH)(CHO){1|O<1>,1|S<4>,3|C<3>}	H(C[5]C[3,5]N[5]H)	111.0695	0.057	2	111.0695	0.003	2	111.1190	0.370	6	111.0529	0.116	23	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]N[5]HH)(CCH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]N[5]HH)(CCH){1|S<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.0190	0.000	1	111.0190	0.000	1	111.1532	0.008	8	111.0529	0.116	23	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]N[5]HH)(CC[6a]O)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]N[5]HH)(CC[6a]O){1|S<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.2730	0.045	2	111.2730	0.002	2	111.1532	0.008	8	111.0529	0.116	23	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(CCH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(CCH){1|C<3>,1|C<4>,1|S<4>}	H(C[5]C[3,5]N[5]H)	111.1485	0.064	2	111.1268	0.002	4	111.1532	0.008	8	111.0529	0.116	23	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(CCH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(CCH){1|S<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.1050	0.024	2	111.1268	0.002	4	111.1532	0.008	8	111.0529	0.116	23	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(CC[6a]O)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]HH)(CC[6a]O){1|S<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.1540	0.000	1	111.1540	0.000	1	111.1532	0.008	8	111.0529	0.116	23	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C[5])(N[5]C[6a]C[5])(H)2	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C[5])(N[5]C[6a]C[5])(H)2{1|H<1>,2|O<1>,5|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]HH)(C[5]C[5]O){1|N<3>,2|O<1>,5|C<3>}	H(C[5]C[3,5]N[5]H)	110.9260	0.034	2	110.9260	0.001	2	110.9260	0.001	2	111.0529	0.116	23	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(CCH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]N[5]HH)(CCH){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.1575	0.032	2	111.1575	0.001	2	111.1575	0.001	2	111.0529	0.116	23	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[3,5]C[3]2N[5])(N[5]C[5]C)(H)2	C[3,5](C[3]C[3]Cl2)(C[3]C[3]HH)(C[5]N[5]HH)(N[5]C[5]C)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3]2N[5])(N[5]C[5]C)(H)2{2|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3]C[3]Cl2)(C[3]C[3]HH)(C[5]N[5]HH)(N[5]C[5]C){1|C<3>,1|O<1>}	H(C[5]C[3,5]N[5]H)	110.6325	0.009	2	110.6325	0.000	2	110.6325	0.000	2	111.0529	0.116	23	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:3:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[3]-4:C[5]-4:N[3]-3:	C[5]-4:	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[3,5]N[5]H)	111.2130	0.000	1	111.2130	0.000	1	111.2130	0.000	1	111.0529	0.116	23	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,5]O)(H)2	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CCCH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,5]O)(H)2{2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CCCH){1|O<1>,2|C<4>}	H(C[5]C[3,5]C[5]H)	110.5050	0.042	2	110.5050	0.002	2	110.5050	0.002	2	111.1313	0.045	30	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(H)2	C[3,5](C[3]C[3]Cl2)(C[3]C[3]CC)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]O)(H)2{2|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[3,5](C[3]C[3]Cl2)(C[3]C[3]CC)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<1>}	H(C[5]C[3,5]C[5]H)	111.0245	0.012	2	111.0245	0.000	2	111.0245	0.000	2	111.1313	0.045	30	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]2C[3])(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]2C[3])(N[5]C[5]S)(H)2{4|C<4>,4|H<1>}	C[3,5](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH){1|N<3>,1|S<4>,2|C<4>,6|H<1>}	H(C[5]C[3,5]N[5]H)	110.9990	0.115	4	110.9990	0.013	4	110.9990	0.013	4	111.1313	0.045	30	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3,5]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(CH3)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	C[3,5](C[3,5]C[3,5]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(CH3){1|S<4>,2|H<1>,3|C<4>}	H(C[5]C[3,5]N[5]H)	110.9975	0.052	2	110.9975	0.003	2	111.1834	0.013	12	111.1313	0.045	30	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(CC[5]HH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(CC[5]HH){1|S<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.2690	0.015	4	111.2690	0.000	4	111.1834	0.013	12	111.1313	0.045	30	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(CH3)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(CH3){1|O<1>,1|S<4>}	H(C[5]C[3,5]N[5]H)	111.0830	0.038	2	111.1883	0.007	6	111.1834	0.013	12	111.1313	0.045	30	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(CH3)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]N[5]HH)(CH3){1|S<4>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.2410	0.029	4	111.1883	0.007	6	111.1834	0.013	12	111.1313	0.045	30	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[5]C[3,5]N[5]H)	111.3115	0.018	4	111.2724	0.005	8	111.2724	0.005	8	111.1313	0.045	30	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH){1|S<4>,3|C<3>,5|H<1>}	H(C[5]C[3,5]N[5]H)	111.2045	0.036	2	111.2724	0.005	8	111.2724	0.005	8	111.1313	0.045	30	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]N[5]HH){1|S<4>,4|C<3>,4|H<1>}	H(C[5]C[3,5]N[5]H)	111.2620	0.137	2	111.2724	0.005	8	111.2724	0.005	8	111.1313	0.045	30	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:1:1:	4:4:4:4:	4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]C[5])(H)2	C[3,5](C[3]C[3]HH)2(C[5]C[5]HN)(C[5]N[5]HH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]C[5])(H)2{1|N<4>,2|C<3>,7|H<1>}	C[3,5](C[3]C[3]HH)2(C[5]C[5]HN)(C[5]N[5]HH){1|C<3>,2|H<1>}	H(C[5]C[3,5]N[5]H)	111.2515	0.039	2	111.2515	0.002	2	111.2515	0.002	2	111.1313	0.045	30	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:2:1:	4:3:4:4:	4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[5]-3:C[3]-4:C[3]-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[3,5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(C[3]C[3]HH)2	H(C[5]C[3,5]C[6a]O[5])	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H){3|C<3>,6|H<1>}	C[3,5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(C[3]C[3]HH)2{4|C<3>}	H(C[5]C[3,5]C[6a]O[5])	109.4430	0.000	1	109.4430	0.000	1	109.4430	0.000	1	109.4430	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:2:1:	4:4:2:1:	4:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[6]O[5])	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	H(C[5]C[3,5]C[6]O[5])	108.5250	0.230	4	108.5250	0.053	4	108.5250	0.053	4	108.9288	0.324	9	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:2:1:	4:4:2:1:	4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[6a]O[5])	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[6a]O[5]H)(O[3]C[3,5])(H){1|O<1>,2|C<3>}	H(C[5]C[3,5]C[6a]O[5])	108.7595	0.357	2	108.7595	0.128	2	108.7595	0.128	2	108.9288	0.324	9	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:2:1:	4:4:2:1:	4:	C[3,5]-4:N[5a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5a]O[5]H)(O[3]C[3,5])(H)	H(C[5]C[3,5]N[5a]O[5])	C[5](C[3,5]C[3,5]O[3]H)(N[5a]C[5a]N[5a])(O[5]C[5])(H){1|C<4>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5a]O[5]H)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[3,5]N[5a]O[5])	109.8010	0.173	2	109.8010	0.030	2	109.8010	0.030	2	108.9288	0.324	9	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:2:1:	4:4:2:1:	4:	C[3,5]-4:N[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[6a]O[5]H)(O[3]C[3,5])(H)	H(C[5]C[3,5]N[6a]O[5])	C[5](C[3,5]C[3,5]O[3]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[6a]O[5]H)(O[3]C[3,5])(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[3,5]N[6a]O[5])	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	108.9288	0.324	9	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:2:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-3:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(OC)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HO)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HO)(H){1|C<4>,1|H<1>}	H(C[5]C[3,5]C[5]O)	110.3050	0.000	1	110.3050	0.000	1	110.3050	0.000	1	110.1356	1.613	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:2:1:	4:4:4:1:	4:	C[3,5]-4:C[6a]-3:N[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])(H){4|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H){3|C<3>}	H(C[5]C[3,5]C[6a]N[5])	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	110.1356	1.613	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:2:1:	4:4:4:1:	4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:Br-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]Br)(C[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(C[3]C[3,5]HH)(Br)	H(C[5]C[3,5]C[6a]O[5])	C[5](C[3,5]C[3,5]C[3]Br)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(C[3]C[3,5]HH)(Br){1|O<1>,2|C<3>}	H(C[5]C[3,5]C[6a]O[5])	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	110.1356	1.613	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:2:1:	4:4:4:1:	4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]O[5]H)(C[3]C[3,5]CH)(H)	H(C[5]C[3,5]C[6a]O[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]O[5]H)(C[3]C[3,5]CH)(H){1|C<4>,3|C<3>}	H(C[5]C[3,5]C[6a]O[5])	109.5350	0.000	1	109.5350	0.000	1	109.5350	0.000	1	110.1356	1.613	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:2:1:	4:4:4:1:	4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(H)	H(C[5]C[3,5]C[6a]O[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[6a]O[5]H)(H){1|O<1>,4|C<3>}	H(C[5]C[3,5]C[6a]O[5])	111.2627	1.425	3	111.2627	2.032	3	111.2627	2.032	3	110.1356	1.613	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:2:1:	4:4:4:1:	4:	C[3,5]-4:N[6a]-3:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:F-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]F)(N[6a]C[6a]2)(O[5]C[5])(H)	C[3,5](C[3,5]C[3]C[5]C)(C[5]N[6a]O[5]H)(C[3]C[3,5]HH)(F)	H(C[5]C[3,5]N[6a]O[5])	C[5](C[3,5]C[3,5]C[3]F)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]N[6a]O[5]H)(C[3]C[3,5]HH)(F){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[3,5]N[6a]O[5])	109.4310	0.000	1	109.4310	0.000	1	109.4310	0.000	1	110.1356	1.613	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:2:1:	4:4:4:4:	4:	C[3,5]-4:C[5a]-3:S[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5a]C[5a]O[5a])(S[5]C[5])(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[5a]S[5]H)(C[3]C[3,5]HN)(CHHO)	H(C[5]C[3,5]C[5a]S[5])	C[5](C[3,5]C[3,5]C[3]C)(C[5a]C[5a]O[5a])(S[5]C[5])(H){1|N<3>,2|C<3>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[5a]S[5]H)(C[3]C[3,5]HN)(CHHO){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5a]S[5])	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:3:1:	4:3:4:3:	4:	C[3,5]-4:N[4,5]-3:C-3:H-1:	C[3]-4:N[3,5]-3:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]C)(N[4,5]C[4,5]C[4])(COO)(H)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[4,5]C[3])(C[5]N[4,5]CH)(COO)	H(C[5]C[3,5]N[4,5]C)	C[5](C[3,5]N[3,5]C[3]C)(N[4,5]C[4,5]C[4])(COO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[4,5]C[3])(C[5]N[4,5]CH)(COO){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[3,5]N[4,5]C)	111.2600	0.000	1	111.2600	0.000	1	111.2600	0.000	1	109.7963	1.608	3	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:3:1:	4:3:4:3:	4:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[3,5]-3:C[3]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	H(C[5]C[3,5]C[6a]N[5])	109.1030	0.000	1	109.0645	0.003	2	109.0645	0.003	2	109.7963	1.608	3	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:3:1:	4:3:4:3:	4:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:N[3,5]-3:C[3]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|H<1>,7|C<3>}	C[3,5](C[5]C[6a]N[5]H)(N[3,5]C[3]C[5])(C[3]N[3,5]HH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	H(C[5]C[3,5]C[6a]N[5])	109.0260	0.000	1	109.0645	0.003	2	109.0645	0.003	2	109.7963	1.608	3	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:3:1:	4:4:2:1:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]N[5]H)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[6a]N[5]H)(O[3]C[3,5])(H){2|H<1>,3|C<3>}	H(C[5]C[3,5]C[6a]N[5])	110.0000	0.000	1	110.0000	0.000	1	110.0000	0.000	1	110.1705	0.058	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:3:1:	4:4:2:1:	4:	C[3,5]-4:N[5]-3:C-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(COO)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(COO)(H){3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H){1|C<3>,2|H<1>}	H(C[5]C[3,5]N[5]C)	110.3410	0.000	1	110.3410	0.000	1	110.3410	0.000	1	110.1705	0.058	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:3:1:	4:4:4:1:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5]C[3,5]C[6a]N[5])	109.8860	0.000	1	109.8860	0.000	1	109.8860	0.000	1	109.5913	0.575	7	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:3:1:	4:4:4:1:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)(H)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,5|C<3>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)(H){2|H<1>,5|C<3>}	H(C[5]C[3,5]C[6a]N[5])	109.2460	0.221	2	109.2460	0.049	2	109.2460	0.049	2	109.5913	0.575	7	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:3:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]CH)(H)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H){1|O<1>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>}	H(C[5]C[3,5]N[5]C)	110.7090	0.000	1	110.5300	0.064	2	110.5300	0.064	2	109.5913	0.575	7	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:3:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:C-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]CH)(H)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H){5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]CH)(H){1|C<3>,2|H<1>}	H(C[5]C[3,5]N[5]C)	110.3510	0.000	1	110.5300	0.064	2	110.5300	0.064	2	109.5913	0.575	7	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:3:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-3:C-3:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]H)(COO)(H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]CH)(H)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]H)(COO)(H){2|H<1>,3|C<3>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]N[5]CH)(H){2|H<1>,3|C<3>}	H(C[5]C[3,5]N[5]C)	108.8505	0.388	2	108.8505	0.151	2	108.8505	0.151	2	109.5913	0.575	7	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:3:1:	4:4:4:3:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(COO)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|C<3>,7|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]N[5]H)(C[3]C[3,5]HH)(COO){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[3,5]C[6a]N[5])	108.8390	0.000	1	108.8390	0.000	1	108.8390	0.000	1	109.0665	0.104	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:3:1:	4:4:4:3:	4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	H(C[5]C[3,5]C[6a]N[5])	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	H(C[5]C[3,5]C[6a]N[5])	109.2940	0.000	1	109.2940	0.000	1	109.2940	0.000	1	109.0665	0.104	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:3:1:	4:4:4:4:	4:	C[3,5]-4:C[6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]O)(H)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(CC3)	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]O)(H){3|C<3>,6|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(CC3){1|O<1>,2|H<1>,4|C<3>}	H(C[5]C[3,5]C[6a]C[5])	105.7530	0.000	1	105.7530	0.000	1	105.7530	0.000	1	106.6165	1.491	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:3:1:	4:4:4:4:	4:	C[3,5]-4:C[6a]-3:C[5]-3:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C[3]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(H)	C[3,5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]H)(C[3]C[3]HH)2	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]H)(C[3]C[3]HH)2{1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[3,5]C[6a]C[5])	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	106.6165	1.491	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:2:1:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]H)(CH3)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]H)(CH3)(H){1|C<4>,1|O<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|H<1>,1|O<1>}	H(C[5]C[3,5]N[5]C)	109.0540	0.000	1	109.0540	0.000	1	109.3900	0.076	7	109.3900	0.076	7	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:2:1:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|S<4>,2|H<1>}	H(C[5]C[3,5]N[5]C)	109.5440	0.000	1	109.4963	0.019	4	109.3900	0.076	7	109.3900	0.076	7	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:2:1:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H){1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]N[5]CH)(O[3]C[3,5])(H){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[3,5]N[5]C)	109.4803	0.163	3	109.4963	0.019	4	109.3900	0.076	7	109.3900	0.076	7	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:2:1:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHHO)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHHO)(H){3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(H){1|S<4>,2|H<1>}	H(C[5]C[3,5]N[5]C)	109.3455	0.486	2	109.3455	0.236	2	109.3900	0.076	7	109.3900	0.076	7	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:2:4:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|S<4>}	H(C[5]C[3,5]N[5]C)	109.5640	0.395	3	109.4845	0.129	4	109.4845	0.129	4	109.4845	0.129	4	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:2:4:	4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3)	H(C[5]C[3,5]N[5]C)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H){3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3){1|S<4>,2|H<1>}	H(C[5]C[3,5]N[5]C)	109.2460	0.000	1	109.4845	0.129	4	109.4845	0.129	4	109.4845	0.129	4	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-3:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]C[5]H)(C[5]C[5]CH)(H){1|C<4>,2|C<3>,3|O<2>}	H(C[5]C[3,5]C[5]C)	110.0680	0.028	2	110.4540	0.276	4	110.4540	0.276	4	109.6474	3.460	5	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-3:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]C[5]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[3,5]C[5]C)	110.8400	0.482	2	110.4540	0.276	4	110.4540	0.276	4	109.6474	3.460	5	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:4:1:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[3,5](C[3,5]C[3]O[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(H)	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]O[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(H){1|H<1>,3|C<3>}	H(C[5]C[3,5]C[6a]C[5])	106.4210	0.000	1	106.4210	0.000	1	106.4210	0.000	1	109.6474	3.460	5	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:4:2:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:O-2:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(OC)	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]O)(C[6a]C[6a]2)(C[5]C[5]HO)(H){3|C<3>,6|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(OC){1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[3,5]C[6a]C[5])	109.2450	0.000	1	109.2450	0.000	1	109.2450	0.000	1	109.2450	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:4:3:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:N-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]N)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(NOO)	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]N)(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<3>,7|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]HH)(NOO){2|H<1>,4|C<3>}	H(C[5]C[3,5]C[6a]C[5])	109.9550	0.000	1	109.9550	0.000	1	109.9550	0.000	1	110.9460	10.374	3	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:4:3:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[3]-4:C[5]-4:N[3]-3:	C[5]-4:	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S)	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3]C[5]N[3])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[3,5](C[5]C[6a]C[5]H)(C[3]N[3]HH)(C[5]N[5]HH)(N[3]C[3]S){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[3,5]C[6a]C[5])	108.3370	0.000	1	108.3370	0.000	1	108.3370	0.000	1	110.9460	10.374	3	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:4:3:	4:	C[3,5]-4:N[5a]-3:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5a]C[5a]N[5a])(C[5]C[5]CH)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[5]N[5a]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	H(C[5]C[3,5]N[5a]C[5])	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5a]C[5a]N[5a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5]N[5a]C[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[5]C[3,5]N[5a]C[5])	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	110.9460	10.374	3	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-3:C-4:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[5]C)(CC3)(H)	C[3,5](C[3]C[3]Cl2)(C[3]C[3]CC)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]C)(CC3)(H){2|Cl<1>,1|O<1>,2|C<4>,2|H<1>}	C[3,5](C[3]C[3]Cl2)(C[3]C[3]CC)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<1>}	H(C[5]C[3,5]C[5]C)	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	108.1700	3.787	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:3:4:1:	4:4:4:4:	4:	C[3,5]-4:C[6a]-3:C[5]-4:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[3,5](C[3,5]C[3]N[5]C)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(CH3)	H(C[5]C[3,5]C[6a]C[5])	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]N[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[3,5](C[3,5]C[3]N[5]C)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[3,5]C[6a]C[5])	106.7940	0.000	1	106.7940	0.000	1	106.7940	0.000	1	108.1700	3.787	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	3:4:3:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	N[3,5]-3:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5]S[5]HH)(H)2	C[3,5](N[3,5]C[3]S[5])(C[3]N[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]N[3,5]C[6a]C[3])(C[5]S[5]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	C[3,5](N[3,5]C[3]S[5])(C[3]N[3,5]CH)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|O<1>,4|H<1>}	H(C[5]C[3,5]C[5]H)	110.0885	0.032	2	110.0885	0.001	2	110.0885	0.001	2	110.0885	0.001	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	3:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	N[3,5]-3:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>}	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	111.0085	0.022	4	111.0085	0.000	4	111.0085	0.000	4	111.0085	0.000	4	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:2:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]CH)(H)2	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]CH)(H)2{3|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[5]C[3,5]C[5]H)	111.4045	0.053	2	111.4045	0.003	2	111.1865	0.010	14	111.1865	0.010	14	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:2:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5]H)(H)2	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5]H)(H)2{2|C<3>,3|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[3,5]C[5]H)	111.1857	0.028	3	111.1857	0.001	3	111.1865	0.010	14	111.1865	0.010	14	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:2:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(H)2	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(H)2{2|C<3>,3|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	H(C[5]C[3,5]C[5]H)	111.1290	0.012	6	111.1290	0.000	6	111.1865	0.010	14	111.1865	0.010	14	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:2:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HO)(H)2	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]HO)(H)2{1|O<2>,2|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(H){1|C<4>,3|H<1>,3|O<2>}	H(C[5]C[3,5]C[5]H)	111.1570	0.052	3	111.1570	0.003	3	111.1865	0.010	14	111.1865	0.010	14	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:2:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCCH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCCH){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.8220	0.000	1	110.8220	0.000	1	110.8545	0.002	2	110.8545	0.002	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:2:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCl2H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]O[3]C)(C[5]C[5,6]HH)(H)2{2|C<3>}	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCl2H){1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.8870	0.000	1	110.8870	0.000	1	110.8545	0.002	2	110.8545	0.002	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:3:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:N[3]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]N[3]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[3,5](C[3,5]C[5]N[3]H)(N[3]C[3,5]C)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.7365	0.011	2	110.7365	0.000	2	110.7365	0.000	2	111.0675	0.069	6	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:3:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:S[3]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]S[3]H)(C[5]C[5]CS)(H)2	C[3,5](C[3,5]C[5]S[3]H)(S[3]C[3,5]O)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]S[3]H)(C[5]C[5]CS)(H)2{1|O<1>,3|H<1>}	C[3,5](C[3,5]C[5]S[3]H)(S[3]C[3,5]O)(C[5]C[5]HH)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	111.2330	0.077	4	111.2330	0.006	4	111.2330	0.006	4	111.0675	0.069	6	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:3:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5,6a]-3:C[3,5]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[5,6a]C[3,5]2)(C[5]C[5,6a]HH)(H)2	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[5,6a]C[3,5]2)(C[5]C[5,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH){4|C<3>,5|H<1>}	H(C[5]C[3,5]C[5]H)	110.3385	0.012	2	110.3385	0.000	2	110.3385	0.000	2	110.3385	0.000	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:1:	4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[3,5]C[3,5]O[3]H)(H)2	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(H)	H(C[5]C[3,5]2H)	C[5](C[3,5]C[3,5]O[3]C)(C[3,5]C[3,5]O[3]H)(H)2{2|C<4>}	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(H){1|O<2>,2|C<4>}	H(C[5]C[3,5]2H)	110.4460	0.044	2	110.4460	0.002	2	110.4460	0.002	2	111.0554	0.475	40	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:1:	4:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]O[5]H)(H)2	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]C[5,5]HH)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5,5]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]O[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,5]O[3]H)(C[5]C[5,5]HH)(O[3]C[3,5])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5,5]H)	110.6920	0.000	1	110.6920	0.000	1	110.5237	0.021	3	111.0554	0.475	40	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:1:	4:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(H)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HH)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5,5]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(H)2{1|C<3>,3|H<1>,4|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HH)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[3,5]C[5,5]H)	110.4395	0.012	2	110.4395	0.000	2	110.5237	0.021	3	111.0554	0.475	40	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CH)(H)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CH)(H)2{3|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	H(C[5]C[3,5]C[5]H)	110.8310	0.000	1	110.8310	0.000	1	111.1157	2.142	7	111.0554	0.475	40	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(H){1|N<3>,3|H<1>}	H(C[5]C[3,5]C[5]H)	111.1632	1.597	6	111.1632	2.552	6	111.1157	2.142	7	111.0554	0.475	40	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:1:	4:	C[3,5]-4:P[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(P[5]C[5]NO)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]P[5]HH)(O[3]C[3,5])(H)	H(C[5]C[3,5]P[5]H)	C[5](C[3,5]C[3,5]O[3]H)(P[5]C[5]NO)(H)2{3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]P[5]HH)(O[3]C[3,5])(H){1|N<3>,1|O<1>,2|H<1>}	H(C[5]C[3,5]P[5]H)	110.5675	0.048	4	110.5675	0.002	4	110.5675	0.002	4	111.0554	0.475	40	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[5,6]O)(C[3,5]C[3,5,5]O[3]H)(H)2	C[3,5](C[3,5,5]C[5,5,6]C[5]O[3])(C[5]C[5,6]HH)(O[3]C[3,5,5])(H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,5,6]C[5,6]O)(C[3,5]C[3,5,5]O[3]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[3,5](C[3,5,5]C[5,5,6]C[5]O[3])(C[5]C[5,6]HH)(O[3]C[3,5,5])(H){1|O<1>,2|O<2>,3|C<4>}	H(C[5]C[3,5]C[5,6]H)	110.5570	0.038	4	110.5570	0.001	4	110.5570	0.001	4	111.0554	0.475	40	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]C)(C[3,5]C[3,5]O[3]H)(H)2	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[3,5]C[3,5]O[3]H)(H)2{1|H<1>,5|C<4>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H){4|C<4>}	H(C[5]C[3,5]C[5,6]H)	111.3065	0.050	2	111.3065	0.003	2	111.3724	0.003	20	111.0554	0.475	40	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	C[3,5](C[3,5]C[5,6]N[5a]O[3])(C[5]C[5,6]HH)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|H<1>,1|N<3>,4|C<4>}	C[3,5](C[3,5]C[5,6]N[5a]O[3])(C[5]C[5,6]HH)(O[3]C[3,5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[3,5]C[5,6]H)	111.3780	0.040	2	111.3780	0.002	2	111.3724	0.003	20	111.0554	0.475	40	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HH)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	H(C[5]C[3,5]C[5,6]H)	111.3799	0.056	16	111.3799	0.003	16	111.3724	0.003	20	111.0554	0.475	40	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:4:	4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[3,5]C[3,5]O[3]H)(H)2	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(CH3)	H(C[5]C[3,5]2H)	C[5](C[3,5]C[3,5]O[3]C)(C[3,5]C[3,5]O[3]H)(H)2{2|C<4>}	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[3,5]2H)	110.3765	0.090	2	110.3765	0.008	2	110.3765	0.008	2	110.7272	0.059	38	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5,6]HH)(H)2	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.6555	0.021	2	110.6555	0.000	2	110.7466	0.055	36	110.7272	0.059	38	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>}	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CCCH){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.6805	0.243	4	110.6805	0.059	4	110.7466	0.055	36	110.7272	0.059	38	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<4>}	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[3,5]C[5]H)	110.8785	0.029	2	110.8785	0.001	2	110.7466	0.055	36	110.7272	0.059	38	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[3,5]C[5]H)	110.4355	0.334	6	110.4355	0.112	6	110.7466	0.055	36	110.7272	0.059	38	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.8553	0.114	12	110.8596	0.011	14	110.7466	0.055	36	110.7272	0.059	38	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.8855	0.030	2	110.8596	0.011	14	110.7466	0.055	36	110.7272	0.059	38	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:2:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CH3)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(H)2{1|N<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|N<3>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.8051	0.161	8	110.8051	0.026	8	110.7466	0.055	36	110.7272	0.059	38	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:3:1:	4:	C[3,5]-4:Si[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:N[3]-3:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]N[3]H)(Si[5]C[6a]2C[5])(H)2	C[3,5](C[3,5]C[5]N[3]H)(C[5]Si[5]HH)(N[3]C[3,5]S)(H)	H(C[5]C[3,5]Si[5]H)	C[5](C[3,5]C[3,5]N[3]H)(Si[5]C[6a]2C[5])(H)2{1|S<4>,3|H<1>,4|C<3>}	C[3,5](C[3,5]C[5]N[3]H)(C[5]Si[5]HH)(N[3]C[3,5]S)(H){2|C<3>,2|H<1>}	H(C[5]C[3,5]Si[5]H)	110.3353	0.775	12	110.3353	0.600	12	110.3353	0.600	12	110.3353	0.600	12	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:3:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5,6,6]2C[5,6a])(C[5]C[5,6a]HH)(H)2	C[3,5](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6,6]2C[5,6a])(C[5]C[5,6a]HH)(H)2{6|C<3>}	C[3,5](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){10|C<3>,3|H<1>}	H(C[5]C[3,5]C[5]H)	111.1705	0.005	2	111.1705	0.000	2	111.1705	0.000	2	110.9020	0.062	5	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:3:4:	4:	C[3,5]-4:N[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5,5]CH)(H)2	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5,5]CH)(H)2{1|H<1>,6|C<3>}	C[3,5](C[3,5]C[5,5]C[6a]C[3])(C[3]C[3,5]C[6a]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,3|H<1>,8|C<3>}	H(C[5]C[3,5]N[5]H)	110.6600	0.000	1	110.6600	0.000	1	110.7230	0.003	3	110.9020	0.062	5	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:3:4:	4:	C[3,5]-4:N[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(H)2{2|C<3>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH){2|C<3>,6|H<1>}	H(C[5]C[3,5]N[5]H)	110.7545	0.006	2	110.7545	0.000	2	110.7230	0.003	3	110.9020	0.062	5	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[3,5]C[3,5]C[3]H)(H)2	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[3,5]HH)(H)	H(C[5]C[3,5]2H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[3,5]C[3,5]C[3]H)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[3,5](C[3,5]C[3,5]C[6a]C[3])(C[3]C[3,5]HH)(C[5]C[3,5]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[3,5]2H)	110.4105	0.443	2	110.4105	0.197	2	110.4105	0.197	2	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2	C[3,5](C[3,5]C[5,5]C[3]O)(C[3]C[3,5]HH)(C[5]C[5,5]HH)(H)	H(C[5]C[3,5]C[5,5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2{1|C<4>,1|F<1>,2|O<2>,4|H<1>}	C[3,5](C[3,5]C[5,5]C[3]O)(C[3]C[3,5]HH)(C[5]C[5,5]HH)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[3,5]C[5,5]H)	110.5630	0.075	2	111.2918	3.982	4	111.2918	3.982	4	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2	C[3,5](C[3,5]C[5,5]C[3]O)(C[3]C[3,5]HH)(C[5]C[5,5]HH)(H)	H(C[5]C[3,5]C[5,5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]C[5]O)(H)2{1|C<4>,2|O<2>,5|H<1>}	C[3,5](C[3,5]C[5,5]C[3]O)(C[3]C[3,5]HH)(C[5]C[5,5]HH)(H){1|C<4>,1|H<1>,2|O<2>}	H(C[5]C[3,5]C[5,5]H)	112.0205	3.133	2	111.2918	3.982	4	111.2918	3.982	4	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:F-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(F)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]FH)(H)	H(C[5]C[3,5]C[5]F)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(F)(H){1|N<4>,2|C<3>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]FH)(H){1|C<3>,1|N<4>,2|H<1>}	H(C[5]C[3,5]C[5]F)	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6])(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C[6])(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.9561	0.054	7	110.9561	0.003	7	110.9264	0.006	9	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.8225	0.028	2	110.8225	0.001	2	110.9264	0.006	9	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(H)2	C[3,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(H)2{2|C<4>,3|H<1>}	C[3,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5]HH)(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.6630	0.030	2	110.6630	0.001	2	110.6630	0.001	2	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.8450	0.049	10	111.0128	0.476	34	111.0128	0.476	34	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<4>}	H(C[5]C[3,5]C[5]H)	110.7435	0.069	4	111.0128	0.476	34	111.0128	0.476	34	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[3,5]C[5]H)	110.8035	0.005	2	111.0128	0.476	34	111.0128	0.476	34	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	111.1891	0.922	18	111.0128	0.476	34	111.0128	0.476	34	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]2H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,6|H<1>}	H(C[5]C[3,5]C[5]H)	109.1035	2.008	4	109.1035	4.032	4	109.1035	4.032	4	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3,6]H)(C[5]C[5]CC)(H)2	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3,6]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[3,5](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]2)(C[5]C[5]HH)(H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	H(C[5]C[3,5]C[5]H)	112.8475	2.600	2	112.8475	6.760	2	112.8475	6.760	2	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:Br-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]Br)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(Br)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]Br)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(Br){1|O<1>,2|H<1>}	H(C[5]C[3,5]C[5]H)	115.5763	6.996	4	115.5763	48.945	4	115.5763	48.945	4	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2	C[3,5](C[3,5]C[5,5]C[3]C)(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,5]C[3]C)(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.3038	0.575	4	110.3038	0.331	4	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5,5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.9310	0.000	1	110.9310	0.000	1	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2	C[3,5](C[3,5]C[3]C[5]N)(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]N)(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|H<1>,3|C<3>}	H(C[5]C[3,5]C[5]H)	110.5235	0.032	2	110.5427	0.001	4	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2	C[3,5](C[3,5]C[3]C[5]N)(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]N)(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[3,5]C[5]H)	110.5620	0.037	2	110.5427	0.001	4	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[3,5]C[5]H)	111.5660	2.283	2	110.2963	20.683	4	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	109.0265	7.099	2	110.2963	20.683	4	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]C[5]HH)(H){4|H<1>}	H(C[5]C[3,5]C[5]H)	110.5740	0.042	2	110.5740	0.002	2	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]C[6]C)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]C[6]C)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.5977	0.229	3	110.5977	0.052	3	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	111.0655	0.668	2	111.0655	0.447	2	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]HH)(H){1|N<3>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.2400	0.013	2	110.5482	3.844	6	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]HH)(H){4|H<1>}	H(C[5]C[3,5]C[5]H)	110.7022	2.512	4	110.5482	3.844	6	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|N<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|N<3>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.7530	0.018	2	110.7530	0.000	2	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.7165	0.023	4	110.7165	0.001	4	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.6516	0.111	10	110.6516	0.012	10	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]P)(C[3]C[3,5]CC)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|O<1>,1|P<4>,2|C<4>}	C[3,5](C[3,5]C[3]C[5]P)(C[3]C[3,5]CC)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.4665	0.043	2	110.4665	0.002	2	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]CC)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|C<4>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]CC)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	H(C[5]C[3,5]C[5]H)	108.6080	3.632	2	108.6080	13.189	2	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.6713	2.176	4	110.6713	4.734	4	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CC)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CC)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.7220	0.000	1	110.7220	0.000	1	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)2	C[3,5](C[3,5]C[3]C[5]O)(C[3]C[3,5]CH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]O)(C[3]C[3,5]CH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.4965	0.016	2	110.4965	0.000	2	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6]O[5]H)(H)2	C[3,5](C[3,5]C[3]O[5]C)(C[3]C[3,5]FF)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6]O[5]H)(H)2{1|C<4>,2|C<3>,2|F<1>}	C[3,5](C[3,5]C[3]O[5]C)(C[3]C[3,5]FF)(C[5]C[5]HH)(H){1|H<1>,1|N<3>}	H(C[5]C[3,5]C[5]H)	111.1975	0.008	2	111.1975	0.000	2	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(H)2	C[3,5](C[3,5]C[3]O[5]C)(C[3]C[3,5]FF)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(H)2{1|C<4>,2|C<3>,2|F<1>}	C[3,5](C[3,5]C[3]O[5]C)(C[3]C[3,5]FF)(C[5]C[5]HH)(H){1|H<1>,1|N<3>}	H(C[5]C[3,5]C[5]H)	110.7005	0.022	2	110.7005	0.000	2	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]S[5]HH)(H)2	C[3,5](C[3,5]C[3]S[5]C)(C[3]C[3,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]S[5]HH)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3,5]C[3]S[5]C)(C[3]C[3,5]HH)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.2530	0.004	2	110.2530	0.000	2	110.5356	2.078	59	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,6]-4:C[3,5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(H)2	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[3,5](C[3,6]C[3,5,6]C[6a]C[6])(C[3,5,6]C[3,6]C[5]C[6])(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[5]C[3,5]C[5]H)	109.6300	2.548	2	109.6300	6.494	2	109.6300	6.494	2	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(H)2{2|C<3>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]C)(C[5]C[5]HH)(H){2|H<1>,4|C<3>}	H(C[5]C[3,5]C[5]H)	110.0270	0.154	2	110.0270	0.024	2	110.1692	2.107	12	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]C)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]C)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	H(C[5]C[3,5]C[5]H)	109.5885	2.614	4	109.5885	6.831	4	110.1692	2.107	12	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]SS)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]2C[5])(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]SS)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]2C[5])(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|S<4>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.4975	0.022	4	110.4975	0.001	4	110.1692	2.107	12	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]HH)(H)2	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.8160	0.008	2	110.8160	0.000	2	110.1692	2.107	12	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	N[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HO)(H)2	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HO)(H)2{1|C<4>,4|H<1>}	C[3,5](N[3,5]C[3]C[5]C)(C[3]N[3,5]HH)(C[5]C[5]HH)(H){1|O<2>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.7015	0.086	2	110.7015	0.007	2	110.7015	0.007	2	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:N[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(H)2	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H)	H(C[5]C[3,5]N[5]H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]HH)(C[5]N[5]HH)(H){2|C<3>,4|H<1>}	H(C[5]C[3,5]N[5]H)	111.0740	0.017	2	111.0740	0.000	2	111.0740	0.000	2	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3,5]C[3]H)(H)2	C[3,5](C[3,5]C[5,5,6]C[3]H)(C[5]C[5,5,6]HH)(C[3]C[3,5]Br2)(H)	H(C[5]C[5,5,6]C[3,5]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3,5]C[3]H)(H)2{2|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,5,6]C[3]H)(C[5]C[5,5,6]HH)(C[3]C[3,5]Br2)(H){2|C<4>,2|H<1>}	H(C[5]C[5,5,6]C[3,5]H)	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	110.7925	3.389	140	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5]-4:C[5,5]-4:H-1:H-1:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5,5]2H)(H)2	C[3,5](C[3]C[5]O[3]H)(C[5]C[5,5]CH)(C[5]C[5,5]HH)(O[3]C[3])	H(C[5]C[3,5]C[5,5]H)	C[5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5,5]2H)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[3,5](C[3]C[5]O[3]H)(C[5]C[5,5]CH)(C[5]C[5,5]HH)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[3,5]C[5,5]H)	110.7110	0.023	2	110.7110	0.001	2	110.7110	0.001	2	110.6022	0.915	18	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[3]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[5,6]C[3]O[3])(C[5,6]O[5,6]C[6]C)(H)2	C[3,5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(C[3]O[3]HH)(O[3]C[3])	H(C[5]C[3,5]C[5,6]H)	C[5](C[3,5]C[5,6]C[3]O[3])(C[5,6]O[5,6]C[6]C)(H)2{3|C<4>,4|H<1>}	C[3,5](C[5,6]C[5,6]O[5,6]C)(C[5]C[5,6]HH)(C[3]O[3]HH)(O[3]C[3]){2|O<2>,3|C<4>}	H(C[5]C[3,5]C[5,6]H)	111.0170	0.042	2	111.0170	0.002	2	111.0170	0.002	2	110.6022	0.915	18	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]C)(H)2	C[3,5](C[3]C[3]HH)2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]C)(H)2{3|C<3>,5|H<1>}	C[3,5](C[3]C[3]HH)2(C[5]C[5]HH)(O[5]C[5]){1|H<1>,3|C<3>}	H(C[5]C[3,5]C[5]H)	108.2970	1.718	2	108.2970	2.952	2	108.2970	2.952	2	110.6022	0.915	18	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(H)2	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3])	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3]){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[3,5]C[5]H)	110.7255	0.006	2	110.7255	0.000	2	110.7255	0.000	2	110.6022	0.915	18	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[3]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[5,6]C[3]O[3])(C[5]C[5,6]HH)(H)2	C[3,5](C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(C[5]C[5]HH)(O[3]C[3])	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[5,6]C[3]O[3])(C[5]C[5,6]HH)(H)2{3|C<4>,3|H<1>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(C[5]C[5]HH)(O[3]C[3]){2|C<4>,5|H<1>}	H(C[5]C[3,5]C[5]H)	110.7170	0.027	2	110.7170	0.001	2	110.7170	0.001	2	110.6022	0.915	18	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	P[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[5]O[3]P[3])(C[5]C[5]HH)(H)2	C[3,5](P[3]C[5]O[3]W)(C[5]C[5]HH)2(O[3]P[3])	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[5]O[3]P[3])(C[5]C[5]HH)(H)2{1|C<4>,1|W<6>,4|H<1>}	C[3,5](P[3]C[5]O[3]W)(C[5]C[5]HH)2(O[3]P[3]){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[3,5]C[5]H)	110.9881	0.226	8	110.9881	0.051	8	110.9881	0.051	8	110.6022	0.915	18	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[3,5]C[3,5]C[3]H)(H)2	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[3,5]HH)(C[6a]C[6a]2)	H(C[5]C[3,5]2H)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[3,5]C[3,5]C[3]H)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]CH)(C[5]C[3,5]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[3,5]2H)	110.4460	0.096	2	110.4460	0.009	2	110.4460	0.009	2	110.6313	0.524	15	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]HH)(CCO)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	H(C[5]C[3,5]C[5]H)	110.0830	0.660	2	110.0830	0.436	2	110.0830	0.436	2	110.6313	0.524	15	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CC)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[5]HH)(CHO)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CC)(H)2{1|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[5]HH)(CHO){2|H<1>,4|C<3>}	H(C[5]C[3,5]C[5]H)	110.1140	0.173	2	110.1140	0.030	2	110.1140	0.030	2	110.6313	0.524	15	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]O[5]HH)(H)2	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,3|H<1>}	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	111.4312	0.014	5	111.4312	0.000	5	111.4312	0.000	5	110.6313	0.524	15	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:3:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[3,5]C[3]2N[5])(C[5]C[6a]C[5]C)(H)2	C[3,5](C[3]C[3]HH)2(C[5]C[5]HH)(N[5]C[5]C)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2N[5])(C[5]C[6a]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3,5](C[3]C[3]HH)2(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>}	H(C[5]C[3,5]C[5]H)	110.9220	0.006	2	110.9220	0.000	2	110.9220	0.000	2	110.6313	0.524	15	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:3:	4:	C[5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]2C[5])(H)2	C[3,5](C[3,5]C[3,5]C[5]H)2(C[5]C[5,6]HH)(C[5]C[5,6]O)	H(C[5]C[3,5]C[5,6]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]2C[5])(H)2{1|O<1>,3|H<1>,6|C<4>}	C[3,5](C[3,5]C[3,5]C[5]H)2(C[5]C[5,6]HH)(C[5]C[5,6]O){4|C<4>,5|H<1>}	H(C[5]C[3,5]C[5,6]H)	109.5915	0.350	2	109.5915	0.123	2	109.5915	0.123	2	110.6313	0.524	15	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5,6]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[5]-4:	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[3,5]C[3,5]C[3]C)(H)2	C[3,5](C[3,5]C[3,5]C[3]O)(C[5]C[3,5,6]HH)(C[3]C[3,5]HH)(CH3)	H(C[5]C[3,5,6]C[3,5]H)	C[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[3,5]C[3,5]C[3]C)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[3,5](C[3,5]C[3,5]C[3]O)(C[5]C[3,5,6]HH)(C[3]C[3,5]HH)(CH3){1|H<1>,2|C<4>}	H(C[5]C[3,5,6]C[3,5]H)	110.3487	0.092	3	110.3487	0.008	3	110.3487	0.008	3	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5,6]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5,6]C[5,6]C[6]H)(H)2	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]HH)(CCCH)	H(C[5]C[3,5]C[5,6]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5,6]C[5,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,6]HH)(CCCH){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5,6]H)	110.5093	0.014	4	110.5093	0.000	4	110.5093	0.000	4	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,5]-4:C[3]-4:C[5]-4:Si-4:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3]Si)(C[5]C[5,5]HH)(H)2	C[3,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5]HH)(SiC3)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,5]C[3]Si)(C[5]C[5,5]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5]HH)(SiC3){1|C<4>,2|N<3>,4|H<1>}	H(C[5]C[3,5]C[5]H)	110.3555	0.012	2	110.3555	0.000	2	110.3555	0.000	2	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(CCCH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]HH)(CCCH){1|C<3>,2|C<4>,4|H<1>}	H(C[5]C[3,5]C[5]H)	110.5680	0.025	2	110.5680	0.001	2	110.5680	0.001	2	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]2C)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]2C)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[3,5](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[5]C[3,5]C[5]H)	110.1705	0.009	2	110.1705	0.000	2	110.1705	0.000	2	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,6]HH)(H)2	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CCCH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5,6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[3,5](C[3,5]C[5,6]C[3]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CCCH){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.7278	0.092	4	110.7278	0.008	4	111.2140	1.092	12	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CCCH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CCCH){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.6060	0.033	2	110.6060	0.001	2	111.2140	1.092	12	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CCHO)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|O<1>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HH)(CCHO){1|O<1>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.6360	0.010	2	110.6360	0.000	2	111.2140	1.092	12	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|N<2>,1|S<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(CH3){1|N<2>,2|H<1>}	H(C[5]C[3,5]C[5]H)	111.3100	0.020	2	111.3100	0.000	2	111.2140	1.092	12	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(CHHO)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{1|O<1>,1|S<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(C[5]C[5]HH)(CHHO){1|O<1>,2|H<1>}	H(C[5]C[3,5]C[5]H)	113.2765	1.053	2	113.2765	1.109	2	111.2140	1.092	12	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]2)(C[5]C[5]SS)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5,6]2H)(C[5]C[5]HH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]2)(C[5]C[5]SS)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3,5,6]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|S<4>,4|H<1>}	H(C[5]C[3,5]C[5]H)	110.3620	0.023	2	110.3620	0.001	2	110.4172	0.005	4	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3,5]-4:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]2)(C[5]C[5]SS)(H)2	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]C[5]HH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]2)(C[5]C[5]SS)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[3]C[3]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|S<4>,4|H<1>}	H(C[5]C[3,5]C[5]H)	110.4725	0.032	2	110.4725	0.001	2	110.4172	0.005	4	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]C[5]HH)(CCHH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(C[5]C[5]HH)(CCHH){2|C<3>,4|H<1>}	H(C[5]C[3,5]C[5]H)	110.0217	3.018	4	110.0217	9.111	4	110.0217	9.111	4	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(H)2	C[3,5](C[3]C[3]C[6]H)(C[3]C[3]HH)(C[5]C[5]HH)2	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(H)2{1|C<3>,7|H<1>}	C[3,5](C[3]C[3]C[6]H)(C[3]C[3]HH)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	H(C[5]C[3,5]C[5]H)	110.8065	0.084	4	110.8065	0.007	4	111.1610	2.210	6	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]C)(H)2	C[3,5](C[3]C[3]HH)2(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]C)(H)2{3|C<3>,7|H<1>}	C[3,5](C[3]C[3]HH)2(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	111.8700	3.086	2	111.8700	9.522	2	111.1610	2.210	6	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[3]-4:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[4,5]C[3]2)(C[5]N[5]HH)(H)2	C[3,5](C[4,5]C[4]2N[5])(C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[4,5]C[3]2)(C[5]N[5]HH)(H)2{2|F<1>,2|H<1>,3|C<4>}	C[3,5](C[4,5]C[4]2N[5])(C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HH){1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[3,5]C[5]H)	111.0085	0.019	2	111.0085	0.000	2	111.0085	0.000	2	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[3]-4:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]C[6a]C)(H)2	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]C[3]HH)2(C[5]C[5]HH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]C[6a]C)(H)2{1|C<4>,3|C<3>,6|H<1>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3]C[3]HH)2(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[5]C[3,5]C[5]H)	109.8490	0.047	2	109.8490	0.002	2	109.8490	0.002	2	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	4:4:4:4:	4:	C[3,5]-4:P[5]-4:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(P[5]C[5]CC)(H)2	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]P[5]HH)(CH3)	H(C[5]C[3,5]P[5]H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(P[5]C[5]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]P[5]HH)(CH3){1|B<4>,1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[3,5]P[5]H)	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	110.6906	1.404	44	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:1:1:	5:5:3:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	B[3,3]-5:B[3,3]-5:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[3,5]C[5,6a]B[3,3]2)(C[5]C[5,6a]HP)(H)2	C[3,5](B[3,3]B[3,3]C[6a]2H[3])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	H(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[5,6a]B[3,3]2)(C[5]C[5,6a]HP)(H)2{1|H<2>,6|C<3>}	C[3,5](B[3,3]B[3,3]C[6a]2H[3])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){10|C<3>,1|P<3>,2|H<1>}	H(C[5]C[3,5]C[5]H)	110.7310	0.013	2	110.7310	0.000	2	110.7310	0.000	2	110.7310	0.000	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	3:3:4:1:	4:	C[3,5]-4:C-4:O[5]-2:H-1:	N[3,5]-3:C[3]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(H)	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]C)(C[5]O[5]CH)(H)	H(C[5]C[3,5]O[5]C)	C[5](C[3,5]N[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C[3,5](N[3,5]C[3]C[5])(C[3]N[3,5]C)(C[5]O[5]CH)(H){1|O<1>}	H(C[5]C[3,5]O[5]C)	110.1780	0.000	1	110.1780	0.000	1	110.1780	0.000	1	110.1780	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	3:4:4:4:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[5,6a]-3:C[3]-4:C[3]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C[6a]H)(OH)(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]C[5]HO)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C[6a]H)(OH)(H){4|C<3>,4|H<1>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]HH)2(C[5]C[5]HO){2|H<1>,3|C<3>}	H(C[5]C[3,5]C[5]O)	111.4300	0.482	2	111.4300	0.233	2	111.4300	0.233	2	111.4300	0.233	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:2:4:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:O[3]-2:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(OH)(H)	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(OH)(H){2|C<3>,3|C<4>}	C[3,5](C[3,5,6]C[5,6]C[6,6]O[3])(O[3]C[3,5,6])(C[5]C[5]HO)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[3,5]C[5]O)	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5]-4:C[5,5]-4:N-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(NN)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HN)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5,5]N)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5]2N[5])(NN)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5,5]HN)(O[3]C[3,5])(H){1|C<4>,1|N<2>,1|O<1>}	H(C[5]C[3,5]C[5,5]N)	112.8435	0.433	2	112.8435	0.188	2	112.8435	0.188	2	111.7902	3.870	6	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(OC)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HO)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(OC)(H){1|N<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HO)(O[3]C[3,5])(H){1|N<3>,3|H<1>}	H(C[5]C[3,5]C[5]O)	113.9020	0.000	1	113.9020	0.000	1	113.9020	0.000	1	111.7902	3.870	6	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]O[5]H)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]O[5])	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,4|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]O[5]H)(O[3]C[3,5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[5]C[3,5]C[5]O[5])	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	111.7902	3.870	6	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[3,5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(OH)(H)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H){1|H<1>,3|C<4>}	H(C[5]C[3,5]C[5,6]O)	110.5000	0.000	1	110.5000	0.000	1	111.3165	1.333	2	111.7902	3.870	6	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C[3,5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]O)(C[3,5]C[3,5]O[3]H)(OC)(H)	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6,6]O)(C[3,5]C[3,5]O[3]H)(OC)(H){1|H<1>,5|C<4>}	C[3,5](C[3,5]C[5,6]O[3]C)(C[5]C[5,6]HO)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	H(C[5]C[3,5]C[5,6]O)	112.1330	0.000	1	112.1330	0.000	1	111.3165	1.333	2	111.7902	3.870	6	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:2:4:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(OH)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HO)(O[3]C[3,5])(CCCH)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(OH)(H){1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HO)(O[3]C[3,5])(CCCH){1|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]O)	110.4355	0.228	2	110.4355	0.052	2	110.4355	0.052	2	110.4355	0.052	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5]-4:C[5,6]-4:O-2:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H)	C[3,5](C[3,5,6]C[5,6,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5,6]HO)(H)	H(C[5]C[3,5]C[5,6]O)	C[5](C[3,5]C[3,5,6]C[3]H)(C[5,6]C[5,6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[3,5](C[3,5,6]C[5,6,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5,6]HO)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5,6]O)	107.4390	0.000	1	107.4390	0.000	1	107.4390	0.000	1	110.5332	1.559	17	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:N-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]HN)(H)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)(NN)(H){1|C<3>,1|O<2>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]HH)(C[5]C[5]HN)(H){2|H<1>,2|O<2>}	H(C[5]C[3,5]C[5]N)	112.6900	0.000	1	112.6900	0.000	1	112.6900	0.000	1	110.5332	1.559	17	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(OSi)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HO)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(OSi)(H){1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HO)(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[3,5]C[5]O)	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	110.5332	1.559	17	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]HO)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]HO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]O)	110.2440	0.256	2	110.2440	0.066	2	110.5259	0.741	14	110.5332	1.559	17	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]HO)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]HO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]O)	110.2491	0.865	7	110.2491	0.749	7	110.5259	0.741	14	110.5332	1.559	17	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OC)(H){1|O<2>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[3,5]C[5]O)	111.3700	0.008	2	111.3700	0.000	2	110.5259	0.741	14	110.5332	1.559	17	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OS)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(OS)(H){1|O<1>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>}	H(C[5]C[3,5]C[5]O)	109.4470	0.000	1	109.4470	0.000	1	110.5259	0.741	14	110.5332	1.559	17	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(OH)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(OH)(H){1|N<3>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(H){1|N<3>,3|H<1>}	H(C[5]C[3,5]C[5]O)	111.4290	0.000	1	111.4290	0.000	1	110.5259	0.741	14	110.5332	1.559	17	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(OH)(H)	C[3,5](C[3,5]C[3]O[5]C)(C[3]C[3,5]FF)(C[5]C[5]HO)(H)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(OH)(H){1|C<4>,2|C<3>,2|F<1>}	C[3,5](C[3,5]C[3]O[5]C)(C[3]C[3,5]FF)(C[5]C[5]HO)(H){1|H<1>,1|N<3>}	H(C[5]C[3,5]C[5]O)	111.5150	0.000	1	111.5150	0.000	1	110.5259	0.741	14	110.5332	1.559	17	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(OH)(H)	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5])	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(OH)(H){1|N<3>,2|F<1>,3|H<1>}	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5]){1|N<3>,3|H<1>}	H(C[5]C[3,5]C[5]O)	111.8780	0.795	2	111.8780	0.632	2	111.8213	0.325	3	109.7875	5.280	6	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HO)(OH)(H)	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5])	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HO)(OH)(H){1|N<3>,2|F<1>,3|H<1>}	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5]){1|N<3>,1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]O)	111.7080	0.000	1	111.7080	0.000	1	111.8213	0.325	3	109.7875	5.280	6	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]CH)(O[5]C[5])(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]CH)(O[3]C[3,5])	H(C[5]C[3,5]C[5]O[5])	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<4>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]CH)(O[3]C[3,5]){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[3,5]C[5]O[5])	107.7537	0.681	3	107.7537	0.464	3	107.7537	0.464	3	109.7875	5.280	6	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:3:	4:	C[3,5]-4:C[5,5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5,5]C[5,5]O[5]H)(OH)(H)	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,5]HO)(COO)	H(C[5]C[3,5]C[5,5]O)	C[5](C[3,5]C[3,5]C[3]C)(C[5,5]C[5,5]O[5]H)(OH)(H){1|C<4>,1|O<2>,4|H<1>}	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[5]C[5,5]HO)(COO){2|H<1>,2|O<2>}	H(C[5]C[3,5]C[5,5]O)	110.5340	0.000	1	110.5340	0.000	1	110.5340	0.000	1	110.2825	0.127	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:3:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(OC)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(CHN)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(OC)(H){1|N<2>,4|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HO)(CHN){1|N<2>,1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]O)	110.0310	0.000	1	110.0310	0.000	1	110.0310	0.000	1	110.2825	0.127	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:2:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:O-2:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5]HO)(CH3)	H(C[5]C[3,5]C[5]O)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5]HO)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[3,5]C[5]O)	109.3040	0.867	2	109.3040	0.752	2	109.3040	0.752	2	109.3040	0.752	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:2:1:	4:	C[3,5]-4:C[5,6]-4:C[6a]-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]C[6a]H)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5,6]C[6a])	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5,6]C[6a]H)(O[3]C[3,5])(H){1|H<1>,2|C<3>,3|C<4>}	H(C[5]C[3,5]C[5,6]C[6a])	106.6230	0.000	1	106.6230	0.000	1	106.6230	0.000	1	108.2186	4.807	12	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:C-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]C)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]C)(H){1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	H(C[5]C[3,5]C[5]C)	108.1355	0.054	2	108.1355	0.003	2	108.1355	0.003	2	108.2186	4.807	12	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H){1|O<2>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){1|O<2>,3|H<1>}	H(C[5]C[3,5]C[5]N)	104.2480	0.000	1	106.4253	2.939	4	108.4143	6.246	9	108.2186	4.807	12	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCC)(H){3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){4|H<1>}	H(C[5]C[3,5]C[5]N)	107.1510	1.117	3	106.4253	2.939	4	108.4143	6.246	9	108.2186	4.807	12	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCH)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NCH)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HN)(O[3]C[3,5])(H){1|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]N)	113.1380	0.000	1	113.1380	0.000	1	108.4143	6.246	9	108.2186	4.807	12	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NHS)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HN)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(NHS)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HN)(O[3]C[3,5])(H){4|H<1>}	H(C[5]C[3,5]C[5]N)	109.2225	0.367	4	109.2225	0.135	4	108.4143	6.246	9	108.2186	4.807	12	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:2:4:	4:	C[3,5]-4:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[3,5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[3,5](C[5]C[5,5]C[6a]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CH3)	H(C[5]C[3,5]C[5,5]C[6a])	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){2|C<3>,4|C<4>,6|H<1>}	C[3,5](C[5]C[5,5]C[6a]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[3,5]C[5,5]C[6a])	106.1050	0.000	1	106.1050	0.000	1	106.1050	0.000	1	107.1240	2.077	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:2:4:	4:	C[3,5]-4:C[5]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(CH3)	H(C[5]C[3,5]C[5]2)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[3,5]C[5]2)	108.1430	0.000	1	108.1430	0.000	1	108.1430	0.000	1	107.1240	2.077	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:3:4:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]HH)(NC[6a]H)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6a]C[6a]2)(C[5]C[5]HN)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[5]C[5]HH)(NC[6a]H)(H){3|H<1>,4|C<3>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[6a]C[6a]2)(C[5]C[5]HN){2|C<3>,6|H<1>}	H(C[5]C[3,5]C[5]N)	110.3570	0.000	1	110.3570	0.000	1	110.3570	0.000	1	110.3570	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]HN)(H)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H){2|C<4>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]HN)(H){4|H<1>}	H(C[5]C[3,5]C[5]N)	113.2880	0.000	1	113.2880	0.000	1	112.8860	0.323	2	112.8860	0.323	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:4:1:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HN)(H)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NHS)(H){5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]HN)(H){4|H<1>}	H(C[5]C[3,5]C[5]N)	112.4840	0.000	1	112.4840	0.000	1	112.8860	0.323	2	112.8860	0.323	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:C[5]-3:H-1:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)(H)	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3])	H(C[5]C[3,5]C[5]2)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]C)(H){1|C<3>,4|C<4>,4|H<1>}	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3]){1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]2)	107.8490	0.044	3	107.8490	0.002	3	107.8490	0.002	3	107.8490	0.002	3	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:4:3:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H)(NCN)(H)	C[3,5](C[3]C[3]HH)2(C[5]C[5]HN)(C[5]C[5]H)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H)(NCN)(H){2|C<3>,6|H<1>}	C[3,5](C[3]C[3]HH)2(C[5]C[5]HN)(C[5]C[5]H){1|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]N)	109.1640	0.000	1	109.1640	0.000	1	109.1640	0.000	1	108.8297	9.087	3	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:4:3:	4:	C[3,5]-4:P[5]-4:C-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]C)(P[5]C[5,5]OW)(COO)(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]P[5]CH)(COO)	H(C[5]C[3,5]P[5]C)	C[5](C[3,5]C[3,5,5]C[3,5]C)(P[5]C[5,5]OW)(COO)(H){2|C<3>,3|C<4>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]P[5]CH)(COO){1|C<3>,1|O<2>,1|W<6>,2|C<4>}	H(C[5]C[3,5]P[5]C)	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	108.8297	9.087	3	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:4:3:	4:	C[3,5]-4:P[5]-4:C[6a]-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]C)(P[5]C[5,5]OW)(C[6a]C[6a]2)(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[6a]P[5]H)(COO)	H(C[5]C[3,5]C[6a]P[5])	C[5](C[3,5]C[3,5,5]C[3,5]C)(P[5]C[5,5]OW)(C[6a]C[6a]2)(H){2|H<1>,3|C<4>,4|C<3>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[6a]P[5]H)(COO){1|O<2>,1|W<6>,2|C<4>,3|C<3>}	H(C[5]C[3,5]C[6a]P[5])	105.6620	0.000	1	105.6620	0.000	1	105.6620	0.000	1	108.8297	9.087	3	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5]-4:C-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CH)(CH3)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[5]H)(C[5]C[5]CH)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[5]C[3,5]C[5]C)	106.4190	0.502	2	106.4190	0.252	2	106.4190	0.252	2	108.7906	4.654	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:C-3:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HH)(COO)(H)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5]CH)(CHHO)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HH)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5]CH)(CHHO){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[3,5]C[5]C)	108.9185	0.047	2	108.9185	0.002	2	108.9185	0.002	2	108.7906	4.654	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:C-3:H-1:	C[3,5,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3]C)(C[5]C[5,5]HH)(CCH)(H)	C[3,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5]CH)(CHHO)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5,5]C[3]C)(C[5]C[5,5]HH)(CCH)(H){2|C<4>,3|H<1>}	C[3,5](C[3,5,5]C[5,5]C[3]C[5])(C[3]C[3,5,5]HH)(C[5]C[5]CH)(CHHO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[3,5]C[5]C)	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	108.7906	4.654	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:C-3:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(COO)(H)	C[3,5](C[3]C[3]HH)2(C[5]C[5]CH)(C[5]C[5]HH)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]HH)(COO)(H){2|C<3>,6|H<1>}	C[3,5](C[3]C[3]HH)2(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]C)	113.0470	0.000	1	113.0470	0.000	1	113.0470	0.000	1	108.7906	4.654	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]CH)(NHS)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HN)(CCHH)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]CH)(NHS)(H){1|O<2>,2|C<3>,2|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]HN)(CCHH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[3,5]C[5]N)	108.1690	0.000	1	108.1690	0.000	1	108.1690	0.000	1	108.7906	4.654	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:3:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:N-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(NCH)(H)	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]HN)(SC[6a]OO)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(NCH)(H){3|H<1>}	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]HN)(SC[6a]OO){1|H<1>,1|O<2>}	H(C[5]C[3,5]C[5]N)	108.1740	0.000	1	108.1740	0.000	1	108.1740	0.000	1	108.7906	4.654	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	3:4:4:2:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[3,6]-4:C[5]-4:S[3]-2:	C[5]-4:	C[5](C[3,5]C[5,6a]C[3,6]S[3])(C[5]C[5,6a]HH)(CH3)(H)	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6])	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[5,6a]C[3,6]S[3])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C[3,5](C[5,6a]C[6a,6a]C[5,6a])(C[3,6]C[6,6a]2S[3])(C[5]C[5]CH)(S[3]C[3,6]){2|H<1>,7|C<3>}	H(C[5]C[3,5]C[5]C)	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:3:4:2:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH)(CC[6a]HH)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5])	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH)(CC[6a]HH)(H){1|H<1>,4|C<3>}	C[3,5](C[3,5]C[5]O[3]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[3]C[3,5]){3|H<1>,5|C<3>}	H(C[5]C[3,5]C[5]C)	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]C[5]H)(CCCH)(H)	C[3,5](C[3,5]C[5,5]O[3]C)(C[5]C[5,5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5,5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]C[5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[3,5](C[3,5]C[5,5]O[3]C)(C[5]C[5,5]CH)(O[3]C[3,5])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5]C[3,5]C[5,5]C)	103.4830	0.000	1	103.4830	0.000	1	103.4830	0.000	1	106.2994	6.118	13	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6,6]CO)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6,6]CO)(H){1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	H(C[5]C[3,5]C[5]C)	105.7880	0.000	1	105.7880	0.000	1	106.9643	5.966	10	106.2994	6.118	13	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]CO)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CC[6]CO)(H){1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<2>,3|C<4>}	H(C[5]C[3,5]C[5]C)	105.8087	0.045	7	105.8087	0.002	7	106.9643	5.966	10	106.2994	6.118	13	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CCHH)(H)	C[3,5](C[3,5]C[5]C[6]O[3])(C[5]C[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>}	C[3,5](C[3,5]C[5]C[6]O[3])(C[5]C[5]CH)(O[3]C[3,5])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5]C[3,5]C[5]C)	111.7090	0.000	1	111.7090	0.000	1	106.9643	5.966	10	106.2994	6.118	13	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CHHO)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CHHO)(H){1|N<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])(H){1|N<3>,3|H<1>}	H(C[5]C[3,5]C[5]C)	111.4850	0.000	1	111.4850	0.000	1	106.9643	5.966	10	106.2994	6.118	13	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:2:1:	4:	C[3,5]-4:C[5]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O[5]C)(C[5]C[5]CO)(H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(H)	H(C[5]C[3,5]C[5]2)	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O[5]C)(C[5]C[5]CO)(H){2|H<1>,5|C<4>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(H){2|O<2>,5|C<4>}	H(C[5]C[3,5]C[5]2)	104.3830	0.148	2	104.3830	0.022	2	104.3830	0.022	2	106.2994	6.118	13	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:2:4:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH){1|O<2>,3|H<1>}	H(C[5]C[3,5]C[5]C)	110.0195	0.276	2	109.3191	0.864	8	109.3191	0.864	8	109.3191	0.864	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:2:4:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH){4|H<1>}	H(C[5]C[3,5]C[5]C)	109.0857	0.966	6	109.3191	0.864	8	109.3191	0.864	8	109.3191	0.864	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CCCH)(H)	C[3,5](C[3,5,5]C[3,5]C[3x5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5,5]CH)(H)	H(C[5]C[3,5]C[5,5]C)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5,5]C[3,5]C[3x5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5,5]CH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[3,5]C[5,5]C)	108.4580	0.000	1	108.4580	0.000	1	108.8640	0.330	2	108.8640	0.330	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C[3,5,5]-4:C[3,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CH3)(H)	C[3,5](C[3,5,5]C[3,5]C[3x5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5,5]CH)(H)	H(C[5]C[3,5]C[5,5]C)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[3,5](C[3,5,5]C[3,5]C[3x5]H)(C[3,5]C[3,5,5]C[5]H)(C[5]C[5,5]CH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5]C[3,5]C[5,5]C)	109.2700	0.000	1	109.2700	0.000	1	108.8640	0.330	2	108.8640	0.330	2	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:4:2:	4:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5,5]O[5]H)(CCHH)(H)	C[3,5](C[3]C[5]O[3]H)(C[5]C[5,5]CH)(C[5]C[5,5]HH)(O[3]C[3])	H(C[5]C[3,5]C[5,5]C)	C[5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5,5]O[5]H)(CCHH)(H){3|C<4>,4|H<1>}	C[3,5](C[3]C[5]O[3]H)(C[5]C[5,5]CH)(C[5]C[5,5]HH)(O[3]C[3]){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5]C[3,5]C[5,5]C)	110.0630	0.000	1	110.0630	0.000	1	110.0630	0.000	1	108.1727	1.229	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CCCH)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CH)(O[3]C[3,5])	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[3]C[3]O[3]H)(C[5]C[5]CH)(O[3]C[3,5]){1|C<4>,5|H<1>}	H(C[5]C[3,5]C[5]C)	108.4170	0.000	1	108.4170	0.000	1	108.4170	0.000	1	108.1727	1.229	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(H)	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]CH)(O[3]C[3,5])	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]O[5]H)(C[5]C[5]CH)(O[3]C[3,5]){1|C<3>,2|C<4>,5|H<1>}	H(C[5]C[3,5]C[5]C)	107.0530	0.271	3	107.0530	0.073	3	107.0530	0.073	3	108.1727	1.229	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:4:2:	4:	C[3,5]-4:C[5]-4:C[5]-4:H-1:	C[3]-4:C[5]-4:C[5]-4:O[3]-2:	C[5]-4:	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]CO)(H)	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3])	H(C[5]C[3,5]C[5]2)	C[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O[5]H)(C[5]C[5]CO)(H){2|C<3>,3|C<4>,5|H<1>}	C[3,5](C[3]O[3]CC)(C[5]C[5]2H)(C[5]C[5]HH)(O[3]C[3]){2|C<4>,2|O<2>,3|H<1>}	H(C[5]C[3,5]C[5]2)	107.9850	0.000	1	107.9850	0.000	1	107.9850	0.000	1	108.1727	1.229	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:4:2:	4:	C[5,5]-4:C[3,5]-4:C-4:H-1:	C[5]-4:C[3]-4:C[3]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[3,5]C[3]2O[5])(CHHO)(H)	C[3,5](C[5]C[5,5]CH)(C[3]C[3]HH)2(O[5]N[5,5])	H(C[5]C[3,5]C[5,5]C)	C[5](C[5,5]N[5,5]C[5]H)(C[3,5]C[3]2O[5])(CHHO)(H){1|O<2>,2|C<4>,5|H<1>}	C[3,5](C[5]C[5,5]CH)(C[3]C[3]HH)2(O[5]N[5,5]){1|H<1>,2|C<4>}	H(C[5]C[3,5]C[5,5]C)	108.8790	0.165	2	108.8790	0.027	2	108.8790	0.027	2	108.1727	1.229	8	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:4:3:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]N)(C[5]C[5]CC)(CCHH)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(NOO)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]N)(C[5]C[5]CC)(CCHH)(H){5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(NOO){2|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]C)	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	109.0272	2.012	4	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:4:3:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[3,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CH)(CH3)(H)	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[5]CH)(CHO)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]H)(C[5]C[5]CH)(CHO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[3,5]C[5]C)	109.4100	1.844	2	109.4100	3.401	2	109.4100	3.401	2	109.0272	2.012	4	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:4:3:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]C[3]O[5]H)(CCHH)(H)	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]CH)(C[5]O[5]O)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3]2C[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[3,5]C[5]C)	107.6320	0.000	1	107.6320	0.000	1	107.6320	0.000	1	109.0272	2.012	4	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[6]C)(C[5]C[5]CH)(CCHH)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]C[6]C)(C[5]C[5]CH)(CCHH){1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[3,5]C[5]C)	105.7820	0.574	2	105.7820	0.330	2	105.7820	0.330	2	108.0336	4.438	5	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCCH)(H)	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCCH)(H){3|H<1>}	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,1|O<2>}	H(C[5]C[3,5]C[5]C)	109.9750	0.000	1	109.9750	0.000	1	109.8145	0.052	2	108.0336	4.438	5	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-4:S-4:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCHH)(H)	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(SC[6a]OO)	H(C[5]C[3,5]C[5]C)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCHH)(H){3|H<1>}	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,1|O<2>}	H(C[5]C[3,5]C[5]C)	109.6540	0.000	1	109.6540	0.000	1	109.8145	0.052	2	108.0336	4.438	5	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3,5]	H	4:4:4:1:	4:4:4:4:	4:	C[3,5]-4:C[5]-4:N-4:H-1:	C[3]-4:C[3]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(NH3)(H)	C[3,5](C[3]C[3]HH)2(C[5]C[5]HN)(C[5]N[5]HH)	H(C[5]C[3,5]C[5]N)	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(NH3)(H){1|C<3>,6|H<1>}	C[3,5](C[3]C[3]HH)2(C[5]C[5]HN)(C[5]N[5]HH){1|C<3>,2|H<1>}	H(C[5]C[3,5]C[5]N)	108.9750	0.000	1	108.9750	0.000	1	108.9750	0.000	1	108.0336	4.438	5	110.5069	2.816	768	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	3:3:4:1:	4:4:4:3:	4:	C[5,6a]-3:C[5]-3:C[3]-4:H-1:	C[5]-4:C[3]-4:C[3]-4:N-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[3]C[3]2N)(H)	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(NCS)	H(C[5]C[5,6a]C[3]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[3]C[3]2N)(H){5|C<3>,5|H<1>}	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(NCS){4|C<3>}	H(C[5]C[5,6a]C[3]C[5])	110.9070	0.000	1	110.9070	0.000	1	110.9070	0.000	1	110.9070	0.000	1	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	3:4:2:1:	4:4:3:1:	4:	N[3,5]-3:C[3]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:N[3]-3:H-1:	C[5]-4:	C[5](N[3,5]C[3,5]C[3])(C[3]C[3]N[3]H)(O[5]C[5])(H)	C[3](C[5]N[3,5]O[5]H)(C[3]C[6a]N[3]H)(N[3]C[3]H)(H)	H(C[5]N[3,5]C[3]O[5])	C[5](N[3,5]C[3,5]C[3])(C[3]C[3]N[3]H)(O[5]C[5])(H){1|O<2>,2|C<3>,5|H<1>}	C[3](C[5]N[3,5]O[5]H)(C[3]C[6a]N[3]H)(N[3]C[3]H)(H){2|C<3>,3|C<4>}	H(C[5]N[3,5]C[3]O[5])	108.9150	0.000	1	108.9150	0.000	1	108.9150	0.000	1	108.9150	0.000	1	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	3:4:2:1:	4:4:4:3:	4:	C[5,6]-3:C[3]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:C[3]-4:C-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[3]C[3]2C)(O[5]C[5])(H)	C[3](C[5]C[5,6]O[5]H)(C[3]C[3]CH)(C[3]C[3]HH)(COO)	H(C[5]C[5,6]C[3]O[5])	C[5](C[5,6]C[5,6]C[6])(C[3]C[3]2C)(O[5]C[5])(H){2|O<1>,3|C<4>,3|H<1>}	C[3](C[5]C[5,6]O[5]H)(C[3]C[3]CH)(C[3]C[3]HH)(COO){3|C<3>}	H(C[5]C[5,6]C[3]O[5])	108.0205	0.144	4	108.0205	0.021	4	108.0205	0.021	4	108.0205	0.021	4	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	3:4:3:1:	4:4:4:1:	4:	C[5,6a]-3:C[3]-4:C[5]-3:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2H)(C[5]C[5]H)(H)	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(H)	H(C[5]C[5,6a]C[3]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2H)(C[5]C[5]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	H(C[5]C[5,6a]C[3]C[5])	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	3:4:3:1:	4:4:4:3:	4:	C[5,6a]-3:C[3]-4:C[5]-3:H-1:	C[5]-4:C[3]-4:C[3]-4:C-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2C)(C[5]N[5]O)(H)	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(CCO)	H(C[5]C[5,6a]C[3]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[3]C[3]2C)(C[5]N[5]O)(H){1|Cl<1>,2|C<3>,4|H<1>}	C[3](C[5]C[5,6a]C[5]H)(C[3]C[3]HH)2(CCO){1|N<2>,1|O<1>,2|C<3>}	H(C[5]C[5,6a]C[3]C[5])	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:N[5]-3:C[3]-4:H-1:	C[5]-4:C[3]-3:C[3]-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H)	C[3](C[5]C[5]N[5]H)(C[3]C[3]H)2(H)	H(C[5]C[3]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H){2|C<3>,2|H<1>}	C[3](C[5]C[5]N[5]H)(C[3]C[3]H)2(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[3]C[5]N[5])	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:C[3]-4:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H)	C[3](C[5]C[5]N[5]H)(C[3]C[3]HH)2(H)	H(C[5]C[3]C[5]N[5])	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H){2|C<3>,4|H<1>}	C[3](C[5]C[5]N[5]H)(C[3]C[3]HH)2(H){1|S<4>,2|C<3>,2|H<1>}	H(C[5]C[3]C[5]N[5])	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[3,5]CH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[3,5]CH)(O[5]C[5])(H){1|O<1>,4|C<4>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3]C[5]O[5])	109.4370	0.000	1	109.4370	0.000	1	110.3451	0.470	45	110.3451	0.470	45	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H){1|N<3>,1|O<1>,3|C<4>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3]C[5]O[5])	110.2710	0.000	1	110.2925	0.001	2	110.3451	0.470	45	110.3451	0.470	45	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3]C[5]O[5])	110.3140	0.000	1	110.2925	0.001	2	110.3451	0.470	45	110.3451	0.470	45	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|O<2>,4|H<1>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[3]C[5]O[5])	109.7650	0.000	1	109.7650	0.000	1	110.3451	0.470	45	110.3451	0.470	45	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5,6]CO)(O[5]C[5,6])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5,6]CO)(O[5]C[5,6])(H){1|C<3>,2|C<4>,3|H<1>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H){1|O<2>,3|C<4>}	H(C[5]C[3]C[5]O[5])	109.0170	0.000	1	109.0170	0.000	1	110.3451	0.470	45	110.3451	0.470	45	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[3]C[5]O[5])	109.8461	0.717	10	110.4963	0.395	37	110.3451	0.470	45	110.3451	0.470	45	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,3|C<4>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3]C[5]O[5])	110.7352	0.400	24	110.4963	0.395	37	110.3451	0.470	45	110.3451	0.470	45	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<4>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|H<1>,2|C<4>}	H(C[5]C[3]C[5]O[5])	110.7523	0.239	3	110.4963	0.395	37	110.3451	0.470	45	110.3451	0.470	45	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,4|H<1>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H){2|C<4>,2|H<1>}	H(C[5]C[3]C[5]O[5])	109.2280	0.000	1	109.2345	0.000	2	110.3451	0.470	45	110.3451	0.470	45	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(H){2|C<4>,2|H<1>}	H(C[5]C[3]C[5]O[5])	109.2410	0.000	1	109.2345	0.000	2	110.3451	0.470	45	110.3451	0.470	45	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]H)(C[5]C[5]O[5]H)(O[5]C[5])(H){1|N<3>,2|H<1>,4|C<4>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]CH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[3]C[5]O[5])	109.8930	0.000	1	109.8930	0.000	1	110.3451	0.470	45	110.3451	0.470	45	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:2:4:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[3]C[3]O[3]C)(C[5]C[4]N[5]C)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]O[3]C)(C[5]C[4]N[5]C)(O[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|N<3>,2|C<4>}	H(C[5]C[3]C[5]O[5])	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[3]-4:C[5]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[3](C[3]C[6a]C[3]H)(C[5]C[5]O[5]H)(C[3]C[3]FH)(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[3](C[3]C[6a]C[3]H)(C[5]C[5]O[5]H)(C[3]C[3]FH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[3]C[5]O[5])	110.5070	0.000	1	110.5070	0.000	1	110.5070	0.000	1	109.5301	1.188	8	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]CH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]C[3]CC)(C[3]C[3]HH)(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]2H)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[3](C[5]C[5]O[5]H)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5]C[3]C[5]O[5])	108.6220	0.000	1	108.6220	0.000	1	110.0430	1.063	4	109.5301	1.188	8	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]C[3]CC)(C[3]C[3]HH)(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[3](C[5]C[5]O[5]H)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[3]C[5]O[5])	110.6050	0.672	2	110.6050	0.451	2	110.0430	1.063	4	109.5301	1.188	8	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[3](C[5]C[5]O[5]H)(C[3]C[3]CC)2(H)	H(C[5]C[3]C[5]O[5])	C[5](C[3]C[3]2H)(C[5]O[5]HH)(O[5]C[5])(H){2|C<3>,4|C<4>}	C[3](C[5]C[5]O[5]H)(C[3]C[3]CC)2(H){1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[3]C[5]O[5])	110.3400	0.000	1	110.3400	0.000	1	110.0430	1.063	4	109.5301	1.188	8	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:4:1:	4:	C[5,5]-4:C[3]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2H)(O[5]C[5])(H)	C[3](C[5]C[5,5]O[5]H)(C[3]C[3]CH)(C[3]C[3]HH)(H)	H(C[5]C[5,5]C[3]O[5])	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2H)(O[5]C[5])(H){1|C<2>,1|C<4>,2|O<2>,5|H<1>}	C[3](C[5]C[5,5]O[5]H)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[3]O[5])	108.4405	0.162	2	108.4405	0.026	2	108.4405	0.026	2	109.5301	1.188	8	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[3]-4:O[5]-2:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(O[5]N[5])(H)	C[3](C[5]C[5,6]O[5]H)(C[3]C[3]HH)2(H)	H(C[5]C[5,6]C[3]O[5])	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(O[5]N[5])(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[3](C[5]C[5,6]O[5]H)(C[3]C[3]HH)2(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5]C[5,6]C[3]O[5])	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	109.5301	1.188	8	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:3:1:	4:4:2:1:	4:	C[3]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[3](C[5]C[5]N[5]H)(C[3]O[3]CC)(O[3]C[3])(H)	H(C[5]C[3]C[5]N[5])	C[5](C[3]C[3]O[3]H)(C[5]O[5]HH)(N[5]C[5]C)(H){4|C<4>}	C[3](C[5]C[5]N[5]H)(C[3]O[3]CC)(O[3]C[3])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5]C[3]C[5]N[5])	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:3:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:C[5]-3:H-1:	C[3]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]C)(H)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]2H)(H)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[3](C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]2H)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5]C[3]C[5]2)	110.5430	0.000	1	110.5430	0.000	1	110.0855	0.419	2	110.0855	0.419	2	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:3:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:C[5]-3:H-1:	C[3]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[3](C[3]C[3]HH)2(C[5]C[5]2H)(H)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]H)(H){2|C<3>,5|H<1>}	C[3](C[3]C[3]HH)2(C[5]C[5]2H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[3]C[5]2)	109.6280	0.000	1	109.6280	0.000	1	110.0855	0.419	2	110.0855	0.419	2	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:3:1:	4:4:4:3:	4:	C[5,5]-4:C[3]-4:N[5]-3:H-1:	C[5]-4:C[3]-4:C[3]-4:C-3:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2C)(N[5]C[5]C)(H)	C[3](C[5]C[5,5]N[5]H)(C[3]C[3]HH)2(COO)	H(C[5]C[5,5]C[3]N[5])	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2C)(N[5]C[5]C)(H){1|C<4>,1|O<2>,7|H<1>}	C[3](C[5]C[5,5]N[5]H)(C[3]C[3]HH)2(COO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5]C[5,5]C[3]N[5])	107.0250	0.000	1	107.0250	0.000	1	107.0250	0.000	1	107.0250	0.000	1	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:4:1:	4:4:2:4:	4:	C[5,6]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[3]C[3]O[3]C)(C[5]C[5]HH)(H)	C[3](C[5]C[5,6]C[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	H(C[5]C[5,6]C[3]C[5])	C[5](C[5,6]C[5,6]C[6,6]H)(C[3]C[3]O[3]C)(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	C[3](C[5]C[5,6]C[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3){3|C<4>,3|H<1>}	H(C[5]C[5,6]C[3]C[5])	108.0650	0.000	1	108.0650	0.000	1	108.0650	0.000	1	108.0650	0.000	1	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:4:1:	4:4:3:1:	4:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[3]-4:C[5]-4:N[3]-3:H-1:	C[5]-4:	C[5](C[3]C[3]N[3]H)(C[5]C[5]CH)(C[5]N[5]HH)(H)	C[3](C[3]N[3]HH)(C[5]C[5]2H)(N[3]C[3]C)(H)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]N[3]H)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[3](C[3]N[3]HH)(C[5]C[5]2H)(N[3]C[3]C)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[5]C[3]C[5]2)	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[3]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]2O)(C[5]C[5]CH)(H)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]2H)(H)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]2H)(C[5]C[5]2O)(C[5]C[5]CH)(H){2|O<2>,3|C<4>,6|H<1>}	C[3](C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]2H)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[3]C[5]2)	107.6310	0.000	1	107.6310	0.000	1	108.9311	1.235	7	106.8224	35.207	9	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[3]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]CO)(H)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]2H)(H)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]C[5]CO)(H){1|C<3>,2|C<4>,5|H<1>}	C[3](C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]2H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5]C[3]C[5]2)	108.5465	0.603	4	108.5465	0.364	4	108.9311	1.235	7	106.8224	35.207	9	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:C[5]-4:H-1:	C[3]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[3]C[3]2H)(C[5]C[5]CH)2(H)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]2H)(H)	H(C[5]C[3]C[5]2)	C[5](C[3]C[3]2H)(C[5]C[5]CH)2(H){3|C<4>,5|H<1>}	C[3](C[3]C[3]CC)(C[3]C[3]CH)(C[5]C[5]2H)(H){2|H<1>,4|C<4>}	H(C[5]C[3]C[5]2)	110.3505	0.098	2	110.3505	0.010	2	108.9311	1.235	7	106.8224	35.207	9	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5]2O[5])(C[3]C[3]2H)(C[5]C[5]CH)(H)	C[3](C[5]C[5,5]C[5]H)(C[3]C[3]CC)(C[3]C[3]CH)(H)	H(C[5]C[5,5]C[3]C[5])	C[5](C[5,5]C[5]2O[5])(C[3]C[3]2H)(C[5]C[5]CH)(H){2|O<2>,4|C<4>,6|H<1>}	C[3](C[5]C[5,5]C[5]H)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5]C[5,5]C[3]C[5])	107.6320	0.000	1	107.6320	0.000	1	107.6320	0.000	1	106.8224	35.207	9	109.5753	5.657	79	110.9009	5.459	1380
474	486	951	0:SP3_SP-NON_SP3	C[5]	C[3]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(C[5]C[5]HH)(H)	C[3](C[5]C[5,6]C[5]H)(C[3]C[3]HH)2(H)	H(C[5]C[5,6]C[3]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[3]C[3]2H)(C[5]C[5]HH)(H){1|N<4>,1|O<1>,2|C<4>,6|H<1>}	C[3](C[5]C[5,6]C[5]H)(C[3]C[3]HH)2(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5,6]C[3]C[5])	91.2513	0.000	1	91.2513	0.000	1	91.2513	0.000	1	106.8224	35.207	9	109.5753	5.657	79	110.9009	5.459	1380