474	478	478	0:SP3_SP3_SP3	C[5,6]	C[4,5,6]	C[4,6]	4:4:4:1:	4:4:4:3:	4:4:3:1:	C[4,5,6]-4:C[4,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[4,6]-4:C[5,6]-4:C[4]-3:	C[5,6]-4:C[4,6]-4:C[4]-3:H-1:	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]O[5]H)(H)	C[4,5,6](C[5,6]C[4,6]C[5,6]H)(C[4,6]C[5,6]C[4]C)(C[5,6]C[6]O[5]H)(C[4]C[4]O)	C[4,6](C[5,6]C[4,5,6]C[5,6]H)(C[4,6]C[5,6]C[4]C)(C[4]C[4]O)(H)	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]O[5]H)(H){2|H<1>,2|O<1>,8|C<4>}	C[4,5,6](C[5,6]C[4,6]C[5,6]H)(C[4,6]C[5,6]C[4]C)(C[5,6]C[6]O[5]H)(C[4]C[4]O){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[4,6](C[5,6]C[4,5,6]C[5,6]H)(C[4,6]C[5,6]C[4]C)(C[4]C[4]O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	120.1305	0.091	2	120.1305	0.008	2	120.1305	0.008	2	120.1305	0.008	2	120.1305	0.008	2	116.9497	30.357	3
474	478	478	0:SP3_SP3_SP3	C[5]	C[4]	C[4]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[4]-4:C[4]-4:O[5]-2:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]2H)2(O[5]C[5,6])	C[4](C[5]C[5,6]C[4]O[5])(C[4]C[4]HH)2(H)	C[4](C[5]C[5,6]C[4]O[5])(C[4]C[4]HH)2(H)	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]2H)2(O[5]C[5,6]){12|H<1>,5|C<4>}	C[4](C[5]C[5,6]C[4]O[5])(C[4]C[4]HH)2(H){1|C<3>,3|H<1>,5|C<4>}	C[4](C[5]C[5,6]C[4]O[5])(C[4]C[4]HH)2(H){1|C<3>,3|H<1>,5|C<4>}	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	116.9497	30.357	3
474	478	478	5:SP3_SP3_SP3	C[3x5]	C[4,3x5]	C[4,3x5]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[4,3x5]-4:C[4,3x5]-4:H-1:H-1:	C[4,4,5,5]-4:C[4,5]-4:C[3x5]-4:H-1:	C[4,4,5,5]-4:C[4,5]-4:C[3x5]-4:H-1:	C[3x5](C[4,3x5]C[4,4,5,5]C[4,5]H)2(H)2	C[4,3x5](C[4,4,5,5]C[4,4,5,5]C[4,5]H)(C[4,5]C[4,4,5,5]C[6a]O)(C[3x5]C[4,3x5]HH)(H)	C[4,3x5](C[4,4,5,5]C[4,4,5,5]C[4,5]C)(C[4,5]C[4,4,5,5]HH)(C[3x5]C[4,3x5]HH)(H)	C[3x5](C[4,3x5]C[4,4,5,5]C[4,5]H)2(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[4,3x5](C[4,4,5,5]C[4,4,5,5]C[4,5]H)(C[4,5]C[4,4,5,5]C[6a]O)(C[3x5]C[4,3x5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,3x5](C[4,4,5,5]C[4,4,5,5]C[4,5]C)(C[4,5]C[4,4,5,5]HH)(C[3x5]C[4,3x5]HH)(H){1|C<3>,1|O<2>,2|H<1>}	94.9613	0.000	1	94.9613	0.000	1	94.9613	0.000	1	94.9613	0.000	1	94.9613	0.000	1	95.9618	0.963	4
474	478	478	5:SP3_SP3_SP3	C[5,5]	C[4,5,5,6,6]	C[4,5,5,6,6]	4:4:1:1:	4:4:4:1:	4:4:4:2:	C[4,5,5,6,6]-4:C[4,5,5,6,6]-4:H-1:H-1:	C[4,4,5,3x6]-4:C[4,4,5,3x6]-4:C[5,5]-4:H-1:	C[4,4,5,3x6]-4:C[4,4,5,3x6]-4:C[5,5]-4:O-2:	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2H)(C[4,5,5,6,6]C[4,4,5,3x6]2O)(H)2	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]HH)(H)	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]HH)(OS)	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2H)(C[4,5,5,6,6]C[4,4,5,3x6]2O)(H)2{2|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]HH)(OS){1|C<4>,4|H<1>}	95.2780	0.000	1	95.2780	0.000	1	95.2780	0.000	1	95.2780	0.000	1	96.2953	0.777	3	95.9618	0.963	4
474	478	478	5:SP3_SP3_SP3	C[5,5]	C[4,5,5,6,6]	C[4,5,5,6,6]	4:4:2:1:	4:4:4:1:	4:4:4:1:	C[4,5,5,6,6]-4:C[4,5,5,6,6]-4:O-2:Cl-1:	C[4,4,5,3x6]-4:C[4,4,5,3x6]-4:C[5,5]-4:H-1:	C[4,4,5,3x6]-4:C[4,4,5,3x6]-4:C[5,5]-4:Br-1:	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl)	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]ClO)(H)	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]ClO)(Br)	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl){2|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]ClO)(H){1|Br<1>,1|C<4>,3|H<1>}	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]ClO)(Br){1|C<4>,4|H<1>}	96.8039	0.040	2	96.8039	0.002	2	96.8039	0.002	2	96.8039	0.002	2	96.2953	0.777	3	95.9618	0.963	4
474	478	478	6:SP3_SP3_SP3	C[5,3x6]	C[4,5,3x6]	C[4,5,5,6,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[5,6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,5,6]-4:C[5,3x6]-4:O[5,6]-2:	C[4,3x5]-4:C[4,5,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[5,5,3x6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(O[5,6]C[5,5,6,6])	C[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[4,5,3x6]C[5,6,6]H)(H)	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[5,5,3x6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(O[5,6]C[5,5,6,6]){1|O<1>,6|C<4>,7|H<1>}	C[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[4,5,3x6]C[5,6,6]H)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	112.3400	0.000	1	112.3400	0.000	1	112.3400	0.000	1	111.8990	0.389	2	111.8990	0.389	2	108.7966	9.224	8
474	478	478	6:SP3_SP3_SP3	C[5,3x6]	C[4,5,3x6]	C[4,5,5,6,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[5,6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,3x6]-4:O[5,6]-2:	C[4,3x5]-4:C[4,5,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[5,5,3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(O[5,6]C[5,3x6])	C[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[4,5,3x6]C[5,6,6]H)(H)	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[5,5,3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(O[5,6]C[5,3x6]){1|O<1>,6|C<4>,7|H<1>}	C[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[4,5,3x6]C[5,6,6]H)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	111.4580	0.000	1	111.4580	0.000	1	111.4580	0.000	1	111.8990	0.389	2	111.8990	0.389	2	108.7966	9.224	8
474	478	478	6:SP3_SP3_SP3	C[5,3x6]	C[4,5,5,6,6]	C[4,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[4,5,5,6,6]-4:C[4,6,6]-4:C[5,6,6]-4:H-1:	C[4,3x5]-4:C[4,5,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[3x5,6,6]CH)(H)	C[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[4,6,6]C[5,6,6]H)(H)	C[4,6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[4,6,6]C[5,5,3x6]C[4]H)(C[4]C[3]C[4]H)(H)	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[3x5,6,6]CH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[4,6,6]C[5,6,6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[4,6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[4,6,6]C[5,5,3x6]C[4]H)(C[4]C[3]C[4]H)(H){1|C<3>,5|H<1>,6|C<4>}	111.5290	0.000	1	111.5290	0.000	1	111.5290	0.000	1	111.5290	0.000	1	111.5290	0.000	1	108.7966	9.224	8
474	478	478	6:SP3_SP3_SP3	C[5,5,3x6]	C[4,5,3x6]	C[4,5,5,6,6]	4:4:4:1:	4:4:4:3:	4:4:2:1:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[4,5,3x6]-4:C[5,5,3x6]-4:C[4,5,5,6]-4:C[5,6]-3:	C[5,5,3x6]-4:C[4,5,5,6,6]-4:O[4,5]-2:H-1:	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(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)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[5,3x6]O[5,6])(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)	C[4,5,5,6,6](C[5,5,3x6]C[3x5,6,6]C[4,5,3x6]H)(C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(O[4,5]C[4,3x5])(H)	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(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)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[5,3x6]O[5,6])(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O){1|O<2>,6|C<4>,6|H<1>}	C[4,5,5,6,6](C[5,5,3x6]C[3x5,6,6]C[4,5,3x6]H)(C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(O[4,5]C[4,3x5])(H){2|C<3>,2|H<1>,3|C<4>}	107.7160	0.000	1	107.7160	0.000	1	107.7160	0.000	1	107.6440	0.010	2	107.6440	0.010	2	108.7966	9.224	8
474	478	478	6:SP3_SP3_SP3	C[5,5,3x6]	C[4,5,3x6]	C[4,5,5,6,6]	4:4:4:1:	4:4:4:3:	4:4:2:1:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[4,5,3x6]-4:C[5,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:	C[5,5,3x6]-4:C[4,5,5,6,6]-4:O[4,5]-2:H-1:	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(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)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[5,3x6]O[5,6])(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)	C[4,5,5,6,6](C[5,5,3x6]C[3x5,6,6]C[4,5,3x6]H)(C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(O[4,5]C[4,3x5])(H)	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(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)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[5,3x6]O[5,6])(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O){1|C<2>,1|O<2>,5|H<1>,6|C<4>}	C[4,5,5,6,6](C[5,5,3x6]C[3x5,6,6]C[4,5,3x6]H)(C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(O[4,5]C[4,3x5])(H){2|C<3>,2|H<1>,3|C<4>}	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.6440	0.010	2	107.6440	0.010	2	108.7966	9.224	8
474	478	478	6:SP3_SP3_SP3	C[5,5,3x6]	C[4,5,5,6,6]	C[4,6,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[4,6,6]-4:H-1:	C[4,5,5,6,6]-4:C[5,5,3x6]-4:O[4,5]-2:H-1:	C[5,5,3x6]-4:C[4,6,6]-4:C[4]-4:H-1:	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[4,6,6]C[4,6,6]C[4]H)(H)	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[4,6,6]H)(O[4,5]C[4,3x5])(H)	C[4,6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,6,6]C[5,3x6]C[4]H)(C[4]C[4]CH)(H)	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[4,6,6]C[4,6,6]C[4]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[4,6,6]H)(O[4,5]C[4,3x5])(H){1|C<3>,3|C<4>,3|H<1>}	C[4,6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,6,6]C[5,3x6]C[4]H)(C[4]C[4]CH)(H){1|O<2>,4|C<4>,4|H<1>}	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	108.7966	9.224	8
474	478	478	6:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	C[4,5,6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[4,5,6]-4:C[4,5,6]-4:C[5,5]-4:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4,6a]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4,6a]-3:H-1:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)2(C[5,5]C[5,5,6]HH)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4,6a]H)(C[5,5,6]C[4,5,6]C[5,5]H)(C[4,6a]C[4,6a]C[6a])(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4,6a]H)(C[5,5,6]C[4,5,6]C[5,5]H)(C[4,6a]C[4,6a]C[6a])(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)2(C[5,5]C[5,5,6]HH)(H){3|H<1>,4|C<3>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4,6a]H)(C[5,5,6]C[4,5,6]C[5,5]H)(C[4,6a]C[4,6a]C[6a])(H){2|C<4>,3|C<3>,4|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4,6a]H)(C[5,5,6]C[4,5,6]C[5,5]H)(C[4,6a]C[4,6a]C[6a])(H){2|C<4>,3|C<3>,4|H<1>}	104.7745	0.670	2	104.7745	0.448	2	104.7745	0.448	2	104.7745	0.448	2	104.7745	0.448	2	108.7966	9.224	8
474	478	486	0:SP3_SP3_SP3	C[5,6]	C[4,5,6,6]	C[3,5]	4:4:4:1:	4:4:4:2:	4:4:2:1:	C[4,5,6,6]-4:C[3,5]-4:C[5,6]-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,6]-4:O[5,6]-2:	C[5,6]-4:C[3,5]-4:O[3]-2:H-1:	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[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[3,5]C[5,6]H)(O[5,6]C[5,3x6])	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)	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[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[3,5]C[5,6]H)(O[5,6]C[5,3x6]){1|O<1>,1|O<2>,6|C<4>,7|H<1>}	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>}	108.3320	0.000	1	108.3320	0.000	1	108.3320	0.000	1	108.3320	0.000	1	108.3320	0.000	1	112.2107	11.286	3
474	478	486	0:SP3_SP3_SP3	C[5,6]	C[4,6]	C[3,5]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[4,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[4,5,6]-4:C[4,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6](C[4,6]C[4,5,6]C[4,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	C[4,6](C[4,5,6]C[4,5,6]C[5,6]O[5])(C[4,6]C[4,5,6]C[5,6]H)(C[5,6]C[3,5]C[5,6]C)(H)	C[3,5](C[5,6]C[4,6]C[5,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	C[5,6](C[4,6]C[4,5,6]C[4,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[4,6](C[4,5,6]C[4,5,6]C[5,6]O[5])(C[4,6]C[4,5,6]C[5,6]H)(C[5,6]C[3,5]C[5,6]C)(H){1|O<2>,2|H<1>,4|C<3>,6|C<4>}	C[3,5](C[5,6]C[4,6]C[5,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	114.1500	0.079	2	114.1500	0.006	2	114.1500	0.006	2	114.1500	0.006	2	114.1500	0.006	2	112.2107	11.286	3
474	478	486	5:SP3_SP3_SP3	C[3x5,6,6]	C[4,3x5,6,6]	C[3,5,5,6]	4:4:4:1:	4:4:4:1:	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[4,3x5,6]-4:C[4,3x5,6]-4:H-1:	C[3x5,6,6]-4:C[4x5,6,6]-4:C[3]-4:C[3]-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[4,3x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[4,3x5,6]C[4x5,6,6]C[4,5]C)(C[4,3x5,6]C[4x5,6,6]C[4,5]H)(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	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[4,3x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[4,3x5,6]C[4x5,6,6]C[4,5]C)(C[4,3x5,6]C[4x5,6,6]C[4,5]H)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	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>}	101.2650	0.000	1	101.2650	0.000	1	101.2650	0.000	1	101.2650	0.000	1	101.2650	0.000	1	101.2350	0.924	4
474	478	486	5:SP3_SP3_SP3	C[3x5,6]	C[4,5,5,6]	C[3,5,5]	4:4:4:1:	4:4:4:1:	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[4,5,5,6]-4:C[4,5,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3]-4:C[3]-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[4,5,5,6](C[3x5,6]C[5,5,6,6]C[3,5,5]H)(C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[4,5,6]C[4,5,6]2C[5,6])(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	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[4,5,5,6](C[3x5,6]C[5,5,6,6]C[3,5,5]H)(C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[4,5,6]C[4,5,6]2C[5,6])(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	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>}	101.8100	0.000	1	101.8100	0.000	1	101.9025	0.017	2	101.9025	0.017	2	101.9025	0.017	2	101.2350	0.924	4
474	478	486	5:SP3_SP3_SP3	C[3x5,6]	C[4,5,5,6]	C[3,5,5]	4:4:4:1:	4:4:4:1:	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[4,5,5,6]-4:C[4,5,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C[3]-4:C[3]-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[4,5,5,6](C[3x5,6]C[5,5,6,6]C[3,5,5]H)(C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[4,5,6]C[4,5,6]C[5,6]H)(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	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[4,5,5,6](C[3x5,6]C[5,5,6,6]C[3,5,5]H)(C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	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>}	101.9950	0.000	1	101.9950	0.000	1	101.9025	0.017	2	101.9025	0.017	2	101.9025	0.017	2	101.2350	0.924	4
474	478	486	5:SP3_SP3_SP3	C[4x5,6,6]	C[4,3x5,6]	C[3,5,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[4,3x5,6]-4:C[4x5,6,6]-4:C[3,5,5,6]-4:H-1:	C[4,3x5,6,6]-4:C[4x5,6,6]-4:C[4,5]-4:H-1:	C[3x5,6,6]-4:C[4x5,6,6]-4:C[3]-4:C[3]-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[4,3x5,6](C[4,3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[4x5,6,6]C[3,5,5,6]C[4x5,6,6]H)(C[4,5]C[4,3x5,6]C[6a]O)(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	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[4,3x5,6](C[4,3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[4x5,6,6]C[3,5,5,6]C[4x5,6,6]H)(C[4,5]C[4,3x5,6]C[6a]O)(H){1|H<1>,3|C<3>,4|C<4>}	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>}	99.8700	0.000	1	99.8700	0.000	1	99.8700	0.000	1	99.8700	0.000	1	99.8700	0.000	1	101.2350	0.924	4
474	478	486	6:SP3_SP3_SP3	C[5,3x6]	C[4,5,5,6,6]	C[3,6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[4,5,5,6,6]-4:C[3,6,6]-4:C[5,6,6]-4:H-1:	C[4,3x5]-4:C[4,5,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	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[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[3,6,6]C[5,6,6]H)(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)	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[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[3,6,6]C[5,6,6]H)(H){2|C<4>,3|C<3>,4|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>}	113.9945	0.524	2	113.9945	0.275	2	113.9945	0.275	2	113.9945	0.275	2	113.9945	0.275	2	111.6206	6.190	5
474	478	486	6:SP3_SP3_SP3	C[5,5,3x6]	C[4,5,5,6,6]	C[3,6,6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[3,6,6]-4:H-1:	C[4,5,5,6,6]-4:C[5,5,3x6]-4:O[4,5]-2:H-1:	C[5,5,3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	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[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[3,6,6]H)(O[4,5]C[4,3x5])(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)	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[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[3,6,6]H)(O[4,5]C[4,3x5])(H){1|C<3>,3|C<4>,3|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>}	109.1515	0.993	2	109.1515	0.987	2	109.1515	0.987	2	109.1515	0.987	2	109.1515	0.987	2	111.6206	6.190	5
474	478	486	6:SP3_SP3_SP3	C[5,5,6]	C[4,5,5,6]	C[3,6]	4:4:4:3:	4:4:4:4:	4:4:2:1:	C[4,5,5,6]-4:C[3,6]-4:C[5]-4:N[5]-3:	C[5,5,6]-4:C[4,5,5]-4:C[4,6]-4:C[5]-4:	C[5,5,6]-4:C[3,6]-4:O[3]-2:H-1:	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[4,5,5,6](C[5,5,6]C[3,6]C[5]N[5])(C[4,5,5]C[4,5]C[5]2)(C[4,6]C[4,5]C[6]H)(C[5]C[5]HH)	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)	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[4,5,5,6](C[5,5,6]C[3,6]C[5]N[5])(C[4,5,5]C[4,5]C[5]2)(C[4,6]C[4,5]C[6]H)(C[5]C[5]HH){1|Br<1>,1|O<1>,2|O<2>,4|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>}	111.8110	0.000	1	111.8110	0.000	1	111.8110	0.000	1	111.8110	0.000	1	111.8110	0.000	1	111.6206	6.190	5
474	478	490	0:SP3_SP3_SP3	C[3x5,6]	C[4,3x5]	C	4:4:3:4:	4:4:3:4:	4:1:1:1:	C[4,3x5]-4:P[5,5,6]-4:C[5,6]-3:C-4:	C[4,5,5,6]-4:C[3x5,6]-4:P[4,5]-3:C-4:	C[3x5,6]-4:H-1:H-1:H-1:	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(P[5,5,6]P[4,5,5,6]HW)(C[5,6]C[5,6]C)(CH3)	C[4,3x5](C[4,5,5,6]P[4,5,5,6]C[5,6]C)(C[3x5,6]P[5,5,6]C[5,6]C)(P[4,5]P[4,5,5,6]H)(CH3)	C(C[3x5,6]C[4,3x5]P[5,5,6]C[5,6])(H)3	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(P[5,5,6]P[4,5,5,6]HW)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|W<6>,2|C<4>}	C[4,3x5](C[4,5,5,6]P[4,5,5,6]C[5,6]C)(C[3x5,6]P[5,5,6]C[5,6]C)(P[4,5]P[4,5,5,6]H)(CH3){1|H<1>,2|C<4>,2|W<6>}	C(C[3x5,6]C[4,3x5]P[5,5,6]C[5,6])(H)3	115.9780	0.000	1	115.9780	0.000	1	115.9780	0.000	1	115.9780	0.000	1	116.2180	0.115	2	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[3x5,6]	C[4,3x5]	C	4:4:3:4:	4:4:4:4:	4:1:1:1:	C[4,3x5]-4:C[5,5,6]-4:C[5,6]-3:C-4:	C[4,5,5,6]-4:C[3x5,6]-4:P[4,5]-4:C-4:	C[3x5,6]-4:H-1:H-1:H-1:	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(C[5,5,6]C[4,5,5,6]CH)(C[5,6]C[5,6]C)(CH3)	C[4,3x5](C[4,5,5,6]C[4,5,5,6]C[5,6]C)(C[3x5,6]C[5,5,6]C[5,6]C)(P[4,5]C[4,5,5,6]OW)(CH3)	C(C[3x5,6]C[4,3x5]C[5,5,6]C[5,6])(H)3	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(C[5,5,6]C[4,5,5,6]CH)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<2>,1|W<6>,2|C<4>}	C[4,3x5](C[4,5,5,6]C[4,5,5,6]C[5,6]C)(C[3x5,6]C[5,5,6]C[5,6]C)(P[4,5]C[4,5,5,6]OW)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[3x5,6]C[4,3x5]C[5,5,6]C[5,6])(H)3	116.4580	0.000	1	116.4580	0.000	1	116.4580	0.000	1	116.4580	0.000	1	116.2180	0.115	2	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[3x5,6]	C[4,5,5,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-4:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:F-1:F-1:F-1:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CF3)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]C)(H)	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(F)3	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CF3){1|O<2>,3|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]C)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(F)3	116.5650	0.000	1	116.5650	0.000	1	116.5650	0.000	1	116.5650	0.000	1	117.2657	1.189	3	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[3x5,6]	C[4,5,5,6]	C	4:4:2:4:	4:4:4:1:	4:4:1:1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-4:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C-4:H-1:H-1:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CCHH)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]C)(H)	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(CHHO)(H)2	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CCHH){4|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]C)(H){3|H<1>,4|C<4>}	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(CHHO)(H)2	117.6160	1.281	2	117.6160	1.642	2	117.6160	1.642	2	117.6160	1.642	2	117.2657	1.189	3	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[4x5,6]	C[4,4x5,6]	C	4:4:3:4:	4:4:4:4:	4:4:1:1:	C[4,4x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-3:C-4:	C[4,5,5,6,6]-4:C[4x5,6]-4:C[4,5]-4:C[5,6]-4:	C[4x5,6]-4:C-4:H-1:H-1:	C[4x5,6](C[4,4x5,6]C[4,5,5,6,6]C[4,5]C[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[4,5,5,6]O)(CCHH)	C[4,4x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6,6]C)(C[4x5,6]C[5,5,6,6]C[5,5,6]C)(C[4,5]C[4,5,5,6]CH)(C[5,6]C[5,6]HO)	C(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C[5,5,6])(CCHH)(H)2	C[4x5,6](C[4,4x5,6]C[4,5,5,6,6]C[4,5]C[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[4,5,5,6]O)(CCHH){1|O<2>,2|C<4>,7|H<1>}	C[4,4x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6,6]C)(C[4x5,6]C[5,5,6,6]C[5,5,6]C)(C[4,5]C[4,5,5,6]CH)(C[5,6]C[5,6]HO){1|O<1>,6|H<1>}	C(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C[5,5,6])(CCHH)(H)2	124.9450	0.000	1	124.9450	0.000	1	124.9450	0.000	1	124.9450	0.000	1	124.9450	0.000	1	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,5,4x6]	C[4,5,4x6]	C	4:4:3:4:	4:4:4:3:	4:1:1:1:	C[4,5,4x6]-4:C[5,5x6]-4:C[5,5]-3:C-4:	C[4,4,5,6,6]-4:C[4,3x6]-4:C[5,5,4x6]-4:C[6a]-3:	C[5,5,4x6]-4:H-1:H-1:H-1:	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3)	C[4,5,4x6](C[4,4,5,6,6]C[4,4,3x6]C[4,5,5,6]C[6a])(C[4,3x6]C[4,4,3x6]C[6,6]H)(C[5,5,4x6]C[5,5x6]C[5,5]C)(C[6a]C[6a]2)	C(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C[5,5])(H)3	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3){2|S<2>,3|C<3>,3|C<4>,4|H<1>}	C[4,5,4x6](C[4,4,5,6,6]C[4,4,3x6]C[4,5,5,6]C[6a])(C[4,3x6]C[4,4,3x6]C[6,6]H)(C[5,5,4x6]C[5,5x6]C[5,5]C)(C[6a]C[6a]2){3|C<4>,5|C<3>,6|H<1>}	C(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C[5,5])(H)3	115.6550	0.000	1	115.6550	0.000	1	115.6550	0.000	1	115.6550	0.000	1	115.6550	0.000	1	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,5,6,6]	C[4,5,5,6,6]	C	4:4:3:4:	3:4:4:4:	4:1:1:1:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[5]-3:C-4:	P[4,5,5,6,6]-3:C[5,5,6,6]-4:C[4,5,6]-4:C-4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3)	C[4,5,5,6,6](P[4,5,5,6,6]P[4,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[5]C)(C[4,5,6]P[4,5,3x6]C[5]C)(CH3)	C(C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C[5])(H)3	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,4|C<4>}	C[4,5,5,6,6](P[4,5,5,6,6]P[4,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[5]C)(C[4,5,6]P[4,5,3x6]C[5]C)(CH3){1|C<3>,1|I<1>,5|C<4>}	C(C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C[5])(H)3	110.8070	0.000	1	112.4440	2.048	3	112.4440	2.048	3	112.4440	2.048	3	112.4440	2.048	3	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,5,6,6]	C[4,5,5,6,6]	C	4:4:3:4:	3:4:4:4:	4:1:1:1:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[5]-3:C-4:	P[4,5,5,6,6]-3:C[5,5,6,6]-4:C[4,5,6]-4:C-4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3)	C[4,5,5,6,6](P[4,5,5,6,6]P[4,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[5]C)(C[4,5,6]P[4,5,3x6]C[5]C)(CH3)	C(C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C[5])(H)3	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,4|C<4>}	C[4,5,5,6,6](P[4,5,5,6,6]P[4,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[5]C)(C[4,5,6]P[4,5,3x6]C[5]C)(CH3){1|Cl<1>,1|C<3>,5|C<4>}	C(C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C[5])(H)3	113.0680	0.000	1	112.4440	2.048	3	112.4440	2.048	3	112.4440	2.048	3	112.4440	2.048	3	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,5,6,6]	C[4,5,5,6,6]	C	4:4:3:4:	3:4:4:4:	4:1:1:1:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[5]-3:C-4:	P[4,5,5,6,6]-3:C[5,5,6,6]-4:C[4,5,6]-4:C-4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3)	C[4,5,5,6,6](P[4,5,5,6,6]P[4,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[5]C)(C[4,5,6]P[4,5,3x6]C[5]C)(CH3)	C(C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C[5])(H)3	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,4|C<4>}	C[4,5,5,6,6](P[4,5,5,6,6]P[4,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[5]C)(C[4,5,6]P[4,5,3x6]C[5]C)(CH3){1|Ga<4>,1|C<3>,5|C<4>}	C(C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C[5])(H)3	113.4570	0.000	1	112.4440	2.048	3	112.4440	2.048	3	112.4440	2.048	3	112.4440	2.048	3	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,5,6]	C[4,5,5,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4,5,5,6]-4:C[3x5,6]-4:C-4:C-4:	C[4,5,5,6]-4:C[5,5,6]-4:C[4,5]-4:H-1:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6](C[4,5,5,6]C[4,5,5,6]C[4,5]H)(C[3x5,6]C[4,3x5]O[5,6]H)(CH3)2	C[4,5,5,6](C[4,5,5,6]C[4,3x5]C[5,6]C)(C[5,5,6]C[3x5,6]CC)(C[4,5]C[4,3x5]CH)(H)	C(C[5,5,6]C[4,5,5,6]C[3x5,6]C)(H)3	C[5,5,6](C[4,5,5,6]C[4,5,5,6]C[4,5]H)(C[3x5,6]C[4,3x5]O[5,6]H)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,3x5]C[5,6]C)(C[5,5,6]C[3x5,6]CC)(C[4,5]C[4,3x5]CH)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[5,5,6]C[4,5,5,6]C[3x5,6]C)(H)3	113.1400	1.865	2	113.1400	3.480	2	113.1400	3.480	2	113.1400	3.480	2	113.1400	3.480	2	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	C	3:4:3:4:	4:4:4:3:	4:1:1:1:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:C-4:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]C)(C[4,5,6]C[4,5,6]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,5]C)(COO)	C(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>,4|C<3>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]C)(C[4,5,6]C[4,5,6]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,5]C)(COO){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])(H)3	116.7905	1.066	2	116.7905	1.136	2	116.7905	1.136	2	116.7905	1.136	2	115.9133	2.065	4	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	C	4:4:2:4:	4:3:4:4:	4:1:1:1:	C[5,5,6]-4:C[4,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:C[5,6]-3:C[4]-4:C[4]-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[4,5,6]C[5,6]C[4]2)(O[5,5]C[5,5,6])(CH3)	C[4,5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(C[4]C[4]HH)2	C(C[5,5,6]C[4,5,6]C[5,5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[4,5,6]C[5,6]C[4]2)(O[5,5]C[5,5,6])(CH3){2|O<1>,3|C<4>,6|H<1>}	C[4,5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(C[4]C[4]HH)2{1|C<3>,1|C<4>,4|H<1>}	C(C[5,5,6]C[4,5,6]C[5,5,6]O[5,5])(H)3	116.0310	0.000	1	116.0310	0.000	1	116.0310	0.000	1	116.0310	0.000	1	115.9133	2.065	4	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[5,6]-4:C[4]-4:O[4]-2:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6](C[4,5,6]C[5,6]C[4]O[4])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C[4,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[4]P[4,5]CH)(O[4]P[4,5])	C(C[5,5,6]C[4,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[4,5,6]C[5,6]C[4]O[4])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|P<5>,6|H<1>}	C[4,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[4]P[4,5]CH)(O[4]P[4,5]){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C(C[5,5,6]C[4,5,6]C[5,5]C[5,6])(H)3	114.0410	0.000	1	114.0410	0.000	1	114.0410	0.000	1	114.0410	0.000	1	115.9133	2.065	4	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,5]	C[4,3x5]	C	4:4:3:4:	4:4:4:4:	4:3:1:1:	C[4,3x5]-4:C[5]-4:C[5]-3:C-4:	C[4,5]-4:C[4,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)(C[5]C[5]H)(CCHH)	C[4,3x5](C[4,5]C[4]C[5]H)2(C[5,5]C[5]2C)(C[5,5]C[5]2H)	C(C[5,5]C[4,3x5]C[5]2)(COO)(H)2	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)(C[5]C[5]H)(CCHH){3|C<4>,6|H<1>}	C[4,3x5](C[4,5]C[4]C[5]H)2(C[5,5]C[5]2C)(C[5,5]C[5]2H){12|H<1>}	C(C[5,5]C[4,3x5]C[5]2)(COO)(H)2	110.7960	0.000	1	110.7960	0.000	1	110.7960	0.000	1	110.7960	0.000	1	111.3930	0.713	2	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,5]	C[4,3x5]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[4,3x5]-4:C[5]-4:C[5]-4:C-4:	C[4,5]-4:C[4,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(CH3)	C[4,3x5](C[4,5]C[4]C[5]C)(C[4,5]C[4]C[5]H)(C[5,5]C[5]2C)(C[5,5]C[5]2O)	C(C[5,5]C[4,3x5]C[5]2)(H)3	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[4,3x5](C[4,5]C[4]C[5]C)(C[4,5]C[4]C[5]H)(C[5,5]C[5]2C)(C[5,5]C[5]2O){12|H<1>,1|O<1>}	C(C[5,5]C[4,3x5]C[5]2)(H)3	111.9900	0.000	1	111.9900	0.000	1	111.9900	0.000	1	111.9900	0.000	1	111.3930	0.713	2	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,5]	C[4,5,5]	C	4:4:2:4:	4:4:4:1:	4:4:1:1:	C[4,5,5]-4:C[5]-4:O[5]-2:C-4:	C[4,5,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C-4:H-1:H-1:	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH)	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]C[5]H)(C[5,5]C[5]O[5]C)(H)	C(C[5,5]C[4,5,5]C[5]O[5])(CH3)(H)2	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<3>,2|H<1>,3|C<4>}	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]C[5]H)(C[5,5]C[5]O[5]C)(H){1|C<3>,1|S<2>,3|C<4>,5|H<1>}	C(C[5,5]C[4,5,5]C[5]O[5])(CH3)(H)2	115.9130	0.000	1	115.9130	0.000	1	115.9130	0.000	1	115.9130	0.000	1	113.9497	3.853	3	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,5]	C[4,5,5]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C[4,5,5]-4:C[5,5]-4:C-4:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:O-2:	C[5,5]-4:C-4:H-1:H-1:	C[5,5](C[4,5,5]C[4,5]2O)(C[5,5]C[4,5,5]HH)(CCHH)(H)	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]C[5,5]CH)(OH)	C(C[5,5]C[4,5,5]C[5,5]H)(CC[6a]HO)(H)2	C[5,5](C[4,5,5]C[4,5]2O)(C[5,5]C[4,5,5]HH)(CCHH)(H){5|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]C[5,5]CH)(OH){3|H<1>}	C(C[5,5]C[4,5,5]C[5,5]H)(CC[6a]HO)(H)2	113.9490	0.000	1	113.9490	0.000	1	113.9490	0.000	1	113.9490	0.000	1	113.9497	3.853	3	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,5]	C[4,5,5]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[4,5,5]-4:C[5]-4:C[5]-4:C-4:	C[4,5]-4:C[4,6]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[4,5,5]C[4,5]C[4,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(CH3)	C[4,5,5](C[4,5]C[4,6]C[5]C)(C[4,6]C[4,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]O)	C(C[5,5]C[4,5,5]C[5]2)(H)3	C[5,5](C[4,5,5]C[4,5]C[4,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[4,5,5](C[4,5]C[4,6]C[5]C)(C[4,6]C[4,6]C[6]H)(C[5,5]C[5]2C)(C[5]C[5]O){1|C<3>,2|C<4>,9|H<1>}	C(C[5,5]C[4,5,5]C[5]2)(H)3	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	113.9497	3.853	3	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,6,6]	C[4,5,6,6]	C	4:4:2:4:	4:4:4:2:	4:1:1:1:	C[4,5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[4,5,6]-4:C[5,6,6]-4:C[4,6]-4:O-2:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6](C[4,5,6,6]C[4,5,6]C[4,6]O)(C[6,6]C[6,6]HO)(O[5]C[5])(CH3)	C[4,5,6,6](C[4,5,6]C[4,6,6]C[5]C)(C[5,6,6]C[6,6]O[5]C)(C[4,6]C[4,6,6]HH)(OH)	C(C[5,6,6]C[4,5,6,6]C[6,6]O[5])(H)3	C[5,6,6](C[4,5,6,6]C[4,5,6]C[4,6]O)(C[6,6]C[6,6]HO)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	C[4,5,6,6](C[4,5,6]C[4,6,6]C[5]C)(C[5,6,6]C[6,6]O[5]C)(C[4,6]C[4,6,6]HH)(OH){1|C<4>,1|O<2>,4|H<1>}	C(C[5,6,6]C[4,5,6,6]C[6,6]O[5])(H)3	115.5110	0.000	1	115.5110	0.000	1	115.5110	0.000	1	115.5110	0.000	1	115.5110	0.000	1	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,6,6]	C[4,6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CH3)	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CH3){1|O<2>,4|C<4>,4|H<1>}	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|B<4>,1|C<4>,1|O<2>,2|H<1>}	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	111.6740	0.000	1	111.6740	0.000	1	113.7803	0.854	10	113.7803	0.854	10	113.2647	1.641	13	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,6,6]	C[4,6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){1|C<3>,3|C<4>,4|H<1>}	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|B<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	113.6885	0.336	2	114.0143	0.345	9	113.7803	0.854	10	113.7803	0.854	10	113.2647	1.641	13	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,6,6]	C[4,6,6]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){4|C<4>,4|H<1>}	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|B<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	114.1074	0.629	7	114.0143	0.345	9	113.7803	0.854	10	113.7803	0.854	10	113.2647	1.641	13	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,6,6]	C[4,6,6]	C	4:4:2:4:	4:4:4:1:	4:4:1:1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CCHH)	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CCHH){1|C<3>,1|N<4>,3|C<4>,4|H<1>}	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|B<4>,1|C<4>,1|O<2>,2|H<1>}	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]HH)(H)2	111.3840	0.576	2	111.3840	0.331	2	111.3840	0.331	2	111.3840	0.331	2	113.2647	1.641	13	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,6,6]	C[4,6,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6,6]-4:C[4,6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[4,6,6]C[4,6]2H)(C[5]C[5]HH)(CH3)	C[4,6,6](C[5,6,6]C[5,6,6]C[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C(C[5,6,6]C[4,6,6]C[5,6,6]C[5])(H)3	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[4,6,6]C[4,6]2H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	C[4,6,6](C[5,6,6]C[5,6,6]C[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5,6,6]C[4,6,6]C[5,6,6]C[5])(H)3	111.8700	0.000	1	111.8700	0.000	1	111.8700	0.000	1	111.8700	0.000	1	113.2647	1.641	13	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,6]	C[4,5,6]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[4,5,6]-4:O[6]-2:C[5]-4:C-4:	C[4,6]-4:C[4,5]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C[4,5,6](C[4,6]C[6,6a]C[4]H)(C[4,5]C[4]C[5]H)(C[5,6]C[5]O[6]C)(H)	C(C[5,6]C[4,5,6]C[5]O[6])(H)3	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[4,5,6](C[4,6]C[6,6a]C[4]H)(C[4,5]C[4]C[5]H)(C[5,6]C[5]O[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[4,5,6]C[5]O[6])(H)3	111.5563	0.524	6	111.5563	0.274	6	111.5563	0.274	6	111.5563	0.274	6	110.8453	0.584	16	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,6]	C[4,5,6]	C	4:4:4:2:	4:4:4:1:	4:3:1:1:	C[5,5,6,6]-4:C[4,5,6]-4:C-4:O-2:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:H-1:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]CO)(H)	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CCH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH){4|C<4>,4|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]CO)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CCH)(H)2	110.4119	0.555	8	110.4119	0.309	8	110.4187	0.281	10	110.4187	0.281	10	110.8453	0.584	16	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,6]	C[4,5,6]	C	4:4:4:2:	4:4:4:1:	4:3:1:1:	C[5,5,6,6]-4:C[4,5,6]-4:C-4:O-2:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:H-1:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]CO)(H)	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CNO)(H)2	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH){4|C<4>,4|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]CO)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CNO)(H)2	110.4460	0.605	2	110.4460	0.366	2	110.4187	0.281	10	110.4187	0.281	10	110.8453	0.584	16	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,6]	C[4,5]	C	4:3:4:4:	3:4:3:3:	4:1:1:1:	C[4,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[4,5]-3:C[4]-3:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[4,5]C[4,5]C[5])(C[4]C[4,5]C[6a])	C(C[5,6]C[4,5]C[5,6]C[6])(H)3	C[5,6](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,6|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[4,5]C[4,5]C[5])(C[4]C[4,5]C[6a]){1|Cl<1>,2|C<4>,2|H<1>,7|C<3>}	C(C[5,6]C[4,5]C[5,6]C[6])(H)3	104.4755	0.636	2	104.4755	0.404	2	104.4755	0.404	2	104.4755	0.404	2	106.1517	3.884	4	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,6]	C[4,5]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[4,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[4]-4:C[5]-4:O[4]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[4,5]C[4]C[5]O[4])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[4,5](C[5,6]C[5,6]C[6]C)(C[4]C[4]HH)(C[5]C[5]HH)(O[4]C[4])	C(C[5,6]C[4,5]C[5,6]C[6])(H)3	C[5,6](C[4,5]C[4]C[5]O[4])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){3|C<4>,9|H<1>}	C[4,5](C[5,6]C[5,6]C[6]C)(C[4]C[4]HH)(C[5]C[5]HH)(O[4]C[4]){3|C<4>,6|H<1>}	C(C[5,6]C[4,5]C[5,6]C[6])(H)3	107.8280	0.088	2	107.8280	0.008	2	107.8280	0.008	2	107.8280	0.008	2	106.1517	3.884	4	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,6]	C[4,6]	C	3:4:3:4:	4:4:4:1:	4:1:1:1:	C[5,6a]-3:C[4,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3)	C[4,6](C[5,6]C[5,6a]C[5,6]C)(C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(H)	C(C[5,6]C[5,6a]C[4,6]C[5,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3){3|C<3>,3|C<4>,3|H<1>}	C[4,6](C[5,6]C[5,6a]C[5,6]C)(C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C(C[5,6]C[5,6a]C[4,6]C[5,6])(H)3	108.7537	0.283	4	108.7537	0.080	4	108.7537	0.080	4	108.7537	0.080	4	108.3493	0.445	6	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5,6]	C[4,6]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[4,5,6]-4:C[4,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[4,6]C[4,5,6]C[4,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	C[4,6](C[4,5,6]C[4,5,6]C[5,6]O[5])(C[4,6]C[4,5,6]C[5,6]H)(C[5,6]C[3,5]C[5,6]C)(H)	C(C[5,6]C[3,5]C[4,6]C[5,6])(H)3	C[5,6](C[4,6]C[4,5,6]C[4,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[4,6](C[4,5,6]C[4,5,6]C[5,6]O[5])(C[4,6]C[4,5,6]C[5,6]H)(C[5,6]C[3,5]C[5,6]C)(H){1|O<2>,2|H<1>,4|C<3>,6|C<4>}	C(C[5,6]C[3,5]C[4,6]C[5,6])(H)3	107.5405	0.148	2	107.5405	0.022	2	107.5405	0.022	2	107.5405	0.022	2	108.3493	0.445	6	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5,5]	C	4:2:4:1:	4:4:4:3:	4:1:1:1:	C[4,5,5]-4:S[5]-2:C-4:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(S[5]C[5])(CH3)(H)	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]S[5]CH)(C[5]O[5]C)	C(C[5]C[4,5,5]S[5]H)(H)3	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(S[5]C[5])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]S[5]CH)(C[5]O[5]C){2|H<1>,4|C<4>}	C(C[5]C[4,5,5]S[5]H)(H)3	114.6090	0.000	1	114.6090	0.000	1	114.6090	0.000	1	114.6090	0.000	1	113.1592	2.361	9	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5,5]	C	4:2:4:4:	4:4:4:2:	4:1:1:1:	C[4,5,5]-4:O[5]-2:C-4:C-4:	C[4,5,6]-4:C[4,5]-4:C[5]-4:O[5]-2:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5,5]C[4,5,6]C[4,5]O[5])(O[5]C[5])(CH3)2	C[4,5,5](C[4,5,6]C[4,6]C[5,6]H)(C[4,5]C[4,6]C[5]C)(C[5]O[5]CC)(O[5]C[5])	C(C[5]C[4,5,5]O[5]C)(H)3	C[5](C[4,5,5]C[4,5,6]C[4,5]O[5])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,4|C<4>}	C[4,5,5](C[4,5,6]C[4,6]C[5,6]H)(C[4,5]C[4,6]C[5]C)(C[5]O[5]CC)(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>}	C(C[5]C[4,5,5]O[5]C)(H)3	112.9235	2.850	2	112.9235	8.124	2	112.9235	8.124	2	112.9235	8.124	2	113.1592	2.361	9	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5,5]	C	4:3:4:4:	4:4:4:3:	4:1:1:1:	C[4,5,5]-4:C[5]-3:C-4:C-4:	C[4,5,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]S[5]H)(C[5]C[5]CC)(C[5]C[5]H)	C(C[5]C[4,5,5]C[5]C)(H)3	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2{1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]S[5]H)(C[5]C[5]CC)(C[5]C[5]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C(C[5]C[4,5,5]C[5]C)(H)3	113.6890	0.967	2	113.3743	1.993	4	113.3743	1.993	4	113.3743	1.993	4	113.1592	2.361	9	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5,5]	C	4:3:4:4:	4:4:4:3:	4:1:1:1:	C[4,5,5]-4:C[5]-3:C-4:C-4:	C[4,5,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]S[5]H)(C[5]C[5]CC)(C[5]C[5]H)	C(C[5]C[4,5,5]C[5]C)(H)3	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]S[5]H)(C[5]C[5]CC)(C[5]C[5]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>,3|O<1>}	C(C[5]C[4,5,5]C[5]C)(H)3	113.0595	2.156	2	113.3743	1.993	4	113.3743	1.993	4	113.3743	1.993	4	113.1592	2.361	9	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5,5]	C	4:4:4:1:	4:4:4:2:	4:3:1:1:	C[4,5,5]-4:C[5]-4:C-4:H-1:	C[4,5,5]-4:C[5]-4:C[5]-4:O[4]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5](C[4,5,5]C[4,5,5]C[5]O[4])(C[5]C[5]HH)(CC[6a]HH)(H)	C[4,5,5](C[4,5,5]C[4]C[5]2)(C[5]C[5]CH)2(O[4]C[4])	C(C[5]C[4,5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[4,5,5]C[4,5,5]C[5]O[4])(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[4,5,5](C[4,5,5]C[4]C[5]2)(C[5]C[5]CH)2(O[4]C[4]){1|O<1>,8|H<1>}	C(C[5]C[4,5,5]C[5]H)(C[6a]C[6a]2)(H)2	112.2400	0.836	2	112.2400	0.699	2	112.2400	0.699	2	112.2400	0.699	2	113.1592	2.361	9	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5,6,6]	C	4:2:4:4:	4:4:2:4:	4:1:1:1:	C[4,5,6,6]-4:O[5]-2:C-4:C-4:	C[4,5,6]-4:C[4,6,6]-4:O[6,6]-2:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5,6,6]C[4,5,6]C[4,6,6]O[6,6])(O[5]C[5])(CH3)2	C[4,5,6,6](C[4,5,6]C[4,3x6]C[5]C)(C[4,6,6]C[4,3x6]C[6]H)(O[6,6]C[6,6])(C[5]O[5]CC)	C(C[5]C[4,5,6,6]O[5]C)(H)3	C[5](C[4,5,6,6]C[4,5,6]C[4,6,6]O[6,6])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[4,5,6,6](C[4,5,6]C[4,3x6]C[5]C)(C[4,6,6]C[4,3x6]C[6]H)(O[6,6]C[6,6])(C[5]O[5]CC){1|O<1>,2|C<4>,5|H<1>}	C(C[5]C[4,5,6,6]O[5]C)(H)3	113.7020	0.260	2	113.7020	0.068	2	113.7020	0.068	2	113.7020	0.068	2	113.7020	0.068	2	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5,6]	C	4:2:4:1:	4:4:4:3:	4:4:1:1:	C[4,5,6]-4:O[5]-2:C-4:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:N[6]-3:	C[5]-4:C-4:H-1:H-1:	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H)	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]CH)(N[6]C[6]H)	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]CH)(N[6]C[6]H){1|N<3>,2|C<4>,2|O<1>,5|H<1>}	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	112.7574	5.713	9	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5,6]	C	4:3:4:4:	3:4:3:4:	4:1:1:1:	C[4,5,6]-4:C[5,6a]-3:C-4:C-4:	C[4,6a]-3:C[4,6]-4:N[5,6]-3:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)	C(C[5]C[4,5,6]C[5,6a]C)(H)3	C[5](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{2|C<4>,2|H<1>,4|C<3>}	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC){1|C<4>,3|H<1>,6|C<3>}	C(C[5]C[4,5,6]C[5,6a]C)(H)3	112.2946	2.080	8	112.2946	4.326	8	112.2946	4.326	8	112.2946	4.326	8	112.7574	5.713	9	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:2:4:1:	4:3:4:2:	4:1:1:1:	C[4,5]-4:S[5]-2:C-4:H-1:	C[4,5]-4:C[6a]-3:C[5]-4:O[4]-2:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]C[6a]O[4])(S[5]C[5])(CH3)(H)	C[4,5](C[4,5]C[4]C[5]C)(C[6a]C[6a]2)(C[5]S[5]CH)(O[4]C[4])	C(C[5]C[4,5]S[5]H)(H)3	C[5](C[4,5]C[4,5]C[6a]O[4])(S[5]C[5])(CH3)(H){1|C<4>,1|O<2>,4|C<3>}	C[4,5](C[4,5]C[4]C[5]C)(C[6a]C[6a]2)(C[5]S[5]CH)(O[4]C[4]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[4,5]S[5]H)(H)3	116.5510	0.000	1	116.5510	0.000	1	116.5510	0.000	1	116.5510	0.000	1	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:2:4:1:	4:4:3:1:	4:2:1:1:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(H)	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(H){1|H<1>,1|O<1>}	C(C[5]C[4,5]O[5]H)(OC)(H)2	115.0720	0.000	1	115.0720	0.000	1	115.3000	0.104	2	115.3000	0.104	2	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:2:4:1:	4:4:3:1:	4:2:1:1:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(H)	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|N<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(H){1|N<3>,2|H<1>}	C(C[5]C[4,5]O[5]H)(OH)(H)2	115.5280	0.000	1	115.5280	0.000	1	115.3000	0.104	2	115.3000	0.104	2	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:2:4:1:	4:4:3:3:	4:1:1:1:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[5]-4:N[4]-3:C-3:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(N[4]C[4]S)(COO)	C(C[5]C[4,5]O[5]H)(H)3	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(N[4]C[4]S)(COO){1|C<3>,3|H<1>}	C(C[5]C[4,5]O[5]H)(H)3	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:2:4:1:	4:4:3:4:	4:2:1:1:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(CH3)	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(CH3){1|H<1>,1|O<1>}	C(C[5]C[4,5]O[5]H)(OC)(H)2	116.4610	0.000	1	116.4610	0.000	1	116.4610	0.000	1	116.4610	0.000	1	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[4,5]-4:S[5]-2:C-4:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5,5]C[4,5]H)(S[5]C[5])(CH3)(H)	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]C[5]H)(C[5]S[5]CH)(H)	C(C[5]C[4,5]S[5]H)(H)3	C[5](C[4,5]C[4,5,5]C[4,5]H)(S[5]C[5])(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]C[5]H)(C[5]S[5]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[5]C[4,5]S[5]H)(H)3	112.4020	0.000	1	112.4020	0.000	1	112.4020	0.000	1	112.3125	0.016	2	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	C[4,5]-4:S[5]-2:C-4:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]2H)(S[5]C[5])(CH3)(H)	C[4,5](C[4,5]C[4,5]C[5]C)(C[4,5]C[4,5]C[5]H)(C[5]S[5]CH)(H)	C(C[5]C[4,5]S[5]H)(H)3	C[5](C[4,5]C[4,5]2H)(S[5]C[5])(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[4,5](C[4,5]C[4,5]C[5]C)(C[4,5]C[4,5]C[5]H)(C[5]S[5]CH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[4,5]S[5]H)(H)3	112.2230	0.000	1	112.2230	0.000	1	112.2230	0.000	1	112.3125	0.016	2	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:2:4:1:	4:4:4:1:	4:2:1:1:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]F)(C[4]C[4]HH)(C[5]O[5]CH)(H)	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|N<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]F)(C[4]C[4]HH)(C[5]O[5]CH)(H){1|N<3>,3|H<1>}	C(C[5]C[4,5]O[5]H)(OH)(H)2	114.5830	0.000	1	114.5830	0.000	1	117.2470	21.570	4	117.2470	21.570	4	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:2:4:1:	4:4:4:1:	4:2:1:1:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]O[5]CH)(H)	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]O[5]CH)(H){1|O<1>,2|H<1>}	C(C[5]C[4,5]O[5]H)(OC)(H)2	122.3470	0.000	1	122.3470	0.000	1	117.2470	21.570	4	117.2470	21.570	4	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:2:4:1:	4:4:4:1:	4:2:1:1:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]CH)(H)	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]CH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[4,5]O[5]H)(OC)(H)2	119.8130	0.000	1	119.8130	0.000	1	117.2470	21.570	4	117.2470	21.570	4	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:2:4:1:	4:4:4:1:	4:2:1:1:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]CH)(H)	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]CH)(H){1|N<3>,3|H<1>}	C(C[5]C[4,5]O[5]H)(OH)(H)2	112.2450	0.000	1	112.2450	0.000	1	117.2470	21.570	4	117.2470	21.570	4	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:2:4:1:	4:4:4:3:	4:1:1:1:	C[4,5]-4:S[5]-2:C-4:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]2C)(S[5]C[5])(CH3)(H)	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]S[5]CH)(COO)	C(C[5]C[4,5]S[5]H)(H)3	C[5](C[4,5]C[4,5]2C)(S[5]C[5])(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]S[5]CH)(COO){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[4,5]S[5]H)(H)3	117.1320	0.000	1	117.1320	0.000	1	117.1320	0.000	1	117.1320	0.000	1	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[4,5]-4:O[5]-2:C-4:C-4:	C[4,5,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5,6])(CH3)2	C[4,5](C[4,5,6]C[4,6]C[5,6]C)(C[4]C[4,6]HH)(C[5]O[5]CC)(H)	C(C[5]C[4,5]O[5]C)(H)3	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[4,5](C[4,5,6]C[4,6]C[5,6]C)(C[4]C[4,6]HH)(C[5]O[5]CC)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[5]C[4,5]O[5]C)(H)3	112.7013	3.060	4	112.7013	9.366	4	112.7013	9.366	4	112.7013	9.366	4	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C[4,5]-4:C[5]-3:C-4:H-1:	N[4,5]-3:C[4]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H)	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]CH)(C[5]C[5]CH)(H)	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]CH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|S<2>}	C(C[5]C[4,5]C[5]H)(H)3	115.3845	0.609	2	115.3845	0.371	2	115.3845	0.371	2	115.3845	0.371	2	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C[4,5]-4:C[5]-3:C-4:H-1:	C[4,5]-4:C[5]-4:O[4]-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]O)(CH3)(H)	C[4,5](C[4,5]C[4]N[5]C)(C[5]C[5]CH)(O[4]C[4])(H)	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,5](C[4,5]C[4]N[5]C)(C[5]C[5]CH)(O[4]C[4])(H){1|H<1>,2|O<1>}	C(C[5]C[4,5]C[5]H)(H)3	116.0750	1.339	3	116.0750	1.792	3	116.0750	1.792	3	116.0750	1.792	3	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:3:4:1:	4:4:3:1:	4:2:1:1:	C[4,5]-4:N[5,5]-3:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:Se-2:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]H)(N[5,5]C[5,5]O[5])(CSeHH)(H)	C[4,5](C[4,5]C[5,5]N[4]H)(C[5]N[5,5]CH)(C[4]N[4]O)(H)	C(C[5]C[4,5]N[5,5]H)(SeC[6a])(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5,5]C[5,5]O[5])(CSeHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[5,5]N[4]H)(C[5]N[5,5]CH)(C[4]N[4]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[4,5]N[5,5]H)(SeC[6a])(H)2	114.5610	0.195	2	114.5610	0.038	2	114.5610	0.038	2	114.5610	0.038	2	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[4,5]-4:C[5]-3:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(CCHH)(H)	C[4,5](C[4,5]C[4]O[5]C)(C[4]C[4]HH)(C[5]C[5]CH)(H)	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(CCHH)(H){2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]O[5]C)(C[4]C[4]HH)(C[5]C[5]CH)(H){1|O<1>,2|C<4>}	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	116.4015	0.380	2	116.4015	0.144	2	116.4015	0.144	2	116.4015	0.144	2	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	C[4,5]-4:N[5]-3:C-4:O-2:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(CF3)(OH)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]N[5]CO)(H)	C(C[5]C[4,5]N[5]O)(F)3	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(CF3)(OH){1|C<4>,1|O<1>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]N[5]CO)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[4,5]N[5]O)(F)3	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:3:4:3:	4:4:2:4:	4:2:1:1:	C[4,5]-4:N[5]-3:C-4:C-3:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5](C[4,5]C[4,5]O[4]C)(N[5]C[5]C)(CHHO)(COO)	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]CC)(O[4]C[4])(CH3)	C(C[5]C[4,5]N[5]C)(OC)(H)2	C[5](C[4,5]C[4,5]O[4]C)(N[5]C[5]C)(CHHO)(COO){1|C<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]CC)(O[4]C[4])(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[4,5]N[5]C)(OC)(H)2	113.3480	0.000	1	113.3480	0.000	1	113.3480	0.000	1	113.3480	0.000	1	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[4,5]-4:C[5]-3:C-4:C-4:	C[4,5,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]N[5,6]O)(CH3)2	C[4,5](C[4,5,6]C[4,6]N[5,6]H)(C[4]C[4,6]HH)(C[5]C[5]CC)(H)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]N[5,6]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[4,5](C[4,5,6]C[4,6]N[5,6]H)(C[4]C[4,6]HH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[4,5]C[5]C)(H)3	113.0297	2.610	4	113.0297	6.813	4	113.0297	6.813	4	112.3605	6.470	10	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[4,5]-4:C[5]-3:C-4:C-4:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(CH3)2	C[4,5](C[4,5]C[4]N[5]H)(C[4]C[4]HH)(C[5]C[5]CC)(H)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]N[5]H)(C[4]C[4]HH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[4,5]C[5]C)(H)3	112.3648	2.784	4	112.3648	7.751	4	112.3648	7.751	4	112.3605	6.470	10	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[4,5]-4:N[5]-3:C-4:C-4:	C[4,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(CH3)2	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]N[5]CC)(H)	C(C[5]C[4,5]N[5]C)(H)3	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(CH3)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]N[5]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C(C[5]C[4,5]N[5]C)(H)3	111.0135	3.020	2	111.0135	9.121	2	111.0135	9.121	2	112.3605	6.470	10	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:1:	3:4:4:1:	4:3:1:1:	C[4,5]-4:C[5]-4:C-4:H-1:	N[4,5]-3:C[4]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5](C[4,5]N[4,5]C[4]H)(C[5]S[4,5,5]C[5]H)(CC[6a]HH)(H)	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]HO)(C[5]C[5]CH)(H)	C(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[4,5]N[4,5]C[4]H)(C[5]S[4,5,5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|C<5>,1|C<6>,1|O<2>,2|H<1>,2|O<1>}	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]HO)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|S<5>,2|H<1>}	C(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(H)2	113.9240	0.000	1	113.9240	0.000	1	113.9240	0.000	1	113.9240	0.000	1	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[4,5]-4:C[5]-4:C-4:H-1:	C[4,6a]-3:C[4,5]-4:C[5]-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(CCHH)(H)	C[4,5](C[4,6a]C[4,6a]C[6a])(C[4,5]C[4,6a]C[5]H)(C[5]C[5]CH)(H)	C(C[5]C[4,5]C[5]H)(CHHN)(H)2	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(CCHH)(H){2|C<3>,3|H<1>}	C[4,5](C[4,6a]C[4,6a]C[6a])(C[4,5]C[4,6a]C[5]H)(C[5]C[5]CH)(H){2|C<3>,5|H<1>}	C(C[5]C[4,5]C[5]H)(CHHN)(H)2	113.8810	0.000	1	113.8810	0.000	1	113.8810	0.000	1	113.8810	0.000	1	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:Cl-1:	C[5]-4:Cl-1:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClHH)(H)	C[4,5](C[4,5]C[6a]N[4]O[5])(C[5]C[5]CH)(C[4]N[4]O)(Cl)	C(C[5]C[4,5]C[5]H)(Cl)(H)2	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClHH)(H){1|C<3>,1|N<3>,1|O<1>}	C[4,5](C[4,5]C[6a]N[4]O[5])(C[5]C[5]CH)(C[4]N[4]O)(Cl){2|H<1>,3|C<3>}	C(C[5]C[4,5]C[5]H)(Cl)(H)2	112.4280	0.000	1	112.4280	0.000	1	112.4280	0.000	1	110.8845	4.765	2	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(CH3)(H)	C[4,5](C[4,5]C[5]O[4]C)(C[5]C[5]CH)(C[4]O[4]O)(H)	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[5]O[4]C)(C[5]C[5]CH)(C[4]O[4]O)(H){2|C<3>,2|H<1>}	C(C[5]C[4,5]C[5]H)(H)3	109.3410	0.000	1	109.3410	0.000	1	109.3410	0.000	1	110.8845	4.765	2	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CH3)(H)	C[4,5](C[4,5,5]C[4,5,5]C[5,5]H)(C[4,5]C[4,5,5]C[5]H)(C[5]C[5]CH)(H)	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	C[4,5](C[4,5,5]C[4,5,5]C[5,5]H)(C[4,5]C[4,5,5]C[5]H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	C(C[5]C[4,5]C[5]H)(H)3	115.7160	0.000	1	115.7160	0.000	1	115.7160	0.000	1	115.7160	0.000	1	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[4,5]-4:C[5]-4:C-4:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CCHH)(H)	C[4,5](C[4,5,5]C[4,5,5]C[5,5]H)(C[4,5]C[4,5,5]C[5]H)(C[5]C[5]CH)(H)	C(C[5]C[4,5]C[5]H)(CH3)(H)2	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CCHH)(H){1|O<2>,2|H<1>,3|C<4>}	C[4,5](C[4,5,5]C[4,5,5]C[5,5]H)(C[4,5]C[4,5,5]C[5]H)(C[5]C[5]CH)(H){1|C<3>,1|O<2>,1|S<2>,3|C<4>,3|H<1>}	C(C[5]C[4,5]C[5]H)(CH3)(H)2	113.6250	0.000	1	113.6250	0.000	1	113.6250	0.000	1	112.6050	2.081	2	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[4,5]-4:C[5]-4:C-4:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCHH)(H)	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]C[5]CH)(H)	C(C[5]C[4,5]C[5]H)(CH3)(H)2	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]C[5]CH)(H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[4,5]C[5]H)(CH3)(H)2	111.5850	0.000	1	111.5850	0.000	1	111.5850	0.000	1	112.6050	2.081	2	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:O-2:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(CH3)(OH)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HO)(C[5]C[5]CO)(H)	C(C[5]C[4,5]C[5]O)(H)3	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(CH3)(OH){1|C<4>,2|O<2>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HO)(C[5]C[5]CO)(H){1|O<2>,5|H<1>}	C(C[5]C[4,5]C[5]O)(H)3	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	116.3480	0.000	1	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:2:	4:4:4:4:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:O-2:	C[4,5]-4:C[4]-4:C[5]-4:S-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]HO)(CH3)(OH)	C[4,5](C[4,5]C[4]C[5]C)(C[4]C[4]HH)(C[5]C[5]CO)(SC[6a]OO)	C(C[5]C[4,5]C[5]O)(H)3	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]HO)(CH3)(OH){2|C<4>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]C)(C[4]C[4]HH)(C[5]C[5]CO)(SC[6a]OO){1|O<2>,5|H<1>}	C(C[5]C[4,5]C[5]O)(H)3	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:4:	3:4:3:3:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:C-4:	N[5]-3:C[5]-4:B[4]-3:C[4]-3:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]B[4]C[4]N[5])(C[5]C[5]HH)(CH3)2	C[4,5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[4]N[4]B)(C[4]N[4]N)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]B[4]C[4]N[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[4,5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[4]N[4]B)(C[4]N[4]N){2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[4,5]C[5]C)(H)3	112.8255	2.480	2	112.8255	6.150	2	112.8255	6.150	2	112.8255	6.150	2	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]O[4]C)(C[5]N[5]HH)(CH3)2	C[4,5](C[4,5]C[6a]N[5]O[4])(C[5]C[5]CC)(O[4]O[4])(CC3)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]N[5]HH)(CH3)2{1|O<2>,2|C<3>}	C[4,5](C[4,5]C[6a]N[5]O[4])(C[5]C[5]CC)(O[4]O[4])(CC3){2|H<1>,3|C<3>}	C(C[5]C[4,5]C[5]C)(H)3	114.4364	0.931	10	114.4364	0.866	10	114.0515	1.817	30	114.0515	1.817	30	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]O[4]C)(C[5]O[5]HH)(CH3)2	C[4,5](C[4,5]C[6]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CC3)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]O[5]HH)(CH3)2{1|C<3>,1|O<2>}	C[4,5](C[4,5]C[6]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CC3){2|C<3>,2|H<1>}	C(C[5]C[4,5]C[5]C)(H)3	114.2240	0.232	2	114.2240	0.054	2	114.0515	1.817	30	114.0515	1.817	30	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]O[4]C)(C[5]O[5]HH)(CH3)2	C[4,5](C[4,5]C[6a]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CC3)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]O[5]HH)(CH3)2{1|C<3>,1|O<2>}	C[4,5](C[4,5]C[6a]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CC3){2|C<3>,2|H<1>}	C(C[5]C[4,5]C[5]C)(H)3	114.3885	0.669	10	114.3885	0.447	10	114.0515	1.817	30	114.0515	1.817	30	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]O[4]C)(C[5]O[5]HH)(CH3)2	C[4,5](C[4,5]C[6a]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CCCH)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]O[5]HH)(CH3)2{1|C<3>,1|O<2>}	C[4,5](C[4,5]C[6a]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CCCH){2|C<3>,2|H<1>}	C(C[5]C[4,5]C[5]C)(H)3	112.8605	3.057	2	112.8605	9.344	2	114.0515	1.817	30	114.0515	1.817	30	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]O[4]C)(C[5]O[5]HH)(CH3)2	C[4,5](C[4,5]C[6a]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CCHH)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]O[5]HH)(CH3)2{1|C<3>,1|O<2>}	C[4,5](C[4,5]C[6a]O[4]O[5])(C[5]C[5]CC)(O[4]O[4])(CCHH){2|C<3>,2|H<1>}	C(C[5]C[4,5]C[5]C)(H)3	112.2435	4.311	2	112.2435	18.587	2	114.0515	1.817	30	114.0515	1.817	30	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2	C[4,5](C[4,5]C[6a]O[4]S[5])(C[5]C[5]CC)(O[4]O[4])(CC3)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2{1|C<3>,1|O<2>,2|O<1>}	C[4,5](C[4,5]C[6a]O[4]S[5])(C[5]C[5]CC)(O[4]O[4])(CC3){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[5]C[4,5]C[5]C)(H)3	113.8110	0.358	2	113.6600	0.075	4	114.0515	1.817	30	114.0515	1.817	30	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4,5]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[4,5]-4:C[5]-4:C-4:C-4:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2	C[4,5](C[4,5]C[6a]O[4]S[5])(C[5]C[5]CC)(O[4]O[4])(CC3)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2{1|C<3>,1|O<2>}	C[4,5](C[4,5]C[6a]O[4]S[5])(C[5]C[5]CC)(O[4]O[4])(CC3){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[4,5]C[5]C)(H)3	113.5090	0.082	2	113.6600	0.075	4	114.0515	1.817	30	114.0515	1.817	30	114.1254	5.498	78	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	C[4]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[4](C[5]C[5]O[5]C)(C[4]C[4]CH)(C[4]C[4]HH)(H)	C(C[5]C[4]C[5]O[5])(H)3	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[4](C[5]C[5]O[5]C)(C[4]C[4]CH)(C[4]C[4]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[4]C[5]O[5])(H)3	111.7730	0.000	1	111.7730	0.000	1	111.7730	0.000	1	111.7730	0.000	1	109.4646	2.040	9	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4]	C	4:4:2:4:	4:4:4:1:	4:2:1:1:	C[4]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CHHO)	C[4](C[5]C[5]O[5]C)(C[4]C[4]CH)(C[4]C[4]HH)(H)	C(C[5]C[4]C[5]O[5])(OC)(H)2	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CHHO){1|O<1>,2|C<4>,5|H<1>}	C[4](C[5]C[5]O[5]C)(C[4]C[4]CH)(C[4]C[4]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[4]C[5]O[5])(OC)(H)2	108.6805	1.497	4	108.6805	2.241	4	108.6805	2.241	4	108.6805	2.241	4	109.4646	2.040	9	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4]	C	4:4:3:4:	4:4:4:1:	4:2:1:1:	C[4]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO)	C[4](C[5]C[5]N[5]C)(C[4]C[4]HH)2(H)	C(C[5]C[4]C[5]N[5])(OH)(H)2	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO){1|C<4>,1|O<1>,4|H<1>}	C[4](C[5]C[5]N[5]C)(C[4]C[4]HH)2(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[4]C[5]N[5])(OH)(H)2	110.1200	0.668	2	110.1200	0.446	2	110.1200	0.446	2	109.9670	0.293	3	109.4646	2.040	9	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4]	C	4:4:3:4:	4:4:4:1:	4:2:1:1:	C[5]-4:C[4]-4:N[5]-3:C-4:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[5]C[3]O[5]H)(C[4]C[4]2H)(N[5]C[5]H)(CHHO)	C[4](C[5]C[5]N[5]C)(C[4]C[4]HH)2(H)	C(C[5]C[4]C[5]N[5])(OSi)(H)2	C[5](C[5]C[3]O[5]H)(C[4]C[4]2H)(N[5]C[5]H)(CHHO){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4](C[5]C[5]N[5]C)(C[4]C[4]HH)2(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[4]C[5]N[5])(OSi)(H)2	109.6610	0.000	1	109.6610	0.000	1	109.6610	0.000	1	109.9670	0.293	3	109.4646	2.040	9	113.0984	8.679	168
474	478	490	0:SP3_SP3_SP3	C[5]	C[4]	C	4:4:3:4:	4:4:4:1:	4:3:1:1:	C[4]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHN)	C[4](C[5]C[5]N[5]C)(C[4]C[4]HH)2(H)	C(C[5]C[4]C[5]N[5])(NCH)(H)2	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHN){1|C<4>,1|O<1>,4|H<1>}	C[4](C[5]C[5]N[5]C)(C[4]C[4]HH)2(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[4]C[5]N[5])(NCH)(H)2	108.7850	0.000	1	108.7850	0.000	1	108.7850	0.000	1	108.7850	0.000	1	109.4646	2.040	9	113.0984	8.679	168
474	478	542	0:SP3_SP2_SP3	C[5,6,6]	C[4,6,6]	N[5]	4:4:4:3:	4:4:4:1:	4:3:1:	C[4,6,6]-4:C[6,6]-4:C[5]-4:N[5]-3:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]O[5]HH)(N[5]C[5]H)	C[4,6,6](C[5,6,6]C[6,6]C[5]N[5])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	N[5](C[5,6,6]C[4,6,6]C[6,6]C[5])(C[5]O[5]O)(H)	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]O[5]HH)(N[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	C[4,6,6](C[5,6,6]C[6,6]C[5]N[5])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	N[5](C[5,6,6]C[4,6,6]C[6,6]C[5])(C[5]O[5]O)(H){3|C<4>,5|H<1>}	112.7985	0.026	2	112.7985	0.001	2	112.7985	0.001	2	112.7985	0.001	2	112.7985	0.001	2	111.7581	6.464	10
474	478	542	0:SP3_SP2_SP3	C[5,6]	C[4,6]	N[5]	4:4:3:1:	4:4:2:1:	4:4:3:	C[4,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[4,6]-4:O[4]-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[4,6]C[4,6]O[4]H)(C[5,6]C[5,6]BrH)(N[5]C[5]C)(H)	C[4,6](C[5,6]C[5,6]N[5]H)(C[4,6]C[4]C[6]H)(O[4]C[4])(H)	N[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(COO)	C[5,6](C[4,6]C[4,6]O[4]H)(C[5,6]C[5,6]BrH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[5,6]C[5,6]N[5]H)(C[4,6]C[4]C[6]H)(O[4]C[4])(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(COO){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	104.9630	0.000	1	104.9630	0.000	1	104.9630	0.000	1	104.9630	0.000	1	104.9630	0.000	1	111.7581	6.464	10
474	478	542	0:SP3_SP2_SP3	C[5,6]	C[4]	N[5]	4:4:4:3:	4:4:4:1:	4:3:4:	C[5,6]-4:C[4]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[4]-4:C[4]-4:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[6]O[5]H)(C[4]C[4]2H)(C[6]N[6]HH)(N[5]C[5]C)	C[4](C[5,6]C[5,6]C[6]N[5])(C[4]C[4]HH)2(H)	N[5](C[5,6]C[5,6]C[4]C[6])(C[5]O[5]O)(CC[6a]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[4]C[4]2H)(C[6]N[6]HH)(N[5]C[5]C){1|O<1>,4|C<4>,5|H<1>}	C[4](C[5,6]C[5,6]C[6]N[5])(C[4]C[4]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[5,6]C[5,6]C[4]C[6])(C[5]O[5]O)(CC[6a]HH){1|N<3>,3|C<4>,4|H<1>}	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	111.2500	0.000	1	111.7581	6.464	10
474	478	542	0:SP3_SP2_SP3	C[5]	C[4]	N[5]	4:4:3:1:	4:4:2:1:	4:4:3:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[4]-4:O[4]-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[4]C[4]O[4]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[4](C[5]C[5]N[5]H)(C[4]C[4,5]HH)(O[4]C[4,5])(H)	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CC[6a]O)	C[5](C[4]C[4]O[4]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,6|H<1>}	C[4](C[5]C[5]N[5]H)(C[4]C[4,5]HH)(O[4]C[4,5])(H){1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CC[6a]O){1|C<4>,1|O<2>,5|H<1>}	111.5560	0.979	2	111.5560	0.958	2	111.5560	0.958	2	111.5560	0.958	2	112.6285	1.007	6	111.7581	6.464	10
474	478	542	0:SP3_SP2_SP3	C[5]	C[4]	N[5]	4:4:3:1:	4:4:3:1:	4:4:1:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[4]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[4](C[4]C[6a]C[4]H)(C[5]C[5]N[5]H)(N[4]C[6a]C[4])(H)	N[5](C[5]C[4]C[5]H)(C[5]C[5]CC)(H)	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[4](C[4]C[6a]C[4]H)(C[5]C[5]N[5]H)(N[4]C[6a]C[4])(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[4]C[5]H)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	113.5055	0.265	2	113.5055	0.070	2	113.5055	0.070	2	113.5055	0.070	2	112.6285	1.007	6	111.7581	6.464	10
474	478	542	0:SP3_SP2_SP3	C[5]	C[4]	N[5]	4:4:3:4:	4:4:4:1:	4:3:1:	C[5]-4:C[4]-4:N[5]-3:C-4:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[3]O[5]H)(C[4]C[4]2H)(N[5]C[5]H)(CHHO)	C[4](C[5]C[5]N[5]C)(C[4]C[4]HH)2(H)	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(H)	C[5](C[5]C[3]O[5]H)(C[4]C[4]2H)(N[5]C[5]H)(CHHO){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4](C[5]C[5]N[5]C)(C[4]C[4]HH)2(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(H){2|H<1>,3|C<4>}	112.6110	0.000	1	112.6110	0.000	1	112.6110	0.000	1	112.6110	0.000	1	112.6285	1.007	6	111.7581	6.464	10
474	478	542	0:SP3_SP2_SP3	C[5]	C[4]	N[5]	4:4:3:4:	4:4:4:1:	4:3:4:	C[4]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO)	C[4](C[5]C[5]N[5]C)(C[4]C[4]HH)2(H)	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH)	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO){1|C<4>,1|O<1>,4|H<1>}	C[4](C[5]C[5]N[5]C)(C[4]C[4]HH)2(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH){2|H<1>,3|C<4>}	113.0370	0.000	1	113.0370	0.000	1	113.0370	0.000	1	113.0370	0.000	1	112.6285	1.007	6	111.7581	6.464	10
474	478	542	0:SP3_SP3_SP3	C[5]	C[4]	N[5,6]	3:4:4:1:	4:4:3:1:	4:4:4:	N[5,6]-3:C[4]-4:C[5]-4:H-1:	C[5]-4:C[4]-4:N[4]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5](N[5,6]C[5,6]C[6])(C[4]C[4]N[4]H)(C[5]C[5]HN)(H)	C[4](C[5]N[5,6]C[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[4]C[5]H)(C[6]C[6,6a]HH)	C[5](N[5,6]C[5,6]C[6])(C[4]C[4]N[4]H)(C[5]C[5]HN)(H){1|C<4>,4|H<1>,6|C<3>}	C[4](C[5]N[5,6]C[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[4]C[5]H)(C[6]C[6,6a]HH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	114.2860	0.000	1	114.2860	0.000	1	114.2860	0.000	1	114.2860	0.000	1	114.2860	0.000	1	113.6240	3.289	7
474	478	542	0:SP3_SP3_SP3	C[5]	C[4]	N[5]	4:4:3:1:	4:4:3:1:	4:4:1:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[4]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[4](C[4]C[6a]C[4]H)(C[5]C[5]N[5]H)(N[4]C[6a]C[4])(H)	N[5](C[5]C[4]C[5]H)(C[5]C[5]CC)(H)	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[4](C[4]C[6a]C[4]H)(C[5]C[5]N[5]H)(N[4]C[6a]C[4])(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[4]C[5]H)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	114.6010	1.769	2	114.6010	3.130	2	114.6010	3.130	2	114.6010	3.130	2	113.5137	3.845	6	113.6240	3.289	7
474	478	542	0:SP3_SP3_SP3	C[5]	C[4]	N[5]	4:4:3:1:	4:4:3:1:	4:4:4:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[4]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[4](C[4]C[6a]C[4]H)(C[5]C[5]N[5]H)(N[4]C[6a]C[4])(H)	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CH3)	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[5]C[5]N[5]H)(N[4]C[6a]C[4])(H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	111.4325	2.629	2	113.5137	3.845	6	113.6240	3.289	7
474	478	542	0:SP3_SP3_SP3	C[5]	C[4]	N[5]	4:4:3:1:	4:4:3:1:	4:4:4:	C[5,5]-4:C[4]-4:N[5]-3:H-1:	C[5]-4:C[4]-4:N[4]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5](C[5,5]C[5]2N[5])(C[4]C[4]N[4]H)(N[5]C[5]C)(H)	C[4](C[5]C[5,5]N[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H)	N[5](C[5]C[5,5]C[4]H)(C[5]C[5]HH)(CH3)	C[5](C[5,5]C[5]2N[5])(C[4]C[4]N[4]H)(N[5]C[5]C)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[4](C[5]C[5,5]N[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H){1|N<2>,1|O<1>,3|C<4>,5|C<3>}	N[5](C[5]C[5,5]C[4]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	112.5790	0.000	1	112.5790	0.000	1	112.5790	0.000	1	111.4325	2.629	2	113.5137	3.845	6	113.6240	3.289	7
474	478	542	0:SP3_SP3_SP3	C[5]	C[4]	N[5]	4:4:3:4:	4:4:4:1:	4:3:4:	C[4]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHN)	C[4](C[5]C[5]N[5]C)(C[4]C[4]HH)2(H)	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH)	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHN){1|C<4>,1|O<1>,4|H<1>}	C[4](C[5]C[5]N[5]C)(C[4]C[4]HH)2(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	114.9890	0.000	1	114.9890	0.000	1	114.5075	0.464	2	114.5075	0.464	2	113.5137	3.845	6	113.6240	3.289	7
474	478	542	0:SP3_SP3_SP3	C[5]	C[4]	N[5]	4:4:3:4:	4:4:4:1:	4:3:4:	C[4]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO)	C[4](C[5]C[5]N[5]C)(C[4]C[4]HH)2(H)	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH)	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO){1|C<4>,1|O<1>,4|H<1>}	C[4](C[5]C[5]N[5]C)(C[4]C[4]HH)2(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH){2|H<1>,3|C<4>}	114.0260	0.000	1	114.0260	0.000	1	114.5075	0.464	2	114.5075	0.464	2	113.5137	3.845	6	113.6240	3.289	7
474	478	542	5:SP3_SP2_SP3	C[5,5]	C[4,5,5]	N[5,5]	4:3:1:1:	4:4:4:1:	4:4:3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:F-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5](C[4,5,5]C[4,5]2F)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(F)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO)	C[5,5](C[4,5,5]C[4,5]2F)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(F){2|C<3>}	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO){1|F<1>,4|H<1>}	96.2108	0.000	1	96.2108	0.000	1	96.2108	0.000	1	96.9078	0.510	9	96.9078	0.510	9	99.6861	11.341	16
474	478	542	5:SP3_SP2_SP3	C[5,5]	C[4,5,5]	N[5,5]	4:3:1:1:	4:4:4:1:	4:4:3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(C[5,5]N[5,5]HH)(H)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[4,5]O)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(C[5,5]N[5,5]HH)(H){1|C<3>,1|H<1>}	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[4,5]O){1|C<3>,4|H<1>}	96.8135	0.890	3	96.8135	0.793	3	96.9949	0.505	8	96.9078	0.510	9	96.9078	0.510	9	99.6861	11.341	16
474	478	542	5:SP3_SP2_SP3	C[5,5]	C[4,5,5]	N[5,5]	4:3:1:1:	4:4:4:1:	4:4:3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(C[5,5]N[5,5]HH)(H)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(C[5,5]N[5,5]HH)(H){1|C<3>,1|H<1>}	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|C<3>,4|H<1>}	96.7347	0.940	2	96.7347	0.883	2	96.9949	0.505	8	96.9078	0.510	9	96.9078	0.510	9	99.6861	11.341	16
474	478	542	5:SP3_SP2_SP3	C[5,5]	C[4,5,5]	N[5,5]	4:3:1:1:	4:4:4:1:	4:4:3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)(C[4,5]C[4,5,5]HN)(C[5,5]N[5,5]HH)(H)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|N<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)(C[4,5]C[4,5,5]HN)(C[5,5]N[5,5]HH)(H){1|C<3>,1|H<1>}	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|N<3>,4|H<1>}	97.1153	0.350	2	97.1153	0.123	2	96.9949	0.505	8	96.9078	0.510	9	96.9078	0.510	9	99.6861	11.341	16
474	478	542	5:SP3_SP2_SP3	C[5,5]	C[4,5,5]	N[5,5]	4:3:1:1:	4:4:4:1:	4:4:3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(H){2|C<3>}	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO){5|H<1>}	97.8186	0.000	1	97.8186	0.000	1	96.9949	0.505	8	96.9078	0.510	9	96.9078	0.510	9	99.6861	11.341	16
474	478	542	5:SP3_SP2_SP3	C[5]	C[4,5,5]	N[5]	4:3:1:1:	4:4:4:4:	4:4:3:	C[4,5,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:C-3:	C[5](C[4,5,5]C[4,5]2C[5])(N[5]C[5]C)(H)2	C[4,5,5](C[4,5]C[4]C[5]F)2(C[5]N[5]HH)2	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)	C[5](C[4,5,5]C[4,5]2C[5])(N[5]C[5]C)(H)2{1|N<3>,2|C<4>,2|F<1>,4|H<1>}	C[4,5,5](C[4,5]C[4]C[5]F)2(C[5]N[5]HH)2{1|C<3>,1|C<4>,6|H<1>}	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO){1|F<1>,3|C<4>}	103.3840	0.000	1	103.3840	0.000	1	103.3840	0.000	1	103.3840	0.000	1	103.3840	0.000	1	99.6861	11.341	16
474	478	542	5:SP3_SP2_SP3	C[5]	C[4,5]	N[5]	4:3:1:1:	4:4:3:1:	4:3:4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]HH)(C[4]C[4]C)(H)	N[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(SC[6a]OO)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]HH)(C[4]C[4]C)(H){1|C<3>,1|O<1>,1|S<4>}	N[5](C[5]C[4,5]HH)(C[5]C[4,5]O)(SC[6a]OO){2|C<3>,2|H<1>}	103.2090	0.000	1	103.2090	0.000	1	103.2090	0.000	1	103.2090	0.000	1	103.2372	1.447	6	99.6861	11.341	16
474	478	542	5:SP3_SP2_SP3	C[5]	C[4,5]	N[5]	4:3:1:1:	4:4:4:1:	3:4:3:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[5]-4:H-1:	C[5,6]-3:C[5]-4:C-3:	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5,6]C)(H)2	C[4,5](C[4,5,6]C[6,6a]C[5,6]C[4])(C[4]C[4]HH)(C[5]N[5]HH)(H)	N[5](C[5,6]C[4,5,6]C[6])(C[5]C[4,5]HH)(COO)	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5,6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[4,5](C[4,5,6]C[6,6a]C[5,6]C[4])(C[4]C[4]HH)(C[5]N[5]HH)(H){2|H<1>,4|C<3>}	N[5](C[5,6]C[4,5,6]C[6])(C[5]C[4,5]HH)(COO){2|C<3>,2|C<4>,2|H<1>}	105.1640	0.000	1	105.1640	0.000	1	105.1640	0.000	1	105.1640	0.000	1	103.2372	1.447	6	99.6861	11.341	16
474	478	542	5:SP3_SP2_SP3	C[5]	C[4,5]	N[5]	4:3:1:1:	4:4:4:1:	3:4:4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5]C)(H)2	C[4,5](C[4,5,6]C[4,6]C[5]C[6])(C[4]C[4,6]HH)(C[5]N[5]HH)(H)	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]HH)(CCHH)	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[4,5](C[4,5,6]C[4,6]C[5]C[6])(C[4]C[4,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]HH)(CCHH){1|C<3>,1|H<1>,2|C<4>}	102.8080	0.000	1	102.8080	0.000	1	102.8080	0.000	1	102.8080	0.000	1	103.2372	1.447	6	99.6861	11.341	16
474	478	542	5:SP3_SP2_SP3	C[5]	C[4,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:3:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:F-1:	C[5]-4:C[5]-4:C-3:	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2	C[4,5](C[4,5,5]C[4,5]C[5]2)(C[4]C[4,5]HH)(C[5]N[5]HH)(F)	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5,5]C[4,5]C[5]2)(C[4]C[4,5]HH)(C[5]N[5]HH)(F){1|C<3>,1|C<4>,1|F<1>,1|N<3>,4|H<1>}	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO){1|F<1>,3|C<4>}	103.9310	0.000	1	103.9310	0.000	1	103.9310	0.000	1	103.9310	0.000	1	103.2372	1.447	6	99.6861	11.341	16
474	478	542	5:SP3_SP2_SP3	C[5]	C[4,5]	N[5]	4:3:4:2:	4:4:4:1:	4:3:4:	C[4,5]-4:N[5]-3:C-4:O-2:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(CF3)(OH)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]N[5]CO)(H)	N[5](C[5]C[4,5]CO)(C[5]C[4,5]O)(CC[6a]HH)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(CF3)(OH){1|C<4>,1|O<1>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]N[5]CO)(H){1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[4,5]CO)(C[5]C[4,5]O)(CC[6a]HH){2|C<4>,2|H<1>}	102.6640	0.000	1	102.6640	0.000	1	102.6640	0.000	1	102.6640	0.000	1	103.2372	1.447	6	99.6861	11.341	16
474	478	542	5:SP3_SP2_SP3	C[5]	C[4,5]	N[5]	4:3:4:4:	4:4:4:1:	4:3:3:	C[4,5]-4:N[5]-3:C-4:C-4:	C[4,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(CH3)2	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]N[5]CC)(H)	N[5](C[5]C[4,5]CC)(C[5]C[4,5]O)(COO)	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(CH3)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]N[5]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[5](C[5]C[4,5]CC)(C[5]C[4,5]O)(COO){2|C<4>,2|H<1>}	101.6470	0.000	1	101.6470	0.000	1	101.6470	0.000	1	101.6470	0.000	1	103.2372	1.447	6	99.6861	11.341	16
474	478	542	5:SP3_SP3_SP3	C[5,5,6]	C[4,5,5,6]	N[5]	4:4:4:3:	4:4:4:4:	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[4,5,5]-4:C[4,6]-4:C[5]-4:	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[4,5,5,6](C[5,5,6]C[3,6]C[5]N[5])(C[4,5,5]C[4,5]C[5]2)(C[4,6]C[4,5]C[6]H)(C[5]C[5]HH)	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[4,5,5,6](C[5,5,6]C[3,6]C[5]N[5])(C[4,5,5]C[4,5]C[5]2)(C[4,6]C[4,5]C[6]H)(C[5]C[5]HH){1|Br<1>,1|O<1>,2|O<2>,4|C<4>,8|H<1>}	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>}	101.4580	0.000	1	101.4580	0.000	1	101.4580	0.000	1	101.4580	0.000	1	101.4580	0.000	1	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5,5]	C[4,5,5]	N[5,5]	4:3:1:1:	4:4:4:1:	4:4:3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(C[5,5]N[5,5]HH)(H)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(C[5,5]N[5,5]HH)(H){1|C<3>,1|H<1>}	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|C<3>,4|H<1>}	97.0367	0.000	1	97.0367	0.000	1	97.5393	0.247	4	97.5393	0.247	4	98.0839	0.868	6	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5,5]	C[4,5,5]	N[5,5]	4:3:1:1:	4:4:4:1:	4:4:3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)(C[4,5]C[4,5,5]HN)(C[5,5]N[5,5]HH)(H)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|N<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)(C[4,5]C[4,5,5]HN)(C[5,5]N[5,5]HH)(H){1|C<3>,1|H<1>}	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|N<3>,4|H<1>}	97.7068	0.450	3	97.7068	0.202	3	97.5393	0.247	4	97.5393	0.247	4	98.0839	0.868	6	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5,5]	C[4,5,5]	N[5,5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[4,5,5]-4:C[5,5]-4:C-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]BrH)2(C[5,5]N[5,5]HH)(H)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[6a]HH)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{2|Br<1>,3|H<1>}	C[4,5,5](C[4,5]C[4,5,5]BrH)2(C[5,5]N[5,5]HH)(H){1|C<4>,1|H<1>}	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[6a]HH){2|Br<1>,3|H<1>}	99.3081	0.000	1	99.3081	0.000	1	99.3081	0.000	1	99.3081	0.000	1	98.0839	0.868	6	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5,5]	C[4,5,5]	N[5,5]	4:3:1:1:	4:4:4:4:	4:4:3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:C-4:	C[4,5,5]-4:C[5,5]-4:C-3:	C[5,5](C[4,5,5]C[4,5]2C)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(CH3)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CC[6a]O)	C[5,5](C[4,5,5]C[4,5]2C)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(CH3){2|C<3>}	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CC[6a]O){1|C<4>,4|H<1>}	99.0384	0.000	1	99.0384	0.000	1	99.0384	0.000	1	99.0384	0.000	1	98.0839	0.868	6	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5,5]	C[4,5]	N[5,5]	4:3:4:1:	4:4:4:3:	4:4:2:	C[4,5]-4:N[5,5]-3:C[5]-4:H-1:	C[4,5]-4:C[4,6]-4:C[5,5]-4:C-3:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5](C[4,5]C[4,5]C[4,6]C)(N[5,5]C[5]O[5])(C[5]C[5]HH)(H)	C[4,5](C[4,5]C[4,6]O[5]Cl)(C[4,6]C[4,6]C[6]H)(C[5,5]N[5,5]C[5]H)(COO)	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]HH)(O[5]C[4,5])	C[5,5](C[4,5]C[4,5]C[4,6]C)(N[5,5]C[5]O[5])(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,5|H<1>}	C[4,5](C[4,5]C[4,6]O[5]Cl)(C[4,6]C[4,6]C[6]H)(C[5,5]N[5,5]C[5]H)(COO){4|C<4>,5|H<1>}	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]HH)(O[5]C[4,5]){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	103.6040	0.000	1	103.6040	0.000	1	103.6040	0.000	1	103.6040	0.000	1	102.9273	0.344	3	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5,5]	C[4,5]	N[5,5]	4:4:3:1:	4:4:3:1:	4:4:2:	C[4,5]-4:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[4,5]-4:N[4]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H)	C[4,5](C[5,5]N[5,5]C[5]H)(C[4,5]C[4]C[5]H)(N[4]C[6a]C[4])(H)	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[4,5]CH)(O[5]C[5,6])	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[4,5](C[5,5]N[5,5]C[5]H)(C[4,5]C[4]C[5]H)(N[4]C[6a]C[4])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[4,5]CH)(O[5]C[5,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	102.5890	0.041	2	102.5890	0.002	2	102.5890	0.002	2	102.5890	0.002	2	102.9273	0.344	3	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5,5]	N[5]	4:3:1:1:	4:4:4:2:	4:4:4:	C[4,5,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:S-4:	C[5](C[4,5,5]C[4,5]2O[5])(N[5]C[5]S)(H)2	C[4,5,5](C[4,5]C[4]C[5]H)(C[4,5]C[4]N[5]H)(C[5]N[5]HH)(O[5]C[5])	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(SC[6a]OO)	C[5](C[4,5,5]C[4,5]2O[5])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[4,5,5](C[4,5]C[4]C[5]H)(C[4,5]C[4]N[5]H)(C[5]N[5]HH)(O[5]C[5]){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	100.6360	0.000	1	100.6360	0.000	1	100.6360	0.000	1	100.6360	0.000	1	102.6630	8.217	2	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5,5]	N[5]	4:3:1:1:	4:4:4:4:	4:4:4:	C[4,5,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:C-4:	C[5](C[4,5,5]C[4,5]2C[5])(N[5]C[5]C)(H)2	C[4,5,5](C[4,5]C[4]C[5]F)2(C[5]N[5]HH)2	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(CC[6a]HH)	C[5](C[4,5,5]C[4,5]2C[5])(N[5]C[5]C)(H)2{1|N<3>,2|C<4>,2|F<1>,4|H<1>}	C[4,5,5](C[4,5]C[4]C[5]F)2(C[5]N[5]HH)2{1|C<3>,1|C<4>,6|H<1>}	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(CC[6a]HH){1|F<1>,3|C<4>}	104.6900	0.000	1	104.6900	0.000	1	104.6900	0.000	1	104.6900	0.000	1	102.6630	8.217	2	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5,5]	4:3:4:1:	4:4:3:1:	4:4:2:	C[4,5]-4:N[5,5]-3:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5](C[4,5]C[4,5]C[4]H)(N[5,5]C[5,5]O[5])(CSeHH)(H)	C[4,5](C[4,5]C[5,5]N[4]H)(C[5]N[5,5]CH)(C[4]N[4]O)(H)	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[4,5]CH)(O[5]C[5,6])	C[5](C[4,5]C[4,5]C[4]H)(N[5,5]C[5,5]O[5])(CSeHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[5,5]N[4]H)(C[5]N[5,5]CH)(C[4]N[4]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[4,5]CH)(O[5]C[5,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	101.4970	0.076	2	101.4970	0.006	2	101.4970	0.006	2	101.4970	0.006	2	101.4970	0.006	2	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5]	4:3:1:1:	4:4:3:1:	4:4:4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(H)2	C[4,5](C[4,5]C[5]O[4]C)(C[5]N[5]HH)(C[4]O[4]O)(H)	N[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(CC[6a]HH)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[5]N[5]HH)(C[4]O[4]O)(H){1|C<3>,2|C<4>}	N[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	102.7700	0.000	1	102.7700	0.000	1	102.7700	0.000	1	102.6900	0.075	5	103.2995	0.616	20	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5]	4:3:1:1:	4:4:3:1:	4:4:4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]HH)(C[4]C[4]C)(H)	N[5](C[5]C[4,5]HH)2(SC[6a]OO)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]HH)(C[4]C[4]C)(H){1|C<3>,1|S<4>,3|H<1>}	N[5](C[5]C[4,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	102.7257	0.357	3	102.6700	0.097	4	102.6700	0.097	4	102.6900	0.075	5	103.2995	0.616	20	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5]	4:3:1:1:	4:4:3:1:	4:4:4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]HH)(C[4]C[4]C)(H)	N[5](C[5]C[4,5]HH)2(SC[6a]OO)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]HH)(C[4]C[4]C)(H){1|C<4>,1|S<4>,3|H<1>}	N[5](C[5]C[4,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	102.5030	0.000	1	102.6700	0.097	4	102.6700	0.097	4	102.6900	0.075	5	103.2995	0.616	20	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:F-1:	C[5]-4:C[5]-4:C-4:	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2	C[4,5](C[4,5,5]C[4,5]C[5]2)(C[4]C[4,5]HH)(C[5]N[5]HH)(F)	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(CC[6a]HH)	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5,5]C[4,5]C[5]2)(C[4]C[4,5]HH)(C[5]N[5]HH)(F){1|F<1>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(CC[6a]HH){1|F<1>,3|C<4>}	102.8620	0.000	1	102.8620	0.000	1	102.8620	0.000	1	103.7167	0.693	10	103.2995	0.616	20	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[4,5]C[4,5,5]C[4]H)(N[5]C[5]S)(H)2	C[4,5](C[4,5,5]C[4,5]C[5]O[5])(C[4]C[4,5]CC)(C[5]N[5]HH)(H)	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(SC[6a]OO)	C[5](C[4,5]C[4,5,5]C[4]H)(N[5]C[5]S)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[4,5](C[4,5,5]C[4,5]C[5]O[5])(C[4]C[4,5]CC)(C[5]N[5]HH)(H){1|C<3>,1|N<2>,1|S<4>,3|H<1>}	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	103.1710	0.000	1	103.1710	0.000	1	103.1710	0.000	1	103.7167	0.693	10	103.2995	0.616	20	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]N[5]HH)(H)	N[5](C[5]C[4,5]HH)2(CC[6a]HH)	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]N[5]HH)(H){1|N<3>,2|C<4>,5|H<1>}	N[5](C[5]C[4,5]HH)2(CC[6a]HH){2|C<4>,2|H<1>}	103.9560	0.027	2	104.3735	0.409	4	104.3735	0.409	4	103.7167	0.693	10	103.2995	0.616	20	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]N[5]HH)(H)	N[5](C[5]C[4,5]HH)2(CC[6a]HH)	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]N[5]HH)(H){1|S<4>,2|C<4>,5|H<1>}	N[5](C[5]C[4,5]HH)2(CC[6a]HH){2|C<4>,2|H<1>}	104.7910	0.728	2	104.3735	0.409	4	104.3735	0.409	4	103.7167	0.693	10	103.2995	0.616	20	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]N[5]HH)(H)	N[5](C[5]C[4,5]HH)2(SC[6a]OO)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,2|H<1>}	N[5](C[5]C[4,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	103.4460	0.000	1	103.5103	0.878	3	103.4100	0.626	4	103.7167	0.693	10	103.2995	0.616	20	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]N[5]HH)(H)	N[5](C[5]C[4,5]HH)2(SC[6a]OO)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,2|H<1>}	N[5](C[5]C[4,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	103.5425	1.323	2	103.5103	0.878	3	103.4100	0.626	4	103.7167	0.693	10	103.2995	0.616	20	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5]	4:3:1:1:	4:4:4:1:	4:4:4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[6a]C[4]H)(C[5]N[5]HH)(H)	N[5](C[5]C[4,5]HH)2(SC[6a]OO)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[6a]C[4]H)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	N[5](C[5]C[4,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	103.1090	0.000	1	103.1090	0.000	1	103.4100	0.626	4	103.7167	0.693	10	103.2995	0.616	20	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5]	4:3:3:1:	4:4:4:1:	4:3:2:	C[4,5]-4:N[5]-3:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[4,5](C[4,5]N[4]O[5]H)(C[5]C[6a]N[5]H)(C[4]N[4]HH)(H)	N[5](C[5]C[4,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[4,5])	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	C[4,5](C[4,5]N[4]O[5]H)(C[5]C[6a]N[5]H)(C[4]N[4]HH)(H){4|C<3>}	N[5](C[5]C[4,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[4,5]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	103.7920	0.000	1	103.7920	0.000	1	103.7920	0.000	1	103.7920	0.000	1	103.2995	0.616	20	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5]	4:3:3:1:	4:4:4:2:	4:4:4:	C[4,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[4]-4:C[4]-4:S[5]-2:	C[5]-4:C[5]-4:C-4:	C[5](C[4,5]C[4]2S[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[4,5](C[5]C[6a]N[5]H)(C[4]C[4]CC)2(S[5]C[5])	N[5](C[5]C[4,5]C[6a]H)(C[5]C[6a]S[5]H)(CH3)	C[5](C[4,5]C[4]2S[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){3|C<3>,3|H<1>,5|C<4>}	C[4,5](C[5]C[6a]N[5]H)(C[4]C[4]CC)2(S[5]C[5]){2|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[4,5]C[6a]H)(C[5]C[6a]S[5]H)(CH3){2|C<4>,4|C<3>}	103.1190	0.000	1	103.1190	0.000	1	103.1190	0.000	1	103.1190	0.000	1	103.2995	0.616	20	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5]	4:3:3:1:	4:4:4:4:	4:4:1:	C[4,5]-4:N[5]-3:C-3:H-1:	C[4]-4:C[4]-4:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:	C[5](C[4,5]C[4]2C[5])(N[5]C[5]H)(COO)(H)	C[4,5](C[4]N[4]HH)2(C[5]C[5]CH)(C[5]N[5]CH)	N[5](C[5]C[6a]C[5]H)(C[5]C[4,5]CH)(H)	C[5](C[4,5]C[4]2C[5])(N[5]C[5]H)(COO)(H){1|C<2>,1|C<3>,1|N<3>,6|H<1>}	C[4,5](C[4]N[4]HH)2(C[5]C[5]CH)(C[5]N[5]CH){2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[4,5]CH)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	103.1230	0.240	2	103.1230	0.058	2	103.1230	0.058	2	103.1230	0.058	2	103.2995	0.616	20	102.1486	4.674	34
474	478	542	5:SP3_SP3_SP3	C[5]	C[4,5]	N[5]	4:3:4:3:	4:4:2:4:	4:4:4:	C[4,5]-4:N[5]-3:C-4:C-3:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[5]-4:C[5]-4:C-4:	C[5](C[4,5]C[4,5]O[4]C)(N[5]C[5]C)(CHHO)(COO)	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]CC)(O[4]C[4])(CH3)	N[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(CC[6a]HH)	C[5](C[4,5]C[4,5]O[4]C)(N[5]C[5]C)(CHHO)(COO){1|C<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]CC)(O[4]C[4])(CH3){1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	102.2160	0.000	1	102.2160	0.000	1	102.2160	0.000	1	102.2160	0.000	1	103.2995	0.616	20	102.1486	4.674	34
474	478	622	0:SP3_SP3_SP3	C[5,6]	C[4]	O[6]	4:2:4:2:	4:4:4:2:	4:4:	C[5,6]-4:O[5]-2:C[4]-4:O[6]-2:	C[5,6]-4:C[4]-4:C[4]-4:O-2:	C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[4]C[4]2O)(O[6]C[6])	C[4](C[5,6]C[5,6]O[5]O[6])(C[4]C[4]HH)2(OH)	O[6](C[5,6]C[5,6]C[4]O[5])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[4]C[4]2O)(O[6]C[6]){2|C<3>,2|C<4>,8|H<1>}	C[4](C[5,6]C[5,6]O[5]O[6])(C[4]C[4]HH)2(OH){1|H<1>,2|C<4>,4|C<3>}	O[6](C[5,6]C[5,6]C[4]O[5])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	106.2170	0.000	1	106.2170	0.000	1	106.2170	0.000	1	106.2170	0.000	1	106.2170	0.000	1	106.2170	0.000	1
474	478	622	6:SP3_SP2_SP3	C[5,6]	C[4,5,6]	O[6]	4:2:4:4:	4:4:4:1:	4:3:	C[4,5,6]-4:O[6]-2:C[5]-4:C-4:	C[4,6]-4:C[4,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	C[4,5,6](C[4,6]C[6,6a]C[4]H)(C[4,5]C[4]C[5]H)(C[5,6]C[5]O[6]C)(H)	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[4,5,6](C[4,6]C[6,6a]C[4]H)(C[4,5]C[4]C[5]H)(C[5,6]C[5]O[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	O[6](C[5,6]C[4,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a]){2|C<3>,3|C<4>,4|H<1>}	112.6637	0.419	6	112.6637	0.176	6	112.6637	0.176	6	112.6637	0.176	6	112.6637	0.176	6	112.6637	0.176	6
474	478	622	6:SP3_SP3_SP3	C[5,6]	C[4,5,6]	O[6]	4:2:2:2:	4:4:4:3:	4:4:	C[4,5,6]-4:O[5]-2:O[6]-2:O-2:	C[4,5]-4:C[4,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[6]-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC)	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5,6]O[5]O[6]O)(COO)	O[6](C[5,6]C[4,5,6]O[5]O)(C[6]C[6]HH)	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC){1|C<3>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5,6]O[5]O[6]O)(COO){1|O<1>,2|H<1>,3|C<4>}	O[6](C[5,6]C[4,5,6]O[5]O)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>}	112.6300	0.099	2	112.6300	0.010	2	112.6300	0.010	2	112.6300	0.010	2	112.6300	0.010	2	112.6300	0.010	2
474	478	643	0:SP3_SP2_SP3	C[3x5,6]	C[4,5,5,6,6]	C[6a]	4:4:3:3:	4:4:4:3:	4:3:3:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:C[5,5]-3:C[6a]-3:	C[4,5,5,6,6]-4:C[3x5,6]-4:C[4,5,6]-4:C[6,6a]-3:	C[3x5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6,6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]O)(C[6a]C[6a]2)	C[4,5,5,6,6](C[4,5,5,6,6]C[3x5,6]C[4,5,6]C[6,6a])(C[3x5,6]C[5,5,6,6]C[5,5]C[6a])(C[4,5,6]C[4,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[3x5,6]C[4,5,5,6,6]C[5,5,6,6]C[5,5])(C[6a]C[6a]H)2	C[3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6,6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]O)(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[4,5,5,6,6](C[4,5,5,6,6]C[3x5,6]C[4,5,6]C[6,6a])(C[3x5,6]C[5,5,6,6]C[5,5]C[6a])(C[4,5,6]C[4,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|O<1>,3|H<1>,8|C<3>}	C[6a](C[3x5,6]C[4,5,5,6,6]C[5,5,6,6]C[5,5])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>,4|C<4>}	117.9670	1.021	2	117.9670	1.043	2	117.9670	1.043	2	117.9670	1.043	2	117.9670	1.043	2	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[6a]	4:3:2:3:	4:4:3:1:	4:3:3:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[4,5,6]-4:C[4,6]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6]H)(C[4,6]C[4,6]C[6])(H)	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6]H)(C[4,6]C[4,6]C[6])(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	118.2950	0.178	2	117.1640	1.694	6	117.1640	1.694	6	117.3977	1.853	10	117.3977	1.853	10	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[6a]	4:3:2:3:	4:4:3:1:	4:3:3:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[4,5,6]-4:C[4,6]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6]H)(C[4,6]C[4,6]C[6])(H)	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6]H)(C[4,6]C[4,6]C[6])(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	116.5985	1.239	4	117.1640	1.694	6	117.1640	1.694	6	117.3977	1.853	10	117.3977	1.853	10	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[6a]	4:3:2:3:	4:4:3:1:	4:3:3:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[4,5,6]-4:C[4,6a]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6a]H)(C[4,6a]C[4,6a]C[6a])(H)	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6a]H)(C[4,6a]C[4,6a]C[6a])(H){1|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	117.7482	1.569	4	117.7482	2.461	4	117.7482	2.461	4	117.3977	1.853	10	117.3977	1.853	10	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5,5]	C[4,5,5]	C[6a]	4:3:3:3:	4:4:4:3:	4:3:3:	C[4,5,5]-4:C[6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[4,5]-4:C[5]-4:C[4]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[4,5,5](C[5,5]C[6a]C[5]2)(C[4,5]C[4]C[5]C)(C[5]C[5]CC)(C[4]C[4]H)	C[6a](C[5,5]C[4,5,5]C[5]2)(C[6a]C[6a]H)2	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<2>,3|H<1>,5|C<3>}	C[4,5,5](C[5,5]C[6a]C[5]2)(C[4,5]C[4]C[5]C)(C[5]C[5]CC)(C[4]C[4]H){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5,5]C[4,5,5]C[5]2)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,3|H<1>,4|C<3>}	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	115.3650	0.000	1	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5,6,6]	C[4,5,6,6]	C[6a]	4:4:3:2:	4:4:2:1:	4:3:3:	C[4,5,6,6]-4:C[5,5,6,6]-4:C[6a]-3:O-2:	C[4,5,5,6]-4:C[5,6,6]-4:O[4,6]-2:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH)	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6a]O)(O[4,6]C[4,5,6,6])(H)	C[6a](C[5,6,6]C[4,5,6,6]C[5,5,6,6]O)(C[6a]C[6a]H)2	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6a]O)(O[4,6]C[4,5,6,6])(H){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5,6,6]C[4,5,6,6]C[5,5,6,6]O)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>,3|O<2>}	115.5830	0.000	1	115.5830	0.000	1	115.5830	0.000	1	115.5830	0.000	1	115.5830	0.000	1	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5,6]	C[4,5,6]	C[6a]	4:4:3:2:	4:4:4:1:	4:3:3:	C[5,5,6,6]-4:C[4,5,6]-4:C[6a]-3:O-2:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,5,6]H)(C[5,6]C[5,5,6,6]C[6a]O)(H)	C[6a](C[5,6]C[5,5,6,6]C[4,5,6]O)(C[6a]C[6a]H)2	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH){2|C<3>,4|C<4>,6|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,5,6]H)(C[5,6]C[5,5,6,6]C[6a]O)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6]C[5,5,6,6]C[4,5,6]O)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	111.8270	0.000	1	111.8270	0.000	1	111.8270	0.000	1	111.8270	0.000	1	111.8270	0.000	1	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5]	C[4,5]	C[6a]	4:3:2:1:	4:4:3:1:	4:3:3:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5,6]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[4,5](C[4,5,6]C[5,6]C[6]N[4])(C[5]C[6a]O[5]H)(C[4]N[4]O)(H)	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[4,5](C[4,5,6]C[5,6]C[6]N[4])(C[5]C[6a]O[5]H)(C[4]N[4]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	115.5390	0.000	1	115.5390	0.000	1	115.5390	0.000	1	115.5390	0.000	1	115.3465	3.961	11	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5]	C[4,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[6a]O[5]H)(C[4]C[4]HN)(H)	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[6a]O[5]H)(C[4]C[4]HN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	115.2120	0.000	1	115.2120	0.000	1	115.2500	0.003	2	115.2500	0.003	2	115.3465	3.961	11	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5]	C[4,5]	C[6a]	4:3:2:1:	4:4:4:1:	4:3:3:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[4,5](C[4,5]C[5]N[4]C)(C[5]C[6a]O[5]H)(C[4]N[4]HH)(H)	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[4,5](C[4,5]C[5]N[4]C)(C[5]C[6a]O[5]H)(C[4]N[4]HH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	115.2880	0.000	1	115.2880	0.000	1	115.2500	0.003	2	115.2500	0.003	2	115.3465	3.961	11	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5]	C[4,5]	C[6a]	4:3:2:2:	4:4:3:4:	4:3:3:	C[4,5]-4:C[6a]-3:S[5]-2:O-2:	C[4,5]-4:C[5]-4:C[4]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH)	C[4,5](C[4,5]C[6a]C[5]O[4])(C[5]C[6a]S[5]O)(C[4]O[4]O)(CH3)	C[6a](C[5]C[4,5]S[5]O)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[4,5](C[4,5]C[6a]C[5]O[4])(C[5]C[6a]S[5]O)(C[4]O[4]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[4,5]S[5]O)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	115.3465	3.961	11	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5]	C[4,5]	C[6a]	4:3:2:3:	4:4:4:3:	4:3:3:	C[4,5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[4]-4:C[5]-4:C[4]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[4,5](C[5]C[6a]O[5]C)(C[4]N[4]HH)(C[5]C[5]HH)(C[4]N[4]O)	C[6a](C[5]C[4,5]O[5]C)(C[6a]C[6a]H)2	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[4,5](C[5]C[6a]O[5]C)(C[4]N[4]HH)(C[5]C[5]HH)(C[4]N[4]O){5|C<3>}	C[6a](C[5]C[4,5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	114.7875	0.613	2	114.7875	0.376	2	114.7875	0.376	2	114.7875	0.376	2	115.3465	3.961	11	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5]	C[4,5]	C[6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[4,5]-4:N[5]-3:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[4,5](C[4,5]N[4]O[5]H)(C[5]C[6a]N[5]H)(C[4]N[4]HH)(H)	C[6a](C[5]C[4,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	C[4,5](C[4,5]N[4]O[5]H)(C[5]C[6a]N[5]H)(C[4]N[4]HH)(H){4|C<3>}	C[6a](C[5]C[4,5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.6150	0.000	1	114.6150	0.000	1	114.6150	0.000	1	114.6150	0.000	1	115.3465	3.961	11	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5]	C[4,5]	C[6a]	4:3:3:1:	4:4:4:2:	4:3:3:	C[4,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[4]-4:C[4]-4:S[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[4,5]C[4]2S[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[4,5](C[5]C[6a]N[5]H)(C[4]C[4]CC)2(S[5]C[5])	C[6a](C[5]C[4,5]N[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4]2S[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){3|C<3>,3|H<1>,5|C<4>}	C[4,5](C[5]C[6a]N[5]H)(C[4]C[4]CC)2(S[5]C[5]){2|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[4,5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	116.8890	0.000	1	116.8890	0.000	1	116.8890	0.000	1	116.8890	0.000	1	115.3465	3.961	11	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5]	C[4,5]	C[6a]	4:3:4:1:	4:4:3:1:	4:3:3:	C[4,5]-4:C[6a]-3:C[5]-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[4,5](C[4,5]C[5]O[4]C)(C[5]C[6a]C[5]H)(C[4]O[4]O)(H)	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[4,5](C[4,5]C[5]O[4]C)(C[5]C[6a]C[5]H)(C[4]O[4]O)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	111.5350	0.000	1	111.5350	0.000	1	111.5350	0.000	1	111.5350	0.000	1	115.3465	3.961	11	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5]	C[4,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[4,5](C[4,5]C[5]O[4]H)(C[5]C[6a]C[5]H)(C[4]O[4]O)(H)	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[4,5](C[4,5]C[5]O[4]H)(C[5]C[6a]C[5]H)(C[4]O[4]O)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	116.6840	0.000	1	116.6840	0.000	1	118.1005	4.013	2	118.1005	4.013	2	115.3465	3.961	11	116.2114	4.245	26
474	478	643	0:SP3_SP2_SP3	C[5]	C[4,5]	C[6a]	4:4:3:1:	4:4:3:1:	4:3:3:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[4,5](C[4,5]C[6a]C[5]O[4])(C[5]C[6a]C[5]H)(C[4]O[4]O)(H)	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[4,5](C[4,5]C[6a]C[5]O[4])(C[5]C[6a]C[5]H)(C[4]O[4]O)(H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[4,5]C[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	119.5170	0.000	1	119.5170	0.000	1	118.1005	4.013	2	118.1005	4.013	2	115.3465	3.961	11	116.2114	4.245	26
474	478	727	0:SP3_SP2_SP3	C[5,6]	C[4,6]	C[5,6a]	3:4:3:4:	4:4:4:1:	4:3:3:	C[5,6a]-3:C[4,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3)	C[4,6](C[5,6]C[5,6a]C[5,6]C)(C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(H)	C[5,6a](C[5,6]C[4,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3){3|C<3>,3|C<4>,3|H<1>}	C[4,6](C[5,6]C[5,6a]C[5,6]C)(C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[4,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	119.4900	0.278	4	119.4900	0.077	4	119.4900	0.077	4	119.4900	0.077	4	119.4900	0.077	4	118.0224	10.827	5
474	478	727	0:SP3_SP2_SP3	C[5]	C[4]	C[5,6a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[4]-4:H-1:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H)	C[4](C[5]C[5,6a]N[5,5a]H)(C[4]C[4]HH)(C[4]C[4]HO)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[4]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,5|H<1>}	C[4](C[5]C[5,6a]N[5,5a]H)(C[4]C[4]HH)(C[4]C[4]HO)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[4]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	118.0224	10.827	5
474	478	727	5:SP3_SP2_SP3	C[5,5]	C[4,5,5]	C[5,6a]	4:3:3:1:	4:4:2:4:	4:3:3:	C[4,5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[4,5]-4:O[5]-2:C[4]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[4,5,5]C[4,5]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[4,5,5](C[5,5]C[5,6a]C[5]H)(C[4,5]C[4]N[5]H)(O[5]C[5,6a])(C[4]C[4]HH)	C[5,6a](C[5,5]C[4,5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[4,5,5]C[4,5]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[4,5,5](C[5,5]C[5,6a]C[5]H)(C[4,5]C[4]N[5]H)(O[5]C[5,6a])(C[4]C[4]HH){1|C<3>,1|N<2>,1|O<1>,3|H<1>}	C[5,6a](C[5,5]C[4,5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	101.7050	0.000	1	101.7050	0.000	1	101.7050	0.000	1	101.7050	0.000	1	101.7050	0.000	1	102.2657	4.411	11
474	478	727	5:SP3_SP2_SP3	C[5]	C[4,5,5]	C[5,6a]	4:3:1:1:	4:4:3:4:	3:4:3:	C[4,5,5]-4:C[5,6a]-3:H-1:H-1:	C[4,5,5]-4:C[4,5,5]-4:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]C[5])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[5]C[4,5,5]HH)(C[6a]C[6a]H)	C[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,3|C<4>,5|C<3>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]C[5])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,5|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[5]C[4,5,5]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	104.3285	0.036	2	104.3285	0.001	2	104.3285	0.001	2	104.3285	0.001	2	104.3285	0.001	2	102.2657	4.411	11
474	478	727	5:SP3_SP2_SP3	C[5]	C[4,5,6]	C[5,6a]	4:3:4:4:	3:4:3:4:	3:4:3:	C[4,5,6]-4:C[5,6a]-3:C-4:C-4:	C[4,6a]-3:C[4,6]-4:N[5,6]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H)	C[5](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{2|C<4>,2|H<1>,4|C<3>}	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	100.8516	2.788	4	100.8516	7.776	4	100.8516	7.776	4	100.8516	7.776	4	100.8516	7.776	4	102.2657	4.411	11
474	478	727	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5,6a]	3:4:1:1:	4:2:4:4:	3:3:4:	C[5,6a]-3:C[4,5]-4:H-1:H-1:	C[5]-4:O[5]-2:C[4]-4:C[4]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]2O[5])(H)2	C[4,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[4]C[4]HH)2	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[4,5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]2O[5])(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[4,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[4]C[4]HH)2{1|C<3>,1|N<2>,2|H<1>}	C[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]N[5a])(C[5]C[4,5]HH){1|H<1>,2|C<4>,3|C<3>}	102.0550	0.839	2	102.0550	0.703	2	102.0550	0.703	2	102.0550	0.703	2	102.7887	0.955	4	102.2657	4.411	11
474	478	727	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[4,5]-4:C[5,6a]-3:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[4,5](C[4,5]C[5,6a]C[4,6]H)(C[4,6]C[4,6]2F)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[5,6a]C[4,6]H)(C[4,6]C[4,6]2F)(C[5]C[5,6a]HH)(H){2|C<4>,2|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	103.5830	0.000	1	103.5830	0.000	1	103.5225	0.007	2	103.5225	0.007	2	102.7887	0.955	4	102.2657	4.411	11
474	478	727	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5,6a]	4:3:1:1:	4:4:4:1:	3:4:3:	C[4,5]-4:C[5,6a]-3:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[4,5](C[4,5]C[5,6a]C[4,6]H)(C[4,6]C[6,6a]C[4,6]F)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,6]H)(C[4,6]C[6,6a]C[4,6]F)(C[5]C[5,6a]HH)(H){1|C<4>,1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	103.4620	0.000	1	103.4620	0.000	1	103.5225	0.007	2	103.5225	0.007	2	102.7887	0.955	4	102.2657	4.411	11
474	478	727	6:SP3_SP2_SP3	C[5,4x6]	C[4,4x6]	C[5,6,6a]	4:3:4:4:	4:4:4:2:	4:3:3:	C[4,4x6]-4:C[5,6,6a]-3:C[5,6,6]-4:C[6]-4:	C[5,4x6]-4:C[4,6]-4:C[6,6]-4:O[4,6]-2:	C[5,4x6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,4x6](C[4,4x6]C[4,6]C[6,6]O[4,6])(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[6,6]O[5]H)(C[6]C[6]HH)	C[4,4x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[4,6]C[4,6,6]HH)(C[6,6]C[6]N[6]H)(O[4,6]C[4,6,6])	C[5,6,6a](C[5,4x6]C[4,4x6]C[5,6,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[5,4x6](C[4,4x6]C[4,6]C[6,6]O[4,6])(C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[6,6]O[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[4,4x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[4,6]C[4,6,6]HH)(C[6,6]C[6]N[6]H)(O[4,6]C[4,6,6]){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6,6a](C[5,4x6]C[4,4x6]C[5,6,6]C[6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	102.6780	0.000	1	102.6780	0.000	1	102.6780	0.000	1	102.6780	0.000	1	102.6780	0.000	1	105.1705	1.817	19
474	478	727	6:SP3_SP2_SP3	C[5,5,6,6]	C[4,5,6,6]	C[5,6,6a]	4:3:2:3:	4:4:3:3:	4:3:3:	C[4,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6]-3:	C[5,5,6,6]-4:C[4,5,6]-4:C[4,6a]-3:C[6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H)	C[4,5,6,6](C[5,5,6,6]C[5,6,6a]O[5,5]C[6])(C[4,5,6]C[5,5,6]C[4,6a]H)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]H)	C[5,6,6a](C[5,5,6,6]C[4,5,6,6]O[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H){5|C<3>,5|H<1>}	C[4,5,6,6](C[5,5,6,6]C[5,6,6a]O[5,5]C[6])(C[4,5,6]C[5,5,6]C[4,6a]H)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]H){4|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6,6]C[4,5,6,6]O[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	105.1705	1.817	19
474	478	727	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6,6a]	3:4:3:1:	4:4:2:1:	4:3:3:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[4,5,6]-4:O[4]-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[4,5,6]C[4,5,6]O[4]H)(C[5,5]C[5,5,6]C)(H)	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4,5]H)(O[4]C[4,5])(H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[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[4,5,6]C[4,5,6]O[4]H)(C[5,5]C[5,5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4,5]H)(O[4]C[4,5])(H){1|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(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>}	105.1580	0.000	1	105.1580	0.000	1	105.1580	0.000	1	105.1580	0.000	1	105.1754	1.293	17	105.1705	1.817	19
474	478	727	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6,6a]	3:4:3:4:	4:4:4:3:	3:4:3:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:C-4:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]C)(C[4,5,6]C[4,5,6]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,5]C)(COO)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[4,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>,4|C<3>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]C)(C[4,5,6]C[4,5,6]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,5]C)(COO){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[4,5,6]C[5,5]C)(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	106.6225	1.770	2	106.6225	3.133	2	106.6225	3.133	2	106.6225	3.133	2	105.1754	1.293	17	105.1705	1.817	19
474	478	727	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[4]-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[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H)	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[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[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H){3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	104.5850	0.000	1	104.1655	0.352	2	104.1655	0.352	2	104.1655	0.352	2	105.1754	1.293	17	105.1705	1.817	19
474	478	727	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6,6a]	3:4:4:1:	4:4:3:1:	4:3:3:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[4]-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[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H)	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[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[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	103.7460	0.000	1	104.1655	0.352	2	104.1655	0.352	2	104.1655	0.352	2	105.1754	1.293	17	105.1705	1.817	19
474	478	727	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6,6a]	4:3:2:1:	4:4:3:1:	3:4:3:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[4,5,6,6]-4:C[5,5,6]-4:C[4,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[4,5,6]C[4,5,6,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6,6])(H)	C[4,5,6](C[4,5,6,6]C[5,5,6,6]C[4,6a]C[6])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[4,6a]C[4,6a]C[6a])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[4,5,6]O[5,5]H)(C[6a]C[6a]H)	C[5,5,6](C[4,5,6]C[4,5,6,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6,6])(H){1|H<1>,6|C<3>}	C[4,5,6](C[4,5,6,6]C[5,5,6,6]C[4,6a]C[6])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[4,6a]C[4,6a]C[6a])(H){2|H<1>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[4,5,6]O[5,5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	105.6950	0.000	1	105.6950	0.000	1	105.6950	0.000	1	105.6950	0.000	1	105.1754	1.293	17	105.1705	1.817	19
474	478	727	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6,6a]	4:3:2:3:	4:4:3:1:	4:3:3:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[4,5,6]-4:C[4,6]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6]H)(C[4,6]C[4,6]C[6])(H)	C[5,6,6a](C[5,5,6]C[4,5,6]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[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6]H)(C[4,6]C[4,6]C[6])(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6]C[4,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	105.2100	0.441	2	105.3547	0.237	6	105.3547	0.237	6	105.2929	0.451	10	105.1754	1.293	17	105.1705	1.817	19
474	478	727	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6,6a]	4:3:2:3:	4:4:3:1:	4:3:3:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[4,5,6]-4:C[4,6]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6]H)(C[4,6]C[4,6]C[6])(H)	C[5,6,6a](C[5,5,6]C[4,5,6]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[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6]H)(C[4,6]C[4,6]C[6])(H){2|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[4,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	105.4270	0.556	4	105.3547	0.237	6	105.3547	0.237	6	105.2929	0.451	10	105.1754	1.293	17	105.1705	1.817	19
474	478	727	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6,6a]	4:3:2:3:	4:4:3:1:	4:3:3:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[4,5,6]-4:C[4,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6a]H)(C[4,6a]C[4,6a]C[6a])(H)	C[5,6,6a](C[5,5,6]C[4,5,6]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[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6a]H)(C[4,6a]C[4,6a]C[6a])(H){1|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6]C[4,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	105.2002	0.969	4	105.2002	0.938	4	105.2002	0.938	4	105.2929	0.451	10	105.1754	1.293	17	105.1705	1.817	19
474	478	727	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6,6a]	4:3:3:1:	4:4:4:1:	4:3:3:	C[4,5,6]-4:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[4,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]C)(H)	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]O[4]H)(C[4,5]C[5,6a]C[5]O[4])(H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]O[4]H)(C[4,5]C[5,6a]C[5]O[4])(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[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>}	102.6240	0.000	1	102.6240	0.000	1	102.6240	0.000	1	102.6240	0.000	1	105.1754	1.293	17	105.1705	1.817	19
474	478	762	0:SP3_SP2_SP3	C[5,6]	C[4,5]	C[6]	4:4:3:3:	4:4:4:3:	4:3:1:	C[4,5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[4]-4:C[5]-4:C[4]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	C[4,5](C[5,6]C[5]C[6]2)(C[4]C[4]CC)(C[5]O[5]HH)(C[4]C[4]C)	C[6](C[5,6]C[4,5]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,3|H<1>,4|C<4>}	C[4,5](C[5,6]C[5]C[6]2)(C[4]C[4]CC)(C[5]O[5]HH)(C[4]C[4]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[4,5]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	109.6840	0.000	1	109.6840	0.000	1	109.6840	0.000	1	111.4550	6.273	2	111.4550	6.273	2	111.4550	6.273	2
474	478	762	0:SP3_SP2_SP3	C[5,6]	C[4,5]	C[6]	4:4:3:3:	4:4:4:3:	4:3:1:	C[4,5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[4]-4:C[5]-4:C[4]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	C[4,5](C[5,6]C[5]C[6]2)(C[4]C[4]CC)(C[5]O[5]HH)(C[4]C[4]C)	C[6](C[5,6]C[4,5]C[5]C[6])(N[6]C[6]C)(O)	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,3|H<1>,4|C<4>}	C[4,5](C[5,6]C[5]C[6]2)(C[4]C[4]CC)(C[5]O[5]HH)(C[4]C[4]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[4,5]C[5]C[6])(N[6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	113.2260	0.000	1	113.2260	0.000	1	113.2260	0.000	1	111.4550	6.273	2	111.4550	6.273	2	111.4550	6.273	2
474	478	762	6:SP3_SP2_SP3	C[5,3x6]	C[4,5,6,6]	C[6,6]	4:4:3:2:	4:4:4:1:	4:3:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	C[4,5,5,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]C[6,6]O)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]C[6,6]O)(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O){1|O<2>,2|H<1>,4|C<4>}	109.8200	0.000	1	110.1830	0.264	2	110.1830	0.264	2	110.1830	0.264	2	110.1830	0.264	2	110.6310	0.734	3
474	478	762	6:SP3_SP2_SP3	C[5,3x6]	C[4,5,6,6]	C[6,6]	4:4:3:2:	4:4:4:1:	4:3:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	C[4,5,5,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]C[6,6]O)(H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]C[6,6]O)(H){1|O<1>,2|N<3>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O){1|N<3>,2|H<1>,4|C<4>}	110.5460	0.000	1	110.1830	0.264	2	110.1830	0.264	2	110.1830	0.264	2	110.1830	0.264	2	110.6310	0.734	3
474	478	762	6:SP3_SP2_SP3	C[5,5,6,6]	C[4,5,6,6]	C[6]	4:3:2:3:	4:4:3:3:	4:3:1:	C[4,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6]-3:	C[5,5,6,6]-4:C[4,5,6]-4:C[4,6a]-3:C[6]-3:	C[5,5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H)	C[4,5,6,6](C[5,5,6,6]C[5,6,6a]O[5,5]C[6])(C[4,5,6]C[5,5,6]C[4,6a]H)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]H)	C[6](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]O[5,5])(C[6]C[6]H)(H)	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H){5|C<3>,5|H<1>}	C[4,5,6,6](C[5,5,6,6]C[5,6,6a]O[5,5]C[6])(C[4,5,6]C[5,5,6]C[4,6a]H)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]H){4|H<1>,5|C<3>}	C[6](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]O[5,5])(C[6]C[6]H)(H){1|H<1>,2|C<4>,4|C<3>}	111.5270	0.000	1	111.5270	0.000	1	111.5270	0.000	1	111.5270	0.000	1	111.5270	0.000	1	110.6310	0.734	3
474	478	790	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5,6,6]	Cl	4:4:2:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[4,5,5,6,6]-4:O-2:Cl-1:	C[4,4,5,3x6]-4:C[4,4,5,3x6]-4:C[5,5]-4:Br-1:	C[5,5]-4:	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl)	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]ClO)(Br)	Cl(C[5,5]C[4,5,5,6,6]2O)	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl){2|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]ClO)(Br){1|C<4>,4|H<1>}	Cl(C[5,5]C[4,5,5,6,6]2O)	109.2095	0.185	2	109.2095	0.034	2	109.2095	0.034	2	109.8653	0.626	4	109.8653	0.626	4	112.6903	6.101	11
474	478	790	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5,6,6]	Cl	4:4:2:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[4,5,5,6,6]-4:O-2:Cl-1:	C[4,4,5,3x6]-4:C[4,4,5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl)	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]ClO)(H)	Cl(C[5,5]C[4,5,5,6,6]2O)	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl){2|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]ClO)(H){1|Br<1>,1|C<4>,3|H<1>}	Cl(C[5,5]C[4,5,5,6,6]2O)	110.5210	0.354	2	110.5210	0.125	2	110.5210	0.125	2	109.8653	0.626	4	109.8653	0.626	4	112.6903	6.101	11
474	478	790	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,5,3x6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[4,5,3x6]-4:C[5,5,6,6]-4:Cl-1:H-1:	C[4,5,5,6]-4:C[4,6,6]-4:C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,5]H)(Cl)(H)	C[4,5,3x6](C[4,5,5,6]C[4,5,6,6]C[5,5]H)(C[4,6,6]C[4,5,6,6]C[6]H)(C[5,6,6]C[5,5,6,6]ClH)(C[6]C[6]HH)	Cl(C[5,6,6]C[4,5,3x6]C[5,5,6,6]H)	C[5,6,6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,5]H)(Cl)(H){1|O<2>,3|C<4>,7|H<1>}	C[4,5,3x6](C[4,5,5,6]C[4,5,6,6]C[5,5]H)(C[4,6,6]C[4,5,6,6]C[6]H)(C[5,6,6]C[5,5,6,6]ClH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	Cl(C[5,6,6]C[4,5,3x6]C[5,5,6,6]H)	114.9237	0.490	3	114.9237	0.240	3	114.9237	0.240	3	114.9237	0.240	3	114.9237	0.240	3	112.6903	6.101	11
474	478	790	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[4,6,6]-4:C[4,5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Cl)(H)	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5,6]C[5,6]ClH)(CH3)	Cl(C[5,6]C[4,5,6]C[5,6]H)	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Cl)(H){1|H<1>,2|C<3>,3|C<4>}	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5,6]C[5,6]ClH)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	Cl(C[5,6]C[4,5,6]C[5,6]H)	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	112.6903	6.101	11
474	478	790	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H)	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH)	Cl(C[5]C[4,5,6]C[5,6]H)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	Cl(C[5]C[4,5,6]C[5,6]H)	114.2940	0.000	1	114.5643	0.088	3	114.5643	0.088	3	114.5643	0.088	3	114.5643	0.088	3	112.6903	6.101	11
474	478	790	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	Cl	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H)	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH)	Cl(C[5]C[4,5,6]C[5,6]H)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H){1|O<2>,4|C<4>,7|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH){1|O<2>,3|C<4>,7|H<1>}	Cl(C[5]C[4,5,6]C[5,6]H)	114.6995	0.260	2	114.5643	0.088	3	114.5643	0.088	3	114.5643	0.088	3	114.5643	0.088	3	112.6903	6.101	11
474	478	813	0:SP3_SP2_SP3	C[5]	C[4,5]	N[5a]	3:4:2:1:	4:4:3:1:	3:4:3:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<4>,3|C<3>}	113.2680	0.000	1	113.2680	0.000	1	113.2680	0.000	1	113.2680	0.000	1	113.6970	0.138	3	113.1748	1.183	4
474	478	813	0:SP3_SP2_SP3	C[5]	C[4,5]	N[5a]	3:4:2:1:	4:4:4:1:	3:4:3:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-4:F-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]HH)(F)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]HH)(F){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	113.9060	0.000	1	113.9060	0.000	1	113.9060	0.000	1	113.9115	0.000	2	113.6970	0.138	3	113.1748	1.183	4
474	478	813	0:SP3_SP2_SP3	C[5]	C[4,5]	N[5a]	3:4:2:1:	4:4:4:1:	3:4:3:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]HH)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<3>,3|C<4>}	113.9170	0.000	1	113.9170	0.000	1	113.9170	0.000	1	113.9115	0.000	2	113.6970	0.138	3	113.1748	1.183	4
474	478	813	0:SP3_SP2_SP3	C[5]	C[4]	N[5,5a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[4]-4:H-1:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H)	C[4](C[5]C[5,6a]N[5,5a]H)(C[4]C[4]HH)(C[4]C[4]HO)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,5|H<1>}	C[4](C[5]C[5,6a]N[5,5a]H)(C[4]C[4]HH)(C[4]C[4]HO)(H){2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	113.1748	1.183	4
474	478	818	0:SP3_SP2_SP3	C[5,6,6]	C[4,6,6]	C[5]	4:4:3:1:	4:4:4:1:	4:4:1:	C[5,6,6]-4:C[4,6,6]-4:C[5]-3:Br-1:	C[4,5,6]-4:C[4,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4,6,6]C[4,5,6]2H)(C[5]C[5]O)(Br)	C[4,6,6](C[4,5,6]C[4,5,5]C[5]N[6])(C[4,5,6]C[4,5,5]C[5,6]C)(C[5,6,6]C[5,6,6]C[5]Br)(H)	C[5](C[5,6,6]C[4,6,6]C[5,6,6]Br)(C[5]C[5]HH)(O)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4,6,6]C[4,5,6]2H)(C[5]C[5]O)(Br){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[4,6,6](C[4,5,6]C[4,5,5]C[5]N[6])(C[4,5,6]C[4,5,5]C[5,6]C)(C[5,6,6]C[5,6,6]C[5]Br)(H){1|Br<1>,1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[4,6,6]C[5,6,6]Br)(C[5]C[5]HH)(O){1|C<3>,2|H<1>,4|C<4>}	122.1300	0.000	1	122.1300	0.000	1	122.1300	0.000	1	122.1300	0.000	1	114.1667	48.355	3	113.2875	19.564	12
474	478	818	0:SP3_SP2_SP3	C[5,6,6]	C[4,6,6]	C[5]	4:4:3:2:	4:4:4:1:	4:3:1:	C[4,6,6]-4:C[6,6]-4:C[5]-3:O[5]-2:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(C[5]C[5]O)(O[5]C[5])	C[4,6,6](C[5,6,6]C[6,6]C[5]O[5])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5]H)(O)	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(C[5]C[5]O)(O[5]C[5]){4|C<4>,5|H<1>}	C[4,6,6](C[5,6,6]C[6,6]C[5]O[5])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6,6]C[4,6,6]C[6,6]O[5])(C[5]C[5]H)(O){1|O<2>,2|H<1>,4|C<4>}	110.1850	1.260	2	110.1850	1.588	2	110.1850	1.588	2	110.1850	1.588	2	114.1667	48.355	3	113.2875	19.564	12
474	478	818	0:SP3_SP2_SP3	C[5,6]	C[4,4,6]	C[5]	4:4:3:1:	4:4:4:4:	4:2:1:	C[4,4,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[4,6]-4:C[4,4]-4:C[4]-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[4,4,6]C[4,4]C[4,6]C[4])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[4,4,6](C[5,6]C[5,5,6]C[5]H)(C[4,6]C[4]C[6]H)(C[4,4]C[4]2C)(C[4]C[4]HH)	C[5](C[5,6]C[4,4,6]C[5,5,6]H)(O[5]C[5,5])(O)	C[5,6](C[4,4,6]C[4,4]C[4,6]C[4])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,5|C<4>,5|H<1>}	C[4,4,6](C[5,6]C[5,5,6]C[5]H)(C[4,6]C[4]C[6]H)(C[4,4]C[4]2C)(C[4]C[4]HH){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[4,4,6]C[5,5,6]H)(O[5]C[5,5])(O){2|H<1>,5|C<4>}	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	113.2875	19.564	12
474	478	818	0:SP3_SP2_SP3	C[5,6]	C[4,5,6,6]	C[5]	4:4:3:1:	4:4:4:2:	4:3:1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,6]-4:O[5,6]-2:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,6]C[5]H)(O[5,6]C[5,3x6])	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H)	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,6]C[5]H)(O[5,6]C[5,3x6]){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	108.6863	0.707	3	108.6863	0.500	3	108.6863	0.500	3	108.6863	0.500	3	109.1675	1.259	4	113.2875	19.564	12
474	478	818	0:SP3_SP2_SP3	C[5,6]	C[4,5,6,6]	C[5]	4:4:3:1:	4:4:4:4:	4:3:1:	C[4,5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6,6]O[5]2)(C[5,6]C[5,6]C[5]H)	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H)	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6,6]O[5]2)(C[5,6]C[5,6]C[5]H){1|C<3>,1|O<1>,7|C<4>,7|H<1>}	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H){2|C<3>,3|H<1>,4|C<4>}	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	109.1675	1.259	4	113.2875	19.564	12
474	478	818	0:SP3_SP2_SP3	C[5,6]	C[4,5,6]	C[5]	4:4:3:1:	4:4:4:4:	4:2:1:	C[4,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[4,5]-4:C[4,6]-4:C[5]-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[4,5,6]C[4,5]C[4,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[4,5,6](C[5,6]C[5,5,6]C[5]H)(C[4,5]C[4]C[5]O)(C[4,6]C[4]C[6]H)(C[5]C[5]HH)	C[5](C[5,6]C[4,5,6]C[5,5,6]H)(O[5]C[5,5])(O)	C[5,6](C[4,5,6]C[4,5]C[4,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[4,5,6](C[5,6]C[5,5,6]C[5]H)(C[4,5]C[4]C[5]O)(C[4,6]C[4]C[6]H)(C[5]C[5]HH){1|O<2>,2|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[4,5,6]C[5,5,6]H)(O[5]C[5,5])(O){2|H<1>,5|C<4>}	116.9070	0.150	2	116.9070	0.022	2	116.9070	0.022	2	116.9070	0.022	2	116.9070	0.022	2	113.2875	19.564	12
474	478	818	0:SP3_SP2_SP3	C[5,6]	C[4,6]	C[5]	4:4:3:1:	4:3:3:4:	4:3:1:	C[4,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[4,6]-3:N[4]-3:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[4,6]C[4,6]N[4]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[4,6](C[5,6]C[5,6]C[5]H)(C[4,6]C[4]C[6])(N[4]C[4]C)(CCHO)	C[5](C[5,6]C[4,6]C[5,6]H)(N[5]C[5]C)(O)	C[5,6](C[4,6]C[4,6]N[4]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[5,6]C[5,6]C[5]H)(C[4,6]C[4]C[6])(N[4]C[4]C)(CCHO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[4,6]C[5,6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	114.4240	0.000	1	114.4240	0.000	1	114.4240	0.000	1	114.4240	0.000	1	114.4240	0.000	1	113.2875	19.564	12
474	478	818	0:SP3_SP2_SP3	C[5]	C[4]	C[5]	4:4:3:1:	4:4:3:1:	4:3:1:	C[4]-4:C[5]-4:C[5]-3:H-1:	C[4]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[4]C[4]N[4]H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[4](C[4]C[4]HH)(C[5]C[5]2H)(N[4]C[4]H)(H)	C[5](C[5]C[4]C[5]H)(C[5]C[5]H)(H)	C[5](C[4]C[4]N[4]H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,5|H<1>}	C[4](C[4]C[4]HH)(C[5]C[5]2H)(N[4]C[4]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[4]C[5]H)(C[5]C[5]H)(H){1|C<4>,2|N<3>,4|H<1>}	115.0100	0.000	1	115.0100	0.000	1	115.0100	0.000	1	115.0100	0.000	1	115.0100	0.000	1	113.2875	19.564	12
474	478	818	5:SP3_SP2_SP3	C[3x5,3x6]	C[4,5,5,3x6]	C[5,5]	4:4:3:1:	4:4:4:1:	4:4:3:	C[4,5,5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[4,4,5,6,6]-4:C[4,5,5,6]-4:C[3x5,3x6]-4:H-1:	C[4,5,5,6]-4:C[3x5,3x6]-4:C-3:	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]H)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]C)(H)	C[4,5,5,3x6](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,6]H)(C[4,5,5,6]C[4,4,5,6,6]C[5,5]H)(C[3x5,3x6]C[3x5,3x6]C[5,5]H)(H)	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,5,3x6]H)(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]H)(CBr2)	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]H)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]C)(H){1|C<3>,1|C<4>,4|H<1>}	C[4,5,5,3x6](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,6]H)(C[4,5,5,6]C[4,4,5,6,6]C[5,5]H)(C[3x5,3x6]C[3x5,3x6]C[5,5]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,5,3x6]H)(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]H)(CBr2){1|C<3>,2|C<4>,4|H<1>}	103.1670	0.000	1	103.1670	0.000	1	103.1670	0.000	1	103.1670	0.000	1	103.1815	0.000	2	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[3x5,3x6]	C[4,5,5,3x6]	C[5,5]	4:4:3:1:	4:4:4:4:	4:4:1:	C[4,5,5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[4,4,5,6,6]-4:C[4,5,5,6]-4:C[3x5,3x6]-4:C-4:	C[4,5,5,6]-4:C[3x5,3x6]-4:O-1:	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]C)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]O)(H)	C[4,5,5,3x6](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,6]C[5])(C[4,5,5,6]C[4,4,5,6,6]C[5,5]C)(C[3x5,3x6]C[3x5,3x6]C[5,5]H)(CCCH)	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,5,3x6]C)(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]H)(O)	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]C)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]O)(H){1|O<1>,5|C<4>}	C[4,5,5,3x6](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,6]C[5])(C[4,5,5,6]C[4,4,5,6,6]C[5,5]C)(C[3x5,3x6]C[3x5,3x6]C[5,5]H)(CCCH){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,5,3x6]C)(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]H)(O){1|C<3>,1|H<1>,5|C<4>}	103.1960	0.000	1	103.1960	0.000	1	103.1960	0.000	1	103.1960	0.000	1	103.1815	0.000	2	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[3x5,6,6]	C[4,3x5,6]	C[5,6]	4:4:3:1:	4:4:4:4:	4:3:4:	C[3x5,6,6]-4:C[4,3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[4,5,5,6]-4:C-4:	C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6,6](C[3x5,6,6]C[4,3x5,6]C[5,6]H)(C[4,3x5,6]C[4,5,5,6]2C)(C[5,6]C[5,6]C)(H)	C[4,3x5,6](C[3x5,6,6]C[3x5,6,6]C[5,6]H)(C[4,5,5,6]C[4,3x5,6]C[5,6]H)2(CC3)	C[5,6](C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[5,6]C[4,5,5,6]C)(CC3)	C[3x5,6,6](C[3x5,6,6]C[4,3x5,6]C[5,6]H)(C[4,3x5,6]C[4,5,5,6]2C)(C[5,6]C[5,6]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[4,3x5,6](C[3x5,6,6]C[3x5,6,6]C[5,6]H)(C[4,5,5,6]C[4,3x5,6]C[5,6]H)2(CC3){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[5,6]C[4,5,5,6]C)(CC3){1|C<3>,2|H<1>,3|C<4>}	105.5490	0.817	2	105.5490	0.668	2	105.5490	0.668	2	105.5490	0.668	2	105.5490	0.668	2	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[3x5,6]	C[4,3x5]	C[5,6]	4:4:3:4:	4:4:3:4:	4:3:4:	C[4,3x5]-4:P[5,5,6]-4:C[5,6]-3:C-4:	C[4,5,5,6]-4:C[3x5,6]-4:P[4,5]-3:C-4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(P[5,5,6]P[4,5,5,6]HW)(C[5,6]C[5,6]C)(CH3)	C[4,3x5](C[4,5,5,6]P[4,5,5,6]C[5,6]C)(C[3x5,6]P[5,5,6]C[5,6]C)(P[4,5]P[4,5,5,6]H)(CH3)	C[5,6](C[3x5,6]C[4,3x5]P[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3)	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(P[5,5,6]P[4,5,5,6]HW)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|W<6>,2|C<4>}	C[4,3x5](C[4,5,5,6]P[4,5,5,6]C[5,6]C)(C[3x5,6]P[5,5,6]C[5,6]C)(P[4,5]P[4,5,5,6]H)(CH3){1|H<1>,2|C<4>,2|W<6>}	C[5,6](C[3x5,6]C[4,3x5]P[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3){1|H<1>,1|P<3>,1|P<4>,1|W<6>,2|C<4>}	101.4240	0.000	1	101.4240	0.000	1	101.4240	0.000	1	101.4240	0.000	1	101.1200	0.185	2	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[3x5,6]	C[4,3x5]	C[5,6]	4:4:3:4:	4:4:4:4:	4:3:4:	C[4,3x5]-4:C[5,5,6]-4:C[5,6]-3:C-4:	C[4,5,5,6]-4:C[3x5,6]-4:P[4,5]-4:C-4:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(C[5,5,6]C[4,5,5,6]CH)(C[5,6]C[5,6]C)(CH3)	C[4,3x5](C[4,5,5,6]C[4,5,5,6]C[5,6]C)(C[3x5,6]C[5,5,6]C[5,6]C)(P[4,5]C[4,5,5,6]OW)(CH3)	C[5,6](C[3x5,6]C[4,3x5]C[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3)	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(C[5,5,6]C[4,5,5,6]CH)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<2>,1|W<6>,2|C<4>}	C[4,3x5](C[4,5,5,6]C[4,5,5,6]C[5,6]C)(C[3x5,6]C[5,5,6]C[5,6]C)(P[4,5]C[4,5,5,6]OW)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[4,3x5]C[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	100.8160	0.000	1	100.8160	0.000	1	100.8160	0.000	1	100.8160	0.000	1	101.1200	0.185	2	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[3x5,6]	C[4,5,5,6,6]	C[5,5]	4:4:3:3:	4:4:4:3:	4:4:1:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:C[5,5]-3:C[6a]-3:	C[4,5,5,6,6]-4:C[3x5,6]-4:C[4,5,6]-4:C[6,6a]-3:	C[3x5,6]-4:C[3x5,6]-4:O-1:	C[3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6,6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]O)(C[6a]C[6a]2)	C[4,5,5,6,6](C[4,5,5,6,6]C[3x5,6]C[4,5,6]C[6,6a])(C[3x5,6]C[5,5,6,6]C[5,5]C[6a])(C[4,5,6]C[4,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[5,5](C[3x5,6]C[4,5,5,6,6]C[5,5,6,6]C[6a])2(O)	C[3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6,6a])(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]O)(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[4,5,5,6,6](C[4,5,5,6,6]C[3x5,6]C[4,5,6]C[6,6a])(C[3x5,6]C[5,5,6,6]C[5,5]C[6a])(C[4,5,6]C[4,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|O<1>,3|H<1>,8|C<3>}	C[5,5](C[3x5,6]C[4,5,5,6,6]C[5,5,6,6]C[6a])2(O){2|C<4>,2|H<1>,8|C<3>}	99.6506	0.231	2	99.6506	0.053	2	99.6506	0.053	2	99.6506	0.053	2	99.6506	0.053	2	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[4x5,6]	C[4,4x5,6]	C[5,5,6]	4:4:3:4:	4:4:4:4:	4:4:1:	C[4,4x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-3:C-4:	C[4,5,5,6,6]-4:C[4x5,6]-4:C[4,5]-4:C[5,6]-4:	C[4,5,5,6]-4:C[4x5,6]-4:O-1:	C[4x5,6](C[4,4x5,6]C[4,5,5,6,6]C[4,5]C[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[4,5,5,6]O)(CCHH)	C[4,4x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6,6]C)(C[4x5,6]C[5,5,6,6]C[5,5,6]C)(C[4,5]C[4,5,5,6]CH)(C[5,6]C[5,6]HO)	C[5,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5]H)(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C)(O)	C[4x5,6](C[4,4x5,6]C[4,5,5,6,6]C[4,5]C[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[4,5,5,6]O)(CCHH){1|O<2>,2|C<4>,7|H<1>}	C[4,4x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6,6]C)(C[4x5,6]C[5,5,6,6]C[5,5,6]C)(C[4,5]C[4,5,5,6]CH)(C[5,6]C[5,6]HO){1|O<1>,6|H<1>}	C[5,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5]H)(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C)(O){2|H<1>,5|C<4>}	96.5050	0.000	1	96.5050	0.000	1	96.5050	0.000	1	96.5050	0.000	1	96.5050	0.000	1	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5,5,4x6]	C[4,5,4x6]	C[5,5]	4:4:3:4:	4:4:4:3:	4:4:3:	C[4,5,4x6]-4:C[5,5x6]-4:C[5,5]-3:C-4:	C[4,4,5,6,6]-4:C[4,3x6]-4:C[5,5,4x6]-4:C[6a]-3:	C[4,5,5,6]-4:C[5,5,4x6]-4:C[5]-3:	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3)	C[4,5,4x6](C[4,4,5,6,6]C[4,4,3x6]C[4,5,5,6]C[6a])(C[4,3x6]C[4,4,3x6]C[6,6]H)(C[5,5,4x6]C[5,5x6]C[5,5]C)(C[6a]C[6a]2)	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,4x6]C)(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C)(C[5]S[5]2)	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3){2|S<2>,3|C<3>,3|C<4>,4|H<1>}	C[4,5,4x6](C[4,4,5,6,6]C[4,4,3x6]C[4,5,5,6]C[6a])(C[4,3x6]C[4,4,3x6]C[6,6]H)(C[5,5,4x6]C[5,5x6]C[5,5]C)(C[6a]C[6a]2){3|C<4>,5|C<3>,6|H<1>}	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,4x6]C)(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C)(C[5]S[5]2){2|H<1>,3|C<4>,4|C<3>}	101.3890	0.000	1	101.3890	0.000	1	101.3890	0.000	1	101.3890	0.000	1	101.3890	0.000	1	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5,5,6,6]	C[4,5,5,6,6]	C[5]	4:4:3:4:	3:4:4:4:	4:3:4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[5]-3:C-4:	P[4,5,5,6,6]-3:C[5,5,6,6]-4:C[4,5,6]-4:C-4:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3)	C[4,5,5,6,6](P[4,5,5,6,6]P[4,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[5]C)(C[4,5,6]P[4,5,3x6]C[5]C)(CH3)	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,4|C<4>}	C[4,5,5,6,6](P[4,5,5,6,6]P[4,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[5]C)(C[4,5,6]P[4,5,3x6]C[5]C)(CH3){1|C<3>,1|I<1>,5|C<4>}	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	102.3320	0.000	1	101.9817	0.152	3	101.9817	0.152	3	101.9817	0.152	3	101.9817	0.152	3	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5,5,6,6]	C[4,5,5,6,6]	C[5]	4:4:3:4:	3:4:4:4:	4:3:4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[5]-3:C-4:	P[4,5,5,6,6]-3:C[5,5,6,6]-4:C[4,5,6]-4:C-4:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3)	C[4,5,5,6,6](P[4,5,5,6,6]P[4,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[5]C)(C[4,5,6]P[4,5,3x6]C[5]C)(CH3)	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,4|C<4>}	C[4,5,5,6,6](P[4,5,5,6,6]P[4,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[5]C)(C[4,5,6]P[4,5,3x6]C[5]C)(CH3){1|Cl<1>,1|C<3>,5|C<4>}	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	102.0510	0.000	1	101.9817	0.152	3	101.9817	0.152	3	101.9817	0.152	3	101.9817	0.152	3	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5,5,6,6]	C[4,5,5,6,6]	C[5]	4:4:3:4:	3:4:4:4:	4:3:4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[5]-3:C-4:	P[4,5,5,6,6]-3:C[5,5,6,6]-4:C[4,5,6]-4:C-4:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3)	C[4,5,5,6,6](P[4,5,5,6,6]P[4,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[5]C)(C[4,5,6]P[4,5,3x6]C[5]C)(CH3)	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,4|C<4>}	C[4,5,5,6,6](P[4,5,5,6,6]P[4,5,3x6]C[3x5,6])(C[5,5,6,6]C[3x5,6,6]C[5]C)(C[4,5,6]P[4,5,3x6]C[5]C)(CH3){1|Ga<4>,1|C<3>,5|C<4>}	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	101.5620	0.000	1	101.9817	0.152	3	101.9817	0.152	3	101.9817	0.152	3	101.9817	0.152	3	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,5]	3:4:3:1:	4:4:2:1:	4:4:3:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[4,5,6]-4:O[4]-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[4,5,6]C[4,5,6]O[4]H)(C[5,5]C[5,5,6]C)(H)	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4,5]H)(O[4]C[4,5])(H)	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(CC[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]O[4]H)(C[5,5]C[5,5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4,5]H)(O[4]C[4,5])(H){1|H<1>,5|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(CC[6a]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	101.0330	0.000	1	101.0330	0.000	1	101.0330	0.000	1	101.0330	0.000	1	100.3656	5.720	4	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,5]	3:4:3:4:	4:4:4:3:	4:4:1:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:C-4:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]C)(C[4,5,6]C[4,5,6]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,5]C)(COO)	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>,4|C<3>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]C)(C[4,5,6]C[4,5,6]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,5]C)(COO){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C)2(O){2|C<4>,4|C<3>}	98.5146	0.808	2	98.5146	0.654	2	98.5146	0.654	2	98.5146	0.654	2	100.3656	5.720	4	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,5]	4:3:3:1:	4:4:4:1:	4:4:3:	C[4,5,6]-4:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[4,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]C)(H)	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]O[4]H)(C[4,5]C[5,6a]C[5]O[4])(H)	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(CC[6a]2)	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]O[4]H)(C[4,5]C[5,6a]C[5]O[4])(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(CC[6a]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	103.4000	0.000	1	103.4000	0.000	1	103.4000	0.000	1	103.4000	0.000	1	100.3656	5.720	4	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5,5]	C[4,3x5]	C[5]	4:4:3:4:	4:4:4:4:	4:3:1:	C[4,3x5]-4:C[5]-4:C[5]-3:C-4:	C[4,5]-4:C[4,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)(C[5]C[5]H)(CCHH)	C[4,3x5](C[4,5]C[4]C[5]H)2(C[5,5]C[5]2C)(C[5,5]C[5]2H)	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[4,5]H)(H)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)(C[5]C[5]H)(CCHH){3|C<4>,6|H<1>}	C[4,3x5](C[4,5]C[4]C[5]H)2(C[5,5]C[5]2C)(C[5,5]C[5]2H){12|H<1>}	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[4,5]H)(H){3|H<1>,4|C<4>}	100.0430	0.000	1	100.0430	0.000	1	100.0430	0.000	1	100.0430	0.000	1	100.0430	0.000	1	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5,5]	C[4,5,5]	C[5]	4:3:3:1:	4:4:2:4:	4:3:1:	C[4,5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[4,5]-4:O[5]-2:C[4]-4:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[4,5,5]C[4,5]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[4,5,5](C[5,5]C[5,6a]C[5]H)(C[4,5]C[4]N[5]H)(O[5]C[5,6a])(C[4]C[4]HH)	C[5](C[5,5]C[4,5,5]C[5,6a]H)(N[5]C[4,5]H)(O)	C[5,5](C[4,5,5]C[4,5]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[4,5,5](C[5,5]C[5,6a]C[5]H)(C[4,5]C[4]N[5]H)(O[5]C[5,6a])(C[4]C[4]HH){1|C<3>,1|N<2>,1|O<1>,3|H<1>}	C[5](C[5,5]C[4,5,5]C[5,6a]H)(N[5]C[4,5]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	104.9500	0.000	1	104.9500	0.000	1	104.9500	0.000	1	104.9500	0.000	1	102.2830	5.696	3	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5,5]	C[4,5,5]	C[5]	4:3:3:3:	4:4:4:3:	4:3:1:	C[4,5,5]-4:C[6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[4,5]-4:C[5]-4:C[4]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[4,5,5](C[5,5]C[6a]C[5]2)(C[4,5]C[4]C[5]C)(C[5]C[5]CC)(C[4]C[4]H)	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[6a]C[5])(H)	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<2>,3|H<1>,5|C<3>}	C[4,5,5](C[5,5]C[6a]C[5]2)(C[4,5]C[4]C[5]C)(C[5]C[5]CC)(C[4]C[4]H){1|C<2>,1|H<1>,5|C<3>}	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[6a]C[5])(H){1|C<4>,3|C<2>,6|C<3>}	100.3480	0.000	1	100.3480	0.000	1	100.3480	0.000	1	100.3480	0.000	1	102.2830	5.696	3	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5,5]	C[4,5,5]	C[5]	4:3:3:3:	4:4:4:3:	4:3:2:	C[4,5,5]-4:C[6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[4,5]-4:C[5]-4:C[4]-3:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[4,5,5](C[5,5]C[6a]C[5]2)(C[4,5]C[4]C[5]C)(C[5]C[5]CC)(C[4]C[4]H)	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[4,5]C[6a])(CN)	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<2>,3|H<1>,5|C<3>}	C[4,5,5](C[5,5]C[6a]C[5]2)(C[4,5]C[4]C[5]C)(C[5]C[5]CC)(C[4]C[4]H){1|C<2>,1|H<1>,5|C<3>}	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[4,5]C[6a])(CN){1|C<2>,1|C<4>,1|H<1>,7|C<3>}	101.5510	0.000	1	101.5510	0.000	1	101.5510	0.000	1	101.5510	0.000	1	102.2830	5.696	3	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5,6]	C[4,5,6]	C[5]	4:4:3:1:	4:4:4:1:	4:2:1:	C[4,5,6]-4:C[6]-4:C[5]-3:H-1:	C[4,5]-4:C[4,6]-4:C[5,6]-4:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[4,5,6](C[4,5]C[4]O[5]H)(C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(H)	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5])(O)	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[4,5,6](C[4,5]C[4]O[5]H)(C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5])(O){2|C<3>,2|C<4>,3|H<1>}	103.5890	0.000	1	103.5890	0.000	1	103.5890	0.000	1	103.5890	0.000	1	104.0775	0.477	2	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5,6]	C[4,5,6]	C[5]	4:4:3:1:	4:4:4:4:	4:2:1:	C[4,5,6]-4:C[6]-4:C[5]-3:H-1:	C[4,5]-4:C[4,6]-4:C[5,6]-4:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[4,5,6](C[4,5]C[4]O[5]H)(C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(CH3)	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5])(O)	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H){2|C<3>,3|H<1>}	C[4,5,6](C[4,5]C[4]O[5]H)(C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5])(O){2|C<3>,2|H<1>,3|C<4>}	104.5660	0.000	1	104.5660	0.000	1	104.5660	0.000	1	104.5660	0.000	1	104.0775	0.477	2	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5,6]	C[4,5]	C[5,6]	4:3:4:4:	3:4:3:3:	3:3:4:	C[4,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[4,5]-3:C[4]-3:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[4,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[4,5]C[4,5]C[5])(C[4]C[4,5]C[6a])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C)	C[5,6](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,6|C<3>}	C[4,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[4,5]C[4,5]C[5])(C[4]C[4,5]C[6a]){1|Cl<1>,2|C<4>,2|H<1>,7|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C){2|H<1>,3|C<4>,7|C<3>}	100.6900	0.798	2	100.6900	0.636	2	100.6900	0.636	2	100.6900	0.636	2	100.6900	0.636	2	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5,5]	C[5]	4:3:2:2:	4:4:4:3:	4:3:3:	C[4,5,5]-4:C[5]-3:C-2:C-2:	C[5,5]-4:C[4,5]-4:C[5]-4:C[4]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(C[5]C[6a]C[5])(CN)2	C[4,5,5](C[5,5]C[6a]C[5]2)(C[4,5]C[4]C[5]C)(C[5]C[5]CC)(C[4]C[4]H)	C[5](C[5]C[4,5,5]CC)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(C[5]C[6a]C[5])(CN)2{1|C<2>,2|H<1>,6|C<3>}	C[4,5,5](C[5,5]C[6a]C[5]2)(C[4,5]C[4]C[5]C)(C[5]C[5]CC)(C[4]C[4]H){1|C<2>,1|H<1>,5|C<3>}	C[5](C[5]C[4,5,5]CC)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	101.7050	0.000	1	101.7050	0.000	1	101.7050	0.000	1	101.7050	0.000	1	102.6080	2.509	3	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5,5]	C[5]	4:3:4:4:	4:4:4:3:	4:4:1:	C[4,5,5]-4:C[5]-3:C-4:C-4:	C[4,5,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:O-1:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]S[5]H)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[4,5,5]CC)2(O)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2{1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]S[5]H)(C[5]C[5]CC)(C[5]C[5]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[4,5,5]CC)2(O){2|C<3>,2|C<4>}	104.4370	0.000	1	103.0595	3.795	2	103.0595	3.795	2	103.0595	3.795	2	102.6080	2.509	3	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5,5]	C[5]	4:3:4:4:	4:4:4:3:	4:4:1:	C[4,5,5]-4:C[5]-3:C-4:C-4:	C[4,5,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:O-1:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]S[5]H)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[4,5,5]CC)2(O)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]S[5]H)(C[5]C[5]CC)(C[5]C[5]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>,3|O<1>}	C[5](C[5]C[4,5,5]CC)2(O){2|C<3>,2|C<4>}	101.6820	0.000	1	103.0595	3.795	2	103.0595	3.795	2	103.0595	3.795	2	102.6080	2.509	3	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:1:1:	3:4:4:1:	4:3:2:	C[4,5]-4:C[5]-3:H-1:H-1:	N[4,5]-3:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:S-2:	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(H)2	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[4,5]HH)(C[5]N[4,5]C)(SC)	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]CH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>}	C[5](C[5]C[4,5]HH)(C[5]N[4,5]C)(SC){1|C<3>,1|C<4>,1|H<1>}	103.0061	0.144	7	103.0061	0.021	7	103.0061	0.021	7	103.0061	0.021	7	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:1:1:	4:4:4:1:	4:2:1:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(H)2	C[4,5](C[4,5]C[4]O[5]C)(C[4]C[4]HO)(C[5]C[5]HH)(H)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[4,5](C[4,5]C[4]O[5]C)(C[4]C[4]HO)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(O){1|H<1>,3|C<4>}	105.9990	0.000	1	105.9990	0.000	1	105.2535	1.112	2	105.2535	1.112	2	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:1:1:	4:4:4:1:	4:2:1:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(H)2	C[4,5](C[4,5]C[4]O[5]H)(C[4]C[4]CO)(C[5]C[5]HH)(H)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[4,5](C[4,5]C[4]O[5]H)(C[4]C[4]CO)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(O){2|C<4>,2|H<1>}	104.5080	0.000	1	104.5080	0.000	1	105.2535	1.112	2	105.2535	1.112	2	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:1:1:	4:4:4:1:	4:3:1:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CO)(C[5]C[5]HH)(H)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]H)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CO)(C[5]C[5]HH)(H){1|Cl<1>,3|H<1>}	C[5](C[5]C[4,5]HH)(C[5]C[4,5]H)(H){2|C<4>,2|H<1>}	102.5310	0.000	1	102.5310	0.000	1	102.5310	0.000	1	102.5310	0.000	1	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:1:1:	4:4:4:1:	4:4:1:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(H)2	C[4,5](C[4,5]C[4,6]C[5]O)(C[4,6]C[4,6]C[6]O)(C[5]C[5]HH)(H)	C[5](C[5]C[4,5]HH)2(H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[4,5](C[4,5]C[4,6]C[5]O)(C[4,6]C[4,6]C[6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[4,5]HH)2(H){1|H<1>,1|O<2>,2|C<4>}	103.6230	0.000	1	103.6230	0.000	1	103.6230	0.000	1	103.6230	0.000	1	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:1:1:	4:4:4:2:	4:4:1:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:O-2:	C[5]-4:C[5]-4:H-1:	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]H)(H)2	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5]HH)(OC)	C[5](C[5]C[4,5]HH)2(H)	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]H)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5]HH)(OC){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[4,5]HH)2(H){1|H<1>,1|O<2>,2|C<4>}	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:1:1:	4:4:4:3:	4:3:1:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:N-3:	C[5]-4:C[5]-3:H-1:	C[5](C[4,5]C[4,5]C[4,6]N)(C[5]C[5]H)(H)2	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]C[6]C)(C[5]C[5]HH)(NCH)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H)	C[5](C[4,5]C[4,5]C[4,6]N)(C[5]C[5]H)(H)2{1|H<1>,4|C<4>}	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]C[6]C)(C[5]C[5]HH)(NCH){3|C<4>,4|H<1>}	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H){1|H<1>,1|N<3>,2|C<4>}	103.6820	0.000	1	103.6820	0.000	1	103.6820	0.000	1	103.6820	0.000	1	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:1:1:	4:4:4:4:	4:3:1:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2	C[4,5](C[4,5]C[4]C[5]O)(C[4]C[4]HH)(C[5]C[5]HH)(CH3)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]O)(C[4]C[4]HH)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>}	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H){1|O<2>,3|C<4>}	103.2170	0.000	1	103.2170	0.000	1	103.0035	0.091	2	103.0035	0.091	2	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:1:1:	4:4:4:4:	4:3:1:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2	C[4,5](C[4,5]C[4]C[5]S)(C[4]C[4]HH)(C[5]C[5]HH)(CH3)	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]S)(C[4]C[4]HH)(C[5]C[5]HH)(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[4,5]HH)(C[5]C[4,5]C)(H){1|S<4>,3|C<4>}	102.7900	0.000	1	102.7900	0.000	1	103.0035	0.091	2	103.0035	0.091	2	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:2:1:	4:4:3:1:	4:3:1:	C[4,5]-4:C[5]-3:O-2:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(OH)(H)	C[4,5](C[4,5]C[5]N[4]C)(C[5]C[5]HO)(C[4]N[4]O)(H)	C[5](C[5]C[4,5]HO)(C[5]C[4,5]H)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[4,5](C[4,5]C[5]N[4]C)(C[5]C[5]HO)(C[4]N[4]O)(H){1|C<4>,2|H<1>}	C[5](C[5]C[4,5]HO)(C[5]C[4,5]H)(H){1|H<1>,1|N<3>,2|C<3>}	103.3820	0.438	2	103.3820	0.192	2	103.3820	0.192	2	103.3820	0.192	2	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:2:2:	4:4:4:1:	4:3:1:	C[4,5]-4:C[5]-3:O-2:O-2:	C[4,4]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:Cl-1:	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]Cl)(OC)2	C[4,5](C[4,4]C[4,4]C[4]O)(C[4,5]C[4,4]C[5]O)(C[5]C[5]OO)(H)	C[5](C[5]C[4,5]OO)(C[5]C[4,5]Cl)(Cl)	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]Cl)(OC)2{1|Cl<1>,1|C<3>,1|C<4>,2|O<2>}	C[4,5](C[4,4]C[4,4]C[4]O)(C[4,5]C[4,4]C[5]O)(C[5]C[5]OO)(H){4|Cl<1>,1|C<3>}	C[5](C[5]C[4,5]OO)(C[5]C[4,5]Cl)(Cl){1|H<1>,1|O<2>,2|C<4>}	101.5560	0.000	1	101.5560	0.000	1	101.5560	0.000	1	101.5560	0.000	1	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:4:1:	3:4:4:1:	4:3:2:	C[4,5]-4:C[5]-3:C-4:H-1:	N[4,5]-3:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:S-2:	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H)	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]CH)(C[5]C[5]CH)(H)	C[5](C[5]C[4,5]CH)(C[5]N[4,5]C)(SC[4])	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]CH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|S<2>}	C[5](C[5]C[4,5]CH)(C[5]N[4,5]C)(SC[4]){1|C<3>,1|C<4>,1|H<1>}	100.7870	0.000	1	100.7870	0.000	1	101.1705	0.294	2	101.1705	0.294	2	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:4:1:	3:4:4:1:	4:3:2:	C[4,5]-4:C[5]-3:C-4:H-1:	N[4,5]-3:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:S-2:	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H)	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]CH)(C[5]C[5]CH)(H)	C[5](C[5]C[4,5]CH)(C[5]N[4,5]C)(SC[5])	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]CH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|S<2>}	C[5](C[5]C[4,5]CH)(C[5]N[4,5]C)(SC[5]){1|C<3>,1|C<4>,1|H<1>}	101.5540	0.000	1	101.5540	0.000	1	101.1705	0.294	2	101.1705	0.294	2	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:4:1:	4:4:2:1:	4:3:1:	C[4,5]-4:C[5]-3:C-4:H-1:	C[4,5]-4:C[5]-4:O[4]-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]O)(CH3)(H)	C[4,5](C[4,5]C[4]N[5]C)(C[5]C[5]CH)(O[4]C[4])(H)	C[5](C[5]C[4,5]CH)(N[5]C[4,5]H)(O)	C[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,5](C[4,5]C[4]N[5]C)(C[5]C[5]CH)(O[4]C[4])(H){1|H<1>,2|O<1>}	C[5](C[5]C[4,5]CH)(N[5]C[4,5]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	103.6290	0.376	3	103.6290	0.141	3	103.6290	0.141	3	103.6290	0.141	3	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:4:1:	4:4:4:1:	4:2:1:	C[4,5]-4:C[5]-3:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(CCHH)(H)	C[4,5](C[4,5]C[4]O[5]C)(C[4]C[4]HH)(C[5]C[5]CH)(H)	C[5](C[5]C[4,5]CH)(O[5]C[4,5])(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(CCHH)(H){2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]O[5]C)(C[4]C[4]HH)(C[5]C[5]CH)(H){1|O<1>,2|C<4>}	C[5](C[5]C[4,5]CH)(O[5]C[4,5])(O){1|H<1>,3|C<4>}	102.7060	0.035	2	102.7060	0.001	2	102.7060	0.001	2	102.7060	0.001	2	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:4:1:	4:4:4:1:	4:3:1:	C[4,5]-4:C[5]-3:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(CCOY)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]OY)(C[5]C[5]CH)(H)	C[5](C[5]C[4,5]CH)(C[5]C[4,5]H)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(CCOY)(H){1|C<4>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]OY)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[4,5]CH)(C[5]C[4,5]H)(H){2|C<4>,2|H<1>}	99.6708	0.004	2	99.6708	0.000	2	99.6708	0.000	2	99.6708	0.000	2	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:4:1:	4:4:4:1:	4:3:2:	C[4,5]-4:C[5]-3:S-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5])(SC[6a]OO)(H)	C[4,5](C[4,5]C[4]N[5]C)(C[4]C[6a]C[4]H)(C[5]C[5]HS)(H)	C[5](C[5]C[4,5]HS)(C[6a]C[6a]2)(N[5]C[4,5])	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5])(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[4,5](C[4,5]C[4]N[5]C)(C[4]C[6a]C[4]H)(C[5]C[5]HS)(H){1|H<1>,4|C<3>}	C[5](C[5]C[4,5]HS)(C[6a]C[6a]2)(N[5]C[4,5]){2|C<3>,3|C<4>,3|H<1>}	102.6815	1.244	2	102.6815	1.547	2	102.6815	1.547	2	102.6815	1.547	2	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:4:4:	4:4:4:1:	3:4:1:	C[4,5]-4:C[5]-3:C-4:C-4:	C[4,5,6]-4:C[4]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]N[5,6]O)(CH3)2	C[4,5](C[4,5,6]C[4,6]N[5,6]H)(C[4]C[4,6]HH)(C[5]C[5]CC)(H)	C[5](N[5,6]C[4,5,6]C[6,6a])(C[5]C[4,5]CC)(O)	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]N[5,6]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[4,5](C[4,5,6]C[4,6]N[5,6]H)(C[4]C[4,6]HH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](N[5,6]C[4,5,6]C[6,6a])(C[5]C[4,5]CC)(O){2|C<3>,2|C<4>,2|H<1>}	100.9525	0.043	2	100.9525	0.002	2	100.9525	0.002	2	101.3820	0.254	4	102.8092	2.622	33	102.3157	3.906	61
474	478	818	5:SP3_SP2_SP3	C[5]	C[4,5]	C[5]	4:3:4:4:	4:4:4:1:	3:4:1:	C[4,5]-4:C[5]-3:C-4:C-4:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(CH3)2	C[4,5](C[4,5]C[4]N[5]H)(C[4]C[4]HH)(C[5]C[5]CC)(H)	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]CC)(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]N[5]H)(C[4]C[4]HH)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]CC)(O){2|C<3>,2|C<4>,2|H<1>}	101.8115	0.148	2	101.8115	0.022	2	101.8115	0.022	2	101.3820	0.254	4	102.8092	2.622	33	102.3157	3.906	61
474	478	818	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6]	4:2:3:1:	4:4:3:1:	4:3:1:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,6]O[5,5]H)(C[4]C[4]O)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,6]O[5,5]H)(C[4]C[4]O)(H){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	105.5170	0.000	1	105.5170	0.000	1	105.5170	0.000	1	105.5170	0.000	1	105.3494	2.739	15	106.6169	9.103	21
474	478	818	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6]	4:2:3:1:	4:4:4:1:	4:3:1:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,6]O[5,5]H)(C[4]C[4]HH)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,5|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,6]O[5,5]H)(C[4]C[4]HH)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	106.6750	0.000	1	106.6750	0.000	1	106.6750	0.000	1	106.6750	0.000	1	105.3494	2.739	15	106.6169	9.103	21
474	478	818	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6]	4:2:3:1:	4:4:4:1:	4:3:3:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]H)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){2|C<4>,2|H<1>}	106.2080	0.327	2	106.2927	0.075	3	106.2927	0.075	3	106.2927	0.075	3	105.3494	2.739	15	106.6169	9.103	21
474	478	818	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6]	4:2:3:1:	4:4:4:1:	4:3:3:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]H)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	106.4620	0.000	1	106.2927	0.075	3	106.2927	0.075	3	106.2927	0.075	3	105.3494	2.739	15	106.6169	9.103	21
474	478	818	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6]	4:2:3:1:	4:4:4:3:	4:3:1:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4,5]-4:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4,5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[4,5]C[4,5]C[5]H)(COO)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4,5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[4,5]C[4,5]C[5]H)(COO){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	108.1720	0.000	1	108.1720	0.000	1	108.3835	0.089	2	108.3835	0.089	2	105.3494	2.739	15	106.6169	9.103	21
474	478	818	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6]	4:2:3:1:	4:4:4:3:	4:3:1:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4,5]-4:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4,5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[4,5]C[4,5]N[5]H)(COO)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4,5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[4,5]C[4,5]N[5]H)(COO){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	108.5950	0.000	1	108.5950	0.000	1	108.3835	0.089	2	108.3835	0.089	2	105.3494	2.739	15	106.6169	9.103	21
474	478	818	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6]	4:2:3:3:	4:4:4:1:	4:3:3:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]C)(H)	C[5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,2|C<4>,3|H<1>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[4,5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){2|C<4>,2|H<1>}	104.0520	0.000	1	104.0520	0.000	1	104.0520	0.000	1	104.0520	0.000	1	105.3494	2.739	15	106.6169	9.103	21
474	478	818	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]N[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]N[4]O)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,3|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]N[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]N[4]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	103.9150	0.000	1	103.9150	0.000	1	103.9150	0.000	1	103.5625	0.249	2	105.3494	2.739	15	106.6169	9.103	21
474	478	818	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:N[4]-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(N[4]C[4]C)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]N[4]H)(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[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(N[4]C[4]C)(H){1|C<3>,1|O<1>,4|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){1|C<4>,1|N<3>,4|H<1>}	103.2100	0.000	1	103.2100	0.000	1	103.2100	0.000	1	103.5625	0.249	2	105.3494	2.739	15	106.6169	9.103	21
474	478	818	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6]	4:4:3:1:	4:4:3:1:	4:4:1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]C[6a]C[4])(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(H){2|C<3>,4|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]C[6a]C[4])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(O){1|C<3>,1|C<4>,4|H<1>}	103.5780	0.000	1	103.5780	0.000	1	103.5780	0.000	1	103.5780	0.000	1	105.3494	2.739	15	106.6169	9.103	21
474	478	818	6:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C[5,6]	4:4:3:1:	4:4:4:1:	4:3:1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,5]C[5,6]H)(H)	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(H){2|C<4>,4|H<1>}	104.4123	0.302	4	104.4123	0.091	4	104.4123	0.091	4	104.4123	0.091	4	105.3494	2.739	15	106.6169	9.103	21
474	478	818	6:SP3_SP2_SP3	C[5,6,6]	C[4,5,4x6]	C[5,6]	4:3:3:1:	3:3:4:3:	4:4:1:	C[4,5,4x6]-4:C[5,6]-3:C[5,6]-3:H-1:	C[4,5,5,6,6]-3:C[4,5,5,6,6]-3:C[5,6,6]-4:C[6,6]-3:	C[4,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6](C[4,5,4x6]C[4,5,5,6,6]2C[6,6])(C[5,6]C[4,5,6]H)2(H)	C[4,5,4x6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6,6])2(C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]H)	C[5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,6,6]C[4,5,4x6]C[5,6]H)(H)	C[5,6,6](C[4,5,4x6]C[4,5,5,6,6]2C[6,6])(C[5,6]C[4,5,6]H)2(H){1|C<3>,3|C<4>,3|H<1>}	C[4,5,4x6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6,6])2(C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6](C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[5,6,6]C[4,5,4x6]C[5,6]H)(H){1|C<4>,3|C<3>,3|H<1>}	116.6760	0.000	1	116.6760	0.000	1	116.6760	0.000	1	116.6760	0.000	1	116.6760	0.000	1	106.6169	9.103	21
474	478	818	6:SP3_SP2_SP3	C[5,6]	C[4,6]	C[5,6]	3:4:3:4:	4:4:4:1:	4:2:3:	C[5,6a]-3:C[4,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6]-4:N[5]-2:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3)	C[4,6](C[5,6]C[5,6a]C[5,6]C)(C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[4,6]C)(N[5]C[5,6a])(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3){3|C<3>,3|C<4>,3|H<1>}	C[4,6](C[5,6]C[5,6a]C[5,6]C)(C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[4,6]C)(N[5]C[5,6a])(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	108.7173	0.400	4	108.7173	0.160	4	108.7173	0.160	4	108.7173	0.160	4	108.4076	0.600	5	106.6169	9.103	21
474	478	818	6:SP3_SP2_SP3	C[5,6]	C[4,6]	C[5,6]	4:3:4:2:	4:3:4:4:	4:3:3:	C[4,6]-4:C[5,6]-3:C[5]-4:O-2:	C[5,6]-4:C[4,6]-3:C[4]-4:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH)	C[4,6](C[5,6]C[5,6]C[5]O)(C[4,6]C[4]C[6])(C[4]C[4]HH)(CH3)	C[5,6](C[5,6]C[4,6]C[5]O)(C[5]C[5]H)(C[6]C[6]O)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[4,6](C[5,6]C[5,6]C[5]O)(C[4,6]C[4]C[6])(C[4]C[4]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[4,6]C[5]O)(C[5]C[5]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	108.4076	0.600	5	106.6169	9.103	21
474	478	856	6:SP3_SP2_SP3	C[5,3x6]	C[4,5,6,6]	N[6,6]	4:4:3:2:	4:4:4:1:	4:3:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:O-2:	C[4,5,5,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH)	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]N[6,6]O)(H)	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH){1|O<1>,4|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]N[6,6]O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	110.0760	0.682	2	110.0760	0.682	2
474	478	856	6:SP3_SP2_SP3	C[5,3x6]	C[4,5,6,6]	N[6,6]	4:4:3:3:	4:4:4:1:	4:3:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:N-3:	C[4,5,5,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(NHH)	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]N[6,6]N)(H)	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(NHH){1|O<1>,4|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]N[6,6]N)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	110.0760	0.682	2	110.0760	0.682	2
474	478	891	0:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	S[5]	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,6,6]-4:C[4,5,6]-4:S[5]-2:S[5]-2:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(S[5]C[5])2	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6,6]S[5]2)(H)	S[5](C[5,5,6]C[5,5,6,6]C[4,5,6]S[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(S[5]C[5])2{1|C<3>,3|C<4>,8|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6,6]S[5]2)(H){1|O<1>,3|H<1>,5|C<4>}	S[5](C[5,5,6]C[5,5,6,6]C[4,5,6]S[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	112.7720	1.416	2	112.7720	2.004	2	112.7720	2.004	2	112.7720	2.004	2	112.7720	2.004	2	112.7720	2.004	2
474	478	891	5:SP3_SP3_SP3	C[5]	C[4,5,5]	S[5]	4:2:4:1:	4:4:4:3:	4:4:	C[4,5,5]-4:S[5]-2:C-4:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(S[5]C[5])(CH3)(H)	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]S[5]CH)(C[5]O[5]C)	S[5](C[5]C[4,5,5]CH)(C[5]C[4,5]CH)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(S[5]C[5])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]S[5]CH)(C[5]O[5]C){2|H<1>,4|C<4>}	S[5](C[5]C[4,5,5]CH)(C[5]C[4,5]CH){1|C<3>,1|H<1>,2|C<4>}	103.3780	0.000	1	103.3780	0.000	1	103.3780	0.000	1	103.3780	0.000	1	103.3780	0.000	1	104.7467	1.318	6
474	478	891	5:SP3_SP3_SP3	C[5]	C[4,5]	S[5]	4:2:4:1:	4:3:4:2:	4:4:	C[4,5]-4:S[5]-2:C-4:H-1:	C[4,5]-4:C[6a]-3:C[5]-4:O[4]-2:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[6a]O[4])(S[5]C[5])(CH3)(H)	C[4,5](C[4,5]C[4]C[5]C)(C[6a]C[6a]2)(C[5]S[5]CH)(O[4]C[4])	S[5](C[5]C[4,5]C[6a]O)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[6a]O[4])(S[5]C[5])(CH3)(H){1|C<4>,1|O<2>,4|C<3>}	C[4,5](C[4,5]C[4]C[5]C)(C[6a]C[6a]2)(C[5]S[5]CH)(O[4]C[4]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	S[5](C[5]C[4,5]C[6a]O)(C[5]C[4,5]CH){1|C<4>,1|O<2>,4|C<3>}	105.1440	0.000	1	105.1440	0.000	1	105.1440	0.000	1	105.1440	0.000	1	105.0204	1.085	5	104.7467	1.318	6
474	478	891	5:SP3_SP3_SP3	C[5]	C[4,5]	S[5]	4:2:4:1:	4:4:4:1:	4:4:	C[4,5]-4:S[5]-2:C-4:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(S[5]C[5])(CH3)(H)	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]C[5]H)(C[5]S[5]CH)(H)	S[5](C[5]C[4,5,5]CH)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5,5]C[4,5]H)(S[5]C[5])(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]C[5]H)(C[5]S[5]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	S[5](C[5]C[4,5,5]CH)(C[5]C[4,5]CH){1|C<3>,1|H<1>,2|C<4>}	106.1920	0.000	1	106.1920	0.000	1	106.1920	0.000	1	105.0930	2.416	2	105.0204	1.085	5	104.7467	1.318	6
474	478	891	5:SP3_SP3_SP3	C[5]	C[4,5]	S[5]	4:2:4:1:	4:4:4:1:	4:4:	C[4,5]-4:S[5]-2:C-4:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]2H)(S[5]C[5])(CH3)(H)	C[4,5](C[4,5]C[4,5]C[5]C)(C[4,5]C[4,5]C[5]H)(C[5]S[5]CH)(H)	S[5](C[5]C[4,5]CH)2	C[5](C[4,5]C[4,5]2H)(S[5]C[5])(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[4,5](C[4,5]C[4,5]C[5]C)(C[4,5]C[4,5]C[5]H)(C[5]S[5]CH)(H){1|C<3>,3|C<4>,3|H<1>}	S[5](C[5]C[4,5]CH)2{1|C<3>,1|H<1>,2|C<4>}	103.9940	0.000	1	103.9940	0.000	1	103.9940	0.000	1	105.0930	2.416	2	105.0204	1.085	5	104.7467	1.318	6
474	478	891	5:SP3_SP3_SP3	C[5]	C[4,5]	S[5]	4:2:4:1:	4:4:4:3:	4:4:	C[4,5]-4:S[5]-2:C-4:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]2C)(S[5]C[5])(CH3)(H)	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]S[5]CH)(COO)	S[5](C[5]C[4,5]CH)2	C[5](C[4,5]C[4,5]2C)(S[5]C[5])(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]S[5]CH)(COO){1|C<3>,2|H<1>,3|C<4>}	S[5](C[5]C[4,5]CH)2{1|C<3>,1|H<1>,2|C<4>}	105.8510	0.000	1	105.8510	0.000	1	105.8510	0.000	1	105.8510	0.000	1	105.0204	1.085	5	104.7467	1.318	6
474	478	891	5:SP3_SP3_SP3	C[5]	C[4,5]	S[5]	4:3:2:2:	4:4:3:4:	4:4:	C[4,5]-4:C[6a]-3:S[5]-2:O-2:	C[4,5]-4:C[5]-4:C[4]-3:C-4:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH)	C[4,5](C[4,5]C[6a]C[5]O[4])(C[5]C[6a]S[5]O)(C[4]O[4]O)(CH3)	S[5](C[5]C[4,5]C[6a]O)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[4,5](C[4,5]C[6a]C[5]O[4])(C[5]C[6a]S[5]O)(C[4]O[4]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	S[5](C[5]C[4,5]C[6a]O)(C[5]C[4,5]CH){1|C<4>,1|O<2>,4|C<3>}	103.9210	0.000	1	103.9210	0.000	1	103.9210	0.000	1	103.9210	0.000	1	105.0204	1.085	5	104.7467	1.318	6
474	478	893	0:SP3_SP2_SP3	C[5,6]	C[4,5,6]	O	4:4:3:2:	4:4:4:1:	4:3:	C[5,5,6,6]-4:C[4,5,6]-4:C-3:O-2:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(COO)(OC)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]CO)(H)	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(CCO)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(COO)(OC){1|C<3>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]CO)(H){1|O<1>,3|C<4>,3|H<1>}	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(CCO)	114.9370	0.000	1	114.9370	0.000	1	114.9370	0.000	1	114.9370	0.000	1	114.9370	0.000	1	112.6944	5.319	10
474	478	893	0:SP3_SP2_SP3	C[5]	C[4,5,5]	O	4:4:2:1:	4:4:4:3:	4:3:	C[4,5,5]-4:C[5]-4:O-2:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5]-4:C-3:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5,5]HH)(OC)(H)	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]O)	O(C[5]C[4,5,5]C[5]H)(CC[6a]O)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5,5]HH)(OC)(H){1|O<1>,3|H<1>,4|C<4>}	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]O){2|C<4>,8|H<1>}	O(C[5]C[4,5,5]C[5]H)(CC[6a]O)	112.0150	0.593	4	112.0150	0.352	4	112.0150	0.352	4	111.2516	3.178	5	111.2516	3.178	5	112.6944	5.319	10
474	478	893	0:SP3_SP2_SP3	C[5]	C[4,5,5]	O	4:4:2:1:	4:4:4:3:	4:3:	C[4,5,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5]-4:C-3:	C[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]HH)(OC)(H)	C[4,5,5](C[4,5]C[4]C[5]H)2(C[5]C[5]HO)(C[5]C[5]O)	O(C[5]C[4,5,5]C[5]H)(CC[6a]O)	C[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]HH)(OC)(H){1|O<1>,3|C<4>,4|H<1>}	C[4,5,5](C[4,5]C[4]C[5]H)2(C[5]C[5]HO)(C[5]C[5]O){10|H<1>}	O(C[5]C[4,5,5]C[5]H)(CC[6a]O)	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	111.2516	3.178	5	111.2516	3.178	5	112.6944	5.319	10
474	478	893	0:SP3_SP2_SP3	C[5]	C[4,5,6]	O	4:4:2:1:	4:4:4:3:	4:3:	C[4,5,6]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:C[6]-3:	C[5]-4:C-3:	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H)	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]C[5]HO)(C[6]C[6]O)	O(C[5]C[4,5,6]C[5]H)(CC[6a]O)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]C[5]HO)(C[6]C[6]O){1|C<4>,9|H<1>}	O(C[5]C[4,5,6]C[5]H)(CC[6a]O)	115.5430	0.000	1	115.5525	0.000	2	115.5525	0.000	2	115.5525	0.000	2	115.5525	0.000	2	112.6944	5.319	10
474	478	893	0:SP3_SP2_SP3	C[5]	C[4,5,6]	O	4:4:2:1:	4:4:4:3:	4:3:	C[4,5,6]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:C[6]-3:	C[5]-4:C-3:	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H)	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]C[5]HO)(C[6]C[6]O)	O(C[5]C[4,5,6]C[5]H)(CC[6a]O)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H){1|O<1>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]C[5]HO)(C[6]C[6]O){10|H<1>,1|C<3>}	O(C[5]C[4,5,6]C[5]H)(CC[6a]O)	115.5620	0.000	1	115.5525	0.000	2	115.5525	0.000	2	115.5525	0.000	2	115.5525	0.000	2	112.6944	5.319	10
474	478	893	0:SP3_SP2_SP3	C[5]	C[4,5]	O	4:4:2:1:	4:4:4:1:	4:3:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C-3:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(OC)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]C[5]HO)(H)	O(C[5]C[4,5]C[5]H)(CCO)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]C[5]HO)(H){1|C<4>,2|O<2>,3|H<1>}	O(C[5]C[4,5]C[5]H)(CCO)	113.5690	0.000	1	113.5690	0.000	1	113.5690	0.000	1	113.5690	0.000	1	112.3220	3.110	2	112.6944	5.319	10
474	478	893	0:SP3_SP2_SP3	C[5]	C[4,5]	O	4:4:2:1:	4:4:4:4:	4:3:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[4]-4:C[5]-4:Si-4:	C[5]-4:C-3:	C[5](C[4,5]C[4,5]C[4]Si)(C[5]C[5]HH)(OC)(H)	C[4,5](C[4,5]C[6a]C[4]C[5])(C[4]C[4]HH)(C[5]C[5]HO)(SiC[6a]CC)	O(C[5]C[4,5]C[5]H)(CNO)	C[5](C[4,5]C[4,5]C[4]Si)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[4,5](C[4,5]C[6a]C[4]C[5])(C[4]C[4]HH)(C[5]C[5]HO)(SiC[6a]CC){2|C<3>,6|H<1>}	O(C[5]C[4,5]C[5]H)(CNO)	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	112.3220	3.110	2	112.6944	5.319	10
474	478	893	0:SP3_SP3_SP3	C[3x5,6]	C[4,5,5,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:O-2:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:H-1:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]O)(H)	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH){1|C<3>,3|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]O)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	118.9380	0.000	1	119.1090	0.058	2	119.1090	0.058	2	119.1090	0.058	2	119.1090	0.058	2	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[3x5,6]	C[4,5,5,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:O-2:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:H-1:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]O)(H)	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH){4|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]O)(H){3|H<1>,4|C<4>}	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	119.2800	0.000	1	119.1090	0.058	2	119.1090	0.058	2	119.1090	0.058	2	119.1090	0.058	2	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,3x6]	C[4,5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	C[4,5,5,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]C[6,6]O)(H)	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]C[6,6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]C[6,6]O)(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]C[6,6])(H)	111.5710	0.000	1	112.1565	0.686	2	112.1565	0.686	2	113.1443	3.270	3	113.1443	3.270	3	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,3x6]	C[4,5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	C[4,5,5,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]C[6,6]O)(H)	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]C[6,6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]C[6,6]O)(H){1|O<1>,2|N<3>,3|C<4>,3|H<1>}	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]C[6,6])(H)	112.7420	0.000	1	112.1565	0.686	2	112.1565	0.686	2	113.1443	3.270	3	113.1443	3.270	3	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,3x6]	C[4,5,6,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:O-2:	C[4,5,5,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH)	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]N[6,6]O)(H)	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]N[6,6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH){1|O<1>,4|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]N[6,6]O)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]N[6,6])(H)	115.1200	0.000	1	115.1200	0.000	1	115.1200	0.000	1	113.1443	3.270	3	113.1443	3.270	3	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,5]	C[4,3x5]	O	4:4:4:2:	4:4:4:4:	4:4:	C[4,3x5]-4:C[5]-4:C[5]-4:O-2:	C[4,5]-4:C[4,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:Si-4:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi)	C[4,3x5](C[4,5]C[4]C[5]C)(C[4,5]C[4]C[5]H)(C[5,5]C[5]2C)(C[5,5]C[5]2O)	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi){1|C<3>,4|C<4>,5|H<1>}	C[4,3x5](C[4,5]C[4]C[5]C)(C[4,5]C[4]C[5]H)(C[5,5]C[5]2C)(C[5,5]C[5]2O){12|H<1>,1|O<1>}	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	111.0690	0.000	1	111.0690	0.000	1	112.0465	1.911	2	112.0465	1.911	2	112.0465	1.911	2	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,5]	C[4,3x5]	O	4:4:4:2:	4:4:4:4:	4:4:	C[4,3x5]-4:C[5]-4:C[5]-4:O-2:	C[4,5]-4:C[4,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:Si-4:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi)	C[4,3x5](C[4,5]C[4]C[5]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2O)	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(OSi){1|C<3>,2|C<4>,7|H<1>}	C[4,3x5](C[4,5]C[4]C[5]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2O){12|H<1>,1|O<1>}	O(C[5,5]C[4,3x5]C[5]2)(SiC3)	113.0240	0.000	1	113.0240	0.000	1	112.0465	1.911	2	112.0465	1.911	2	112.0465	1.911	2	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,5]	C[4,5,5,6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[4,5,5,6,6]-4:C[4,5,5,6,6]-4:O-2:Cl-1:	C[4,4,5,3x6]-4:C[4,4,5,3x6]-4:C[5,5]-4:Br-1:	C[5,5]-4:C[5,5]-4:	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl)	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]ClO)(Br)	O(C[5,5]C[4,5,5,6,6]2Cl)2	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl){2|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]ClO)(Br){1|C<4>,4|H<1>}	O(C[5,5]C[4,5,5,6,6]2Cl)2	108.6225	0.173	2	108.6225	0.030	2	108.6225	0.030	2	113.9005	37.166	4	113.9005	37.166	4	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,5]	C[4,5,5,6,6]	O	4:4:2:1:	4:4:4:1:	4:4:	C[4,5,5,6,6]-4:C[4,5,5,6,6]-4:O-2:Cl-1:	C[4,4,5,3x6]-4:C[4,4,5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl)	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]ClO)(H)	O(C[5,5]C[4,5,5,6,6]2Cl)2	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2Br)(C[4,5,5,6,6]C[4,4,5,3x6]2H)(OC[5,5])(Cl){2|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]ClO)(H){1|Br<1>,1|C<4>,3|H<1>}	O(C[5,5]C[4,5,5,6,6]2Cl)2	119.1785	0.196	2	119.1785	0.038	2	119.1785	0.038	2	113.9005	37.166	4	113.9005	37.166	4	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,5]	C[4,5,5,6]	O	4:4:2:1:	4:3:4:4:	4:1:	C[4,5,5,6]-4:C[5,5]-4:O-2:H-1:	C[4,5,6]-4:C[4,5]-3:C[5,5]-4:C[6]-4:	C[5,5]-4:H-1:	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(OH)(H)	C[4,5,5,6](C[4,5,6]C[4,5,5]C[6]C)(C[4,5]C[4,5,5]O)(C[5,5]C[5,5]HO)(C[6]C[6]HH)	O(C[5,5]C[4,5,5,6]C[5,5]H)(H)	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(OH)(H){1|O<1>,3|C<4>,3|H<1>}	C[4,5,5,6](C[4,5,6]C[4,5,5]C[6]C)(C[4,5]C[4,5,5]O)(C[5,5]C[5,5]HO)(C[6]C[6]HH){1|C<4>,7|H<1>}	O(C[5,5]C[4,5,5,6]C[5,5]H)(H)	115.6580	0.000	1	115.6580	0.000	1	115.6580	0.000	1	115.6580	0.000	1	112.6258	6.477	4	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,5]	C[4,5,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4,5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:H-1:	C[5,5](C[4,5,5,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,5,6,6]C[5,6,6]2H)(OH)(H)	C[4,5,5,6](C[4,5,3x6]C[4,6,6]C[5,6,6]C[6])(C[4,5,6,6]C[4,6,6]C[5,6,6]H)(C[5,5]C[5,5,6,6]HO)(H)	O(C[5,5]C[4,5,5,6]C[5,5,6,6]H)(H)	C[5,5](C[4,5,5,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,5,6,6]C[5,6,6]2H)(OH)(H){1|Cl<1>,2|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,3x6]C[4,6,6]C[5,6,6]C[6])(C[4,5,6,6]C[4,6,6]C[5,6,6]H)(C[5,5]C[5,5,6,6]HO)(H){1|Cl<1>,2|C<4>,7|H<1>}	O(C[5,5]C[4,5,5,6]C[5,5,6,6]H)(H)	111.6150	1.894	3	111.6150	3.586	3	111.6150	3.586	3	111.6150	3.586	3	112.6258	6.477	4	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,6,6]	C[4,5,6,6]	O	4:4:2:1:	4:4:2:3:	4:1:	C[4,5,6,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[4,5,5,6]-4:C[5,6,6]-4:O[4,6]-2:C[6a]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]C[6a])(C[5,5,6,6]C[5,6,6]O[5,5]O)(OH)(H)	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]HO)(O[4,6]C[4,5,6,6])(C[6a]C[6a]2)	O(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)(H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]C[6a])(C[5,5,6,6]C[5,6,6]O[5,5]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]HO)(O[4,6]C[4,5,6,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)(H)	114.5420	0.000	1	114.5420	0.000	1	114.5420	0.000	1	114.5420	0.000	1	111.4560	19.047	2	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,6,6]	C[4,5,6,6]	O	4:4:3:2:	4:4:2:1:	4:1:	C[4,5,6,6]-4:C[5,5,6,6]-4:C[6a]-3:O-2:	C[4,5,5,6]-4:C[5,6,6]-4:O[4,6]-2:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH)	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6a]O)(O[4,6]C[4,5,6,6])(H)	O(C[5,6,6]C[4,5,6,6]C[5,5,6,6]C[6a])(H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6a]O)(O[4,6]C[4,5,6,6])(H){1|C<4>,1|O<2>,3|C<3>}	O(C[5,6,6]C[4,5,6,6]C[5,5,6,6]C[6a])(H)	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	111.4560	19.047	2	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,6,6]	C[4,6,6]	O	4:4:2:2:	4:4:4:1:	4:1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH)	C[4,6,6](C[5,6,6]C[5,6,6]O[5]O)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH){1|C<3>,4|C<4>,4|H<1>}	C[4,6,6](C[5,6,6]C[5,6,6]O[5]O)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,6]	C[4,4x5,6]	O	4:4:2:1:	4:4:4:4:	4:1:	C[4,4x5,6]-4:C[5,6]-4:O-2:H-1:	C[4,5,5,6,6]-4:C[4x5,6]-4:C[4,5]-4:C[5,6]-4:	C[5,6]-4:H-1:	C[5,6](C[4,4x5,6]C[4,5,5,6,6]C[4x5,6]C[4,5])(C[5,6]C[5,5,6,6]HH)(OH)(H)	C[4,4x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6,6]C)(C[4x5,6]C[5,5,6,6]C[5,5,6]C)(C[4,5]C[4,5,5,6]CH)(C[5,6]C[5,6]HO)	O(C[5,6]C[4,4x5,6]C[5,6]H)(H)	C[5,6](C[4,4x5,6]C[4,5,5,6,6]C[4x5,6]C[4,5])(C[5,6]C[5,5,6,6]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	C[4,4x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6,6]C)(C[4x5,6]C[5,5,6,6]C[5,5,6]C)(C[4,5]C[4,5,5,6]CH)(C[5,6]C[5,6]HO){1|O<1>,6|H<1>}	O(C[5,6]C[4,4x5,6]C[5,6]H)(H)	116.1170	0.000	1	116.1170	0.000	1	116.1170	0.000	1	116.1170	0.000	1	116.1170	0.000	1	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,6]	C[4,5,6]	O	4:2:2:2:	4:4:4:3:	4:4:	C[4,5,6]-4:O[5]-2:O[6]-2:O-2:	C[4,5]-4:C[4,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC)	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5,6]O[5]O[6]O)(COO)	O(C[5,6]C[4,5,6]O[5]O[6])(CH3)	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC){1|C<3>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5,6]O[5]O[6]O)(COO){1|O<1>,2|H<1>,3|C<4>}	O(C[5,6]C[4,5,6]O[5]O[6])(CH3)	110.0540	0.035	2	110.0540	0.001	2	110.0540	0.001	2	110.0540	0.001	2	114.2468	7.349	18	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,6]	C[4,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4,5,6]-4:C[5,6]-4:O-2:H-1:	C[4,5,6]-4:C[4,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[4,5,6]C[5,6]H)(H)	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H){1|Cl<1>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5,6]C[5,6]HO)(H){1|Cl<1>,1|C<3>,2|C<4>,7|H<1>}	O(C[5,6]C[4,5,6]C[5,6]H)(H)	108.3880	0.000	1	110.4083	3.124	3	110.4083	3.124	3	110.4083	3.124	3	114.2468	7.349	18	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,6]	C[4,5,6]	O	4:4:2:1:	4:4:4:1:	4:1:	C[4,5,6]-4:C[5,6]-4:O-2:H-1:	C[4,5,6]-4:C[4,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5,6]C[5,6]HO)(H)	O(C[5,6]C[4,5,6]C[5,6]H)(H)	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H){1|Cl<1>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5,6]C[5,6]HO)(H){1|Cl<1>,3|C<4>,7|H<1>}	O(C[5,6]C[4,5,6]C[5,6]H)(H)	111.4185	0.354	2	110.4083	3.124	3	110.4083	3.124	3	110.4083	3.124	3	114.2468	7.349	18	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,6]	C[4,5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[4,5,6]-4:C-3:O-2:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCH)(OH)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]CO)(H)	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCH)(OH){4|C<4>,4|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]CO)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(H)	116.0460	0.144	2	116.0460	0.021	2	116.0460	0.021	2	116.0657	0.012	3	114.2468	7.349	18	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,6]	C[4,5,6]	O	4:4:3:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[4,5,6]-4:C[6a]-3:O-2:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,5,6]H)(C[5,6]C[5,5,6,6]C[6a]O)(H)	O(C[5,6]C[5,5,6,6]C[4,5,6]C[6a])(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH){2|C<3>,4|C<4>,6|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,5,6]H)(C[5,6]C[5,5,6,6]C[6a]O)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,5,6,6]C[4,5,6]C[6a])(H)	116.1050	0.000	1	116.1050	0.000	1	116.1050	0.000	1	116.0657	0.012	3	114.2468	7.349	18	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,6]	C[4,5,6]	O	4:4:4:2:	4:4:4:1:	4:1:	C[5,5,6,6]-4:C[4,5,6]-4:C-4:O-2:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]CO)(H)	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH){4|C<4>,4|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]CO)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(H)	115.6913	0.972	10	115.6913	0.945	10	115.6913	0.945	10	115.6913	0.945	10	114.2468	7.349	18	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5,6]	C[4,6]	O	4:3:4:2:	4:3:4:4:	4:1:	C[4,6]-4:C[5,6]-3:C[5]-4:O-2:	C[5,6]-4:C[4,6]-3:C[4]-4:C-4:	C[5,6]-4:H-1:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH)	C[4,6](C[5,6]C[5,6]C[5]O)(C[4,6]C[4]C[6])(C[4]C[4]HH)(CH3)	O(C[5,6]C[4,6]C[5,6]C[5])(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[4,6](C[5,6]C[5,6]C[5]O)(C[4,6]C[4]C[6])(C[4]C[4]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[4,6]C[5,6]C[5])(H)	110.1770	0.000	1	110.1770	0.000	1	110.1770	0.000	1	110.1770	0.000	1	110.1770	0.000	1	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:2:2:1:	4:4:4:1:	4:4:	C[4,5]-4:O[5]-2:O-2:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(O[5]C[5])(OC)(H)	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]C[5]H)(C[5]O[5]HO)(H)	O(C[5]C[4,5]O[5]H)(CH3)	C[5](C[4,5]C[4,5,5]C[4,5]H)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>,3|C<4>}	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]C[5]H)(C[5]O[5]HO)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O(C[5]C[4,5]O[5]H)(CH3)	107.4680	0.000	1	107.4680	0.000	1	107.4680	0.000	1	107.4680	0.000	1	110.4314	11.877	21	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:3:2:1:	4:4:3:1:	4:1:	C[4,5]-4:C[5]-3:O-2:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(OH)(H)	C[4,5](C[4,5]C[5]N[4]C)(C[5]C[5]HO)(C[4]N[4]O)(H)	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[4,5](C[4,5]C[5]N[4]C)(C[5]C[5]HO)(C[4]N[4]O)(H){1|C<4>,2|H<1>}	O(C[5]C[4,5]C[5]H)(H)	113.7710	0.139	2	113.7710	0.019	2	113.7710	0.019	2	113.7710	0.019	2	110.4314	11.877	21	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:3:2:2:	4:4:3:4:	4:1:	C[4,5]-4:C[6a]-3:S[5]-2:O-2:	C[4,5]-4:C[5]-4:C[4]-3:C-4:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH)	C[4,5](C[4,5]C[6a]C[5]O[4])(C[5]C[6a]S[5]O)(C[4]O[4]O)(CH3)	O(C[5]C[4,5]C[6a]S[5])(H)	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[4,5](C[4,5]C[6a]C[5]O[4])(C[5]C[6a]S[5]O)(C[4]O[4]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	O(C[5]C[4,5]C[6a]S[5])(H)	103.9960	0.000	1	103.9960	0.000	1	103.9960	0.000	1	103.9960	0.000	1	110.4314	11.877	21	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:3:2:2:	4:4:4:1:	4:4:	C[4,5]-4:C[5]-3:O-2:O-2:	C[4,4]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]Cl)(OC)2	C[4,5](C[4,4]C[4,4]C[4]O)(C[4,5]C[4,4]C[5]O)(C[5]C[5]OO)(H)	O(C[5]C[4,5]C[5]O)(CH3)	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]Cl)(OC)2{1|Cl<1>,1|C<3>,1|C<4>,2|O<2>}	C[4,5](C[4,4]C[4,4]C[4]O)(C[4,5]C[4,4]C[5]O)(C[5]C[5]OO)(H){4|Cl<1>,1|C<3>}	O(C[5]C[4,5]C[5]O)(CH3)	110.5740	7.232	2	110.5740	52.306	2	110.5740	52.306	2	110.5740	52.306	2	110.4314	11.877	21	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:3:4:2:	4:4:4:1:	4:1:	C[4,5]-4:N[5]-3:C-4:O-2:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(CF3)(OH)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]N[5]CO)(H)	O(C[5]C[4,5]N[5]C)(H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(CF3)(OH){1|C<4>,1|O<1>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]N[5]CO)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[4,5]N[5]C)(H)	116.9280	0.000	1	116.9280	0.000	1	116.9280	0.000	1	116.9280	0.000	1	110.4314	11.877	21	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:N[4]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H)	C[4,5](C[4,5]C[4]O[5]H)(N[4]C[6a]C[4])(C[5]C[5]HO)(H)	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H){1|H<1>,4|C<3>}	C[4,5](C[4,5]C[4]O[5]H)(N[4]C[6a]C[4])(C[5]C[5]HO)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[5]C[4,5]C[5]H)(H)	110.2643	0.559	4	110.2643	0.312	4	109.8146	1.245	5	109.8146	1.245	5	110.4314	11.877	21	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:4:2:1:	4:3:4:1:	4:1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:N[4]-3:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H)	C[4,5](C[4,5]C[4]O[5]O)(N[4]C[6a]C[4])(C[5]C[5]HO)(H)	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H){1|O<2>,2|C<3>}	C[4,5](C[4,5]C[4]O[5]O)(N[4]C[6a]C[4])(C[5]C[5]HO)(H){1|O<1>,2|C<3>,2|H<1>}	O(C[5]C[4,5]C[5]H)(H)	108.0160	0.000	1	108.0160	0.000	1	109.8146	1.245	5	109.8146	1.245	5	110.4314	11.877	21	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:4:2:1:	4:3:4:1:	4:4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4]-4:N[4,5]-3:C[5]-4:H-1:	C[5]-4:C-4:	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]HH)(OC)(H)	C[4,5](C[4]C[6a]C[4]H)(N[4,5]C[4]C[5])(C[5]C[5]HO)(H)	O(C[5]C[4,5]C[5]H)(CC3)	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]HH)(OC)(H){2|C<3>,3|H<1>}	C[4,5](C[4]C[6a]C[4]H)(N[4,5]C[4]C[5])(C[5]C[5]HO)(H){1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[4,5]C[5]H)(CC3)	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	110.4314	11.877	21	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:4:2:1:	4:4:2:1:	4:1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:O[4]-2:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]O[4]H)(C[5]O[5]CH)(OH)(H)	C[4,5](C[4,5]N[5a]C[4]O[5])(C[5]C[5]HO)(O[4]C[4])(H)	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]O[4]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|N<3>}	C[4,5](C[4,5]N[5a]C[4]O[5])(C[5]C[5]HO)(O[4]C[4])(H){1|C<4>,2|C<3>,3|H<1>}	O(C[5]C[4,5]C[5]H)(H)	113.7280	0.000	1	113.7280	0.000	1	113.7280	0.000	1	113.7280	0.000	1	110.4314	11.877	21	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H)	C[4,5](C[4,5]C[4]O[5]H)(C[5]C[5]HO)(N[4]C[4]C)(H)	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[4,5](C[4,5]C[4]O[5]H)(C[5]C[5]HO)(N[4]C[4]C)(H){1|C<3>,1|H<1>,1|O<1>}	O(C[5]C[4,5]C[5]H)(H)	115.1000	0.000	1	115.1000	0.000	1	112.5550	12.954	2	112.5550	12.954	2	110.4314	11.877	21	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:4:2:1:	4:4:3:1:	4:1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H)	C[4,5](C[4,5]C[4]O[5]C)(C[5]C[5]HO)(N[4]C[4]C)(H)	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H){1|C<3>,2|C<4>}	C[4,5](C[4,5]C[4]O[5]C)(C[5]C[5]HO)(N[4]C[4]C)(H){1|O<1>,2|H<1>}	O(C[5]C[4,5]C[5]H)(H)	110.0100	0.000	1	110.0100	0.000	1	112.5550	12.954	2	112.5550	12.954	2	110.4314	11.877	21	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:4:2:1:	4:4:4:2:	4:1:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4]-4:C[4]-4:C[5]-4:O[5]-2:	C[5]-4:H-1:	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HO)(OH)(H)	C[4,5](C[4]N[4]HH)2(C[5]C[5]HO)(O[5]C[5])	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,5|H<1>}	C[4,5](C[4]N[4]HH)2(C[5]C[5]HO)(O[5]C[5]){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(C[5]C[4,5]C[5]H)(H)	107.2335	0.098	2	107.2335	0.010	2	107.2335	0.010	2	107.2335	0.010	2	110.4314	11.877	21	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:4:2:1:	4:4:4:2:	4:4:	C[5,5]-4:C[4,5]-4:O-2:H-1:	C[5]-4:C[4]-4:C[4]-4:O[5]-2:	C[5]-4:C-4:	C[5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]2O[5])(OC)(H)	C[4,5](C[5]C[5,5]HO)(C[4]S[4]CH)(C[4]S[4]HH)(O[5]C[5,5])	O(C[5]C[4,5]C[5,5]H)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]2O[5])(OC)(H){1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[4,5](C[5]C[5,5]HO)(C[4]S[4]CH)(C[4]S[4]HH)(O[5]C[5,5]){2|H<1>,2|O<2>}	O(C[5]C[4,5]C[5,5]H)(CC[6a]HH)	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	110.4314	11.877	21	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:4:4:2:	4:4:4:1:	4:1:	C[4,5]-4:C[5]-4:C-4:O-2:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(CH3)(OH)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HO)(C[5]C[5]CO)(H)	O(C[5]C[4,5]C[5]C)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(CH3)(OH){1|C<4>,2|O<2>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HO)(C[5]C[5]CO)(H){1|O<2>,5|H<1>}	O(C[5]C[4,5]C[5]C)(H)	107.5870	0.000	1	107.5870	0.000	1	107.5870	0.000	1	107.5870	0.000	1	110.4314	11.877	21	112.5616	13.767	59
474	478	893	0:SP3_SP3_SP3	C[5]	C[4,5]	O	4:4:4:2:	4:4:4:4:	4:1:	C[4,5]-4:C[5]-4:C-4:O-2:	C[4,5]-4:C[4]-4:C[5]-4:S-4:	C[5]-4:H-1:	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]HO)(CH3)(OH)	C[4,5](C[4,5]C[4]C[5]C)(C[4]C[4]HH)(C[5]C[5]CO)(SC[6a]OO)	O(C[5]C[4,5]C[5]C)(H)	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]HO)(CH3)(OH){2|C<4>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]C)(C[4]C[4]HH)(C[5]C[5]CO)(SC[6a]OO){1|O<2>,5|H<1>}	O(C[5]C[4,5]C[5]C)(H)	111.7790	0.000	1	111.7790	0.000	1	111.7790	0.000	1	111.7790	0.000	1	110.4314	11.877	21	112.5616	13.767	59
474	478	924	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	Br	4:4:4:1:	4:4:2:2:	4:	C[4,5,5,6]-4:C[5,5,6]-4:C[5,5]-4:Br-1:	C[3x5,6]-4:C[4,5,6]-4:O[4]-2:O[5]-2:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,6]O[4]O[5])(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]OO)(Br)	C[4,5,5,6](C[3x5,6]C[5,5,6]C[5,5]Br)(C[4,5,6]C[5,5,6]C[4]O)(O[4]C[4])(O[5]C[5])	Br(C[3x5,6]C[4,5,5,6]C[5,5,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,6]O[4]O[5])(C[5,5,6]C[5,6]C[5]H)(C[5,5]C[5,5,6]OO)(Br){1|Br<1>,1|O<2>,2|H<1>,3|C<4>}	C[4,5,5,6](C[3x5,6]C[5,5,6]C[5,5]Br)(C[4,5,6]C[5,5,6]C[4]O)(O[4]C[4])(O[5]C[5]){1|Br<1>,2|O<2>,3|C<4>,3|H<1>}	Br(C[3x5,6]C[4,5,5,6]C[5,5,6]C[5,5])	114.2710	0.000	1	114.2710	0.000	1	114.2710	0.000	1	114.2710	0.000	1	114.2710	0.000	1	110.4487	10.062	6
474	478	924	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	Br	4:4:4:1:	4:4:4:2:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:Br-1:	C[4,5,5,6]-4:C[5,5,6]-4:C[4]-4:O-2:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,5,6]C[4]O)(C[5,5]C[3x5,6]OO)(C[5,6]C[5,5,6]HH)(Br)	C[4,5,6](C[4,5,5,6]C[3x5,6]O[4]O[5])(C[5,5,6]C[5,5]C[5,6]Br)(C[4]O[4]HH)(OH)	Br(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,5,6]C[4]O)(C[5,5]C[3x5,6]OO)(C[5,6]C[5,5,6]HH)(Br){1|Br<1>,1|C<4>,2|O<2>,3|H<1>}	C[4,5,6](C[4,5,5,6]C[3x5,6]O[4]O[5])(C[5,5,6]C[5,5]C[5,6]Br)(C[4]O[4]HH)(OH){1|Br<1>,2|C<4>,2|H<1>,2|O<2>}	Br(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	113.0440	0.000	1	113.0440	0.000	1	113.0440	0.000	1	113.0440	0.000	1	113.0440	0.000	1	110.4487	10.062	6
474	478	924	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,6,6]	Br	4:4:3:1:	4:4:4:1:	4:	C[5,6,6]-4:C[4,6,6]-4:C[5]-3:Br-1:	C[4,5,6]-4:C[4,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4,6,6]C[4,5,6]2H)(C[5]C[5]O)(Br)	C[4,6,6](C[4,5,6]C[4,5,5]C[5]N[6])(C[4,5,6]C[4,5,5]C[5,6]C)(C[5,6,6]C[5,6,6]C[5]Br)(H)	Br(C[5,6,6]C[4,6,6]C[5,6,6]C[5])	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4,6,6]C[4,5,6]2H)(C[5]C[5]O)(Br){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[4,6,6](C[4,5,6]C[4,5,5]C[5]N[6])(C[4,5,6]C[4,5,5]C[5,6]C)(C[5,6,6]C[5,6,6]C[5]Br)(H){1|Br<1>,1|C<3>,1|O<1>,2|O<2>,3|H<1>,5|C<4>}	Br(C[5,6,6]C[4,6,6]C[5,6,6]C[5])	105.9630	0.000	1	105.9630	0.000	1	105.9630	0.000	1	105.9630	0.000	1	105.9630	0.000	1	110.4487	10.062	6
474	478	924	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	Br	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5,6]-4:Br-1:H-1:	C[4,6,6]-4:C[4,5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Br)(H)	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5,6]C[5,6]BrH)(CH3)	Br(C[5,6]C[4,5,6]C[5,6]H)	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Br)(H){1|C<3>,1|H<1>,4|C<4>}	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5,6]C[5,6]BrH)(CH3){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	Br(C[5,6]C[4,5,6]C[5,6]H)	111.5330	0.000	1	111.5330	0.000	1	111.5330	0.000	1	111.5330	0.000	1	111.5330	0.000	1	110.4487	10.062	6
474	478	924	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	Br	4:4:1:1:	4:4:4:4:	4:	C[4,5,5]-4:C[5]-4:Br-1:H-1:	C[4,5,5,6]-4:C[4,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]O[5]HO)(Br)(H)	C[4,5,5](C[4,5,5,6]C[5,5,6]C[4,6]C[5])(C[4,5]C[4,6]O[5]C)(C[5]C[5]BrH)(C[5]C[5]HH)	Br(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]O[5]HO)(Br)(H){2|H<1>,5|C<4>}	C[4,5,5](C[4,5,5,6]C[5,5,6]C[4,6]C[5])(C[4,5]C[4,6]O[5]C)(C[5]C[5]BrH)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	Br(C[5]C[4,5,5]C[5]H)	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	110.4487	10.062	6
474	478	924	0:SP3_SP-NON_SP3	C[5]	C[4,5]	Br	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:Br-1:H-1:	C[4,5]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(Br)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]BrH)(C[4]C[4]HH)(H)	Br(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(Br)(H){1|C<4>,5|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]BrH)(C[4]C[4]HH)(H){1|C<2>,2|O<2>,3|H<1>}	Br(C[5]C[4,5]C[5]H)	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	110.4487	10.062	6
474	478	930	0:SP3_SP2_SP3	C[3x5,6]	C[4,5,5,6]	C	4:4:2:3:	4:4:4:1:	4:2:1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-3:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:O-2:O-1:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(COO)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]C)(H)	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(OC)(O)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(COO){1|O<2>,3|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]C)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(OC)(O)	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[4x5,6,6]	C[4,3x5,6]	C	4:4:4:3:	4:4:4:4:	4:2:1:	C[4x5,6,6]-4:C[4,3x5,6]-4:C[5,5,6]-4:C-3:	C[4,3x5,6,6]-4:C[4x5,6,6]-4:C[4,5]-4:C-4:	C[4x5,6,6]-4:O-2:O-1:	C[4x5,6,6](C[4x5,6,6]C[3,5,5,6]C[4,3x5,6]H)(C[4,3x5,6]C[4,3x5,6,6]C[4,5]C)(C[5,5,6]C[3x5,6,6]CH)(COO)	C[4,3x5,6](C[4,3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[4x5,6,6]C[4x5,6,6]C[5,5,6]C)(C[4,5]C[4,3x5,6]C[6a]O)(CCHH)	C(C[4x5,6,6]C[4,3x5,6]C[4x5,6,6]C[5,5,6])(OC)(O)	C[4x5,6,6](C[4x5,6,6]C[3,5,5,6]C[4,3x5,6]H)(C[4,3x5,6]C[4,3x5,6,6]C[4,5]C)(C[5,5,6]C[3x5,6,6]CH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[4,3x5,6](C[4,3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[4x5,6,6]C[4x5,6,6]C[5,5,6]C)(C[4,5]C[4,3x5,6]C[6a]O)(CCHH){1|C<4>,3|C<3>,4|H<1>}	C(C[4x5,6,6]C[4,3x5,6]C[4x5,6,6]C[5,5,6])(OC)(O)	121.8780	0.000	1	121.8780	0.000	1	121.8780	0.000	1	121.8780	0.000	1	121.8780	0.000	1	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5,5,6]	C[4,5,5,6]	C	4:4:3:1:	4:4:4:1:	4:2:1:	C[4,5,5,6]-4:C[3x5,6]-4:C-3:H-1:	C[4,5,5,6]-4:C[5,5,6]-4:P[4,5]-4:H-1:	C[5,5,6]-4:O-2:O-1:	C[5,5,6](C[4,5,5,6]C[4,5,5,6]P[4,5]H)(C[3x5,6]C[4,3x5]C[5,6]C)(COO)(H)	C[4,5,5,6](C[4,5,5,6]C[4,3x5]C[5,6]C)(C[5,5,6]C[3x5,6]CH)(P[4,5]C[4,3x5]OW)(H)	C(C[5,5,6]C[4,5,5,6]C[3x5,6]H)(OC)(O)	C[5,5,6](C[4,5,5,6]C[4,5,5,6]P[4,5]H)(C[3x5,6]C[4,3x5]C[5,6]C)(COO)(H){1|C<3>,1|O<2>,1|W<6>,3|C<4>}	C[4,5,5,6](C[4,5,5,6]C[4,3x5]C[5,6]C)(C[5,5,6]C[3x5,6]CH)(P[4,5]C[4,3x5]OW)(H){1|C<3>,3|C<4>}	C(C[5,5,6]C[4,5,5,6]C[3x5,6]H)(OC)(O)	119.5590	0.000	1	119.5590	0.000	1	119.5590	0.000	1	119.5590	0.000	1	119.5590	0.000	1	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5,5,6]	C[4,5,6]	C	4:2:3:3:	4:4:4:1:	4:2:1:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:O-2:O-1:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]C)(H)	C(C[5,5,6]C[4,5,6]C[5,6]O[5,5])(OC)(O)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,2|C<4>,3|H<1>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C(C[5,5,6]C[4,5,6]C[5,6]O[5,5])(OC)(O)	115.1460	0.000	1	115.1460	0.000	1	115.1460	0.000	1	115.1460	0.000	1	115.1460	0.000	1	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5,6,6]	C[4,5,6,6]	C	4:4:3:1:	4:4:4:1:	4:2:1:	C[4,5,6,6]-4:C[5,5,6,6]-4:C-3:H-1:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:O-2:O-1:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5]H)(COO)(H)	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,5,6,6]C[5]C)(C[5,6,6]C[5,5,6,6]CH)(H)	C(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)(OC)(O)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5]H)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,5,6,6]C[5]C)(C[5,6,6]C[5,5,6,6]CH)(H){1|O<1>,2|C<4>,4|H<1>}	C(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)(OC)(O)	118.1490	0.000	1	118.1490	0.000	1	118.1490	0.000	1	118.1490	0.000	1	118.1490	0.000	1	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5,6]	C[4,5,6]	C	4:4:3:2:	4:4:4:1:	4:2:1:	C[5,5,6,6]-4:C[4,5,6]-4:C-3:O-2:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(COO)(OC)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]CO)(H)	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(OC)(O)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(COO)(OC){1|C<3>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]CO)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(OC)(O)	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	111.0660	2.596	3	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5,6]	C[4,5,6]	C	4:4:3:2:	4:4:4:1:	4:3:1:	C[5,5,6,6]-4:C[4,5,6]-4:C-3:O-2:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCH)(OH)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]CO)(H)	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CHH)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCH)(OH){4|C<4>,4|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]CO)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CHH)(H)	110.9520	2.261	2	110.9520	5.114	2	110.9520	5.114	2	110.9520	5.114	2	111.0660	2.596	3	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5]	C[4,5]	C	4:3:2:3:	4:4:4:3:	4:2:1:	C[4,5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[4]-4:C[5]-4:C[4]-3:	C[5]-4:O-2:O-1:	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[4,5](C[5]C[6a]O[5]C)(C[4]N[4]HH)(C[5]C[5]HH)(C[4]N[4]O)	C(C[5]C[4,5]C[6a]O[5])(OC)(O)	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[4,5](C[5]C[6a]O[5]C)(C[4]N[4]HH)(C[5]C[5]HH)(C[4]N[4]O){5|C<3>}	C(C[5]C[4,5]C[6a]O[5])(OC)(O)	108.7135	0.405	2	108.7135	0.164	2	108.7135	0.164	2	108.7135	0.164	2	111.8750	4.177	20	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5]	C[4,5]	C	4:3:3:1:	4:4:4:4:	4:2:1:	C[4,5]-4:N[5]-3:C-3:H-1:	C[4]-4:C[4]-4:C[5]-4:C[5]-4:	C[5]-4:O-2:O-1:	C[5](C[4,5]C[4]2C[5])(N[5]C[5]H)(COO)(H)	C[4,5](C[4]N[4]HH)2(C[5]C[5]CH)(C[5]N[5]CH)	C(C[5]C[4,5]N[5]H)(OC)(O)	C[5](C[4,5]C[4]2C[5])(N[5]C[5]H)(COO)(H){1|C<2>,1|C<3>,1|N<3>,6|H<1>}	C[4,5](C[4]N[4]HH)2(C[5]C[5]CH)(C[5]N[5]CH){2|C<3>,2|H<1>}	C(C[5]C[4,5]N[5]H)(OC)(O)	114.3960	4.001	2	114.3960	16.006	2	114.3960	16.006	2	114.3960	16.006	2	111.8750	4.177	20	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5]	C[4,5]	C	4:3:4:3:	4:4:2:4:	4:2:1:	C[4,5]-4:N[5]-3:C-4:C-3:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[5]-4:O-2:O-1:	C[5](C[4,5]C[4,5]O[4]C)(N[5]C[5]C)(CHHO)(COO)	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]CC)(O[4]C[4])(CH3)	C(C[5]C[4,5]N[5]C)(OC)(O)	C[5](C[4,5]C[4,5]O[4]C)(N[5]C[5]C)(CHHO)(COO){1|C<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]CC)(O[4]C[4])(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[4,5]N[5]C)(OC)(O)	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	111.8750	4.177	20	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5]	C[4,5]	C	4:4:3:1:	4:3:4:2:	4:2:1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[6a]-3:C[5]-4:O[4]-2:	C[5]-4:O-2:O-1:	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[4]C[4])	C(C[5]C[4,5]C[5]H)(OC)(O)	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)(H){3|C<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[4]C[4]){1|O<1>,2|C<3>,6|H<1>}	C(C[5]C[4,5]C[5]H)(OC)(O)	110.9467	2.030	3	110.9467	4.123	3	110.9467	4.123	3	110.9467	4.123	3	111.8750	4.177	20	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5]	C[4,5]	C	4:4:3:1:	4:4:3:1:	4:2:1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:O-2:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]ClH)(COO)(H)	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H)	C(C[5]C[4,5]C[5]H)(OC)(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]ClH)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H){3|Cl<1>,1|H<1>}	C(C[5]C[4,5]C[5]H)(OC)(O)	113.7050	0.000	1	113.7050	0.000	1	112.4667	1.317	9	112.4667	1.317	9	111.8750	4.177	20	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5]	C[4,5]	C	4:4:3:1:	4:4:3:1:	4:2:1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:O-2:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H)	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H)	C(C[5]C[4,5]C[5]H)(OH)(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H){2|Cl<1>,2|H<1>}	C(C[5]C[4,5]C[5]H)(OH)(O)	111.3910	0.000	1	112.3797	0.853	3	112.4667	1.317	9	112.4667	1.317	9	111.8750	4.177	20	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5]	C[4,5]	C	4:4:3:1:	4:4:3:1:	4:2:1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:O-2:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H)	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H)	C(C[5]C[4,5]C[5]H)(OH)(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H){4|H<1>}	C(C[5]C[4,5]C[5]H)(OH)(O)	112.8740	0.489	2	112.3797	0.853	3	112.4667	1.317	9	112.4667	1.317	9	111.8750	4.177	20	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5]	C[4,5]	C	4:4:3:1:	4:4:3:1:	4:2:1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:O-2:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H)	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H)	C(C[5]C[4,5]C[5]H)(OC)(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H){2|Cl<1>,1|H<1>,1|O<2>}	C(C[5]C[4,5]C[5]H)(OC)(O)	112.1980	1.577	3	112.1980	2.486	3	112.4667	1.317	9	112.4667	1.317	9	111.8750	4.177	20	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5]	C[4,5]	C	4:4:3:1:	4:4:3:1:	4:2:1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:O-2:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H)	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H)	C(C[5]C[4,5]C[5]H)(OH)(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H){2|Cl<1>,1|H<1>,1|O<2>}	C(C[5]C[4,5]C[5]H)(OH)(O)	112.3810	1.438	2	112.3810	2.069	2	112.4667	1.317	9	112.4667	1.317	9	111.8750	4.177	20	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5]	C[4,5]	C	4:4:3:1:	4:4:4:2:	4:3:1:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4]-4:C[4]-4:C[5]-4:S[5]-2:	C[5]-4:C[6a]-3:O-1:	C[5](C[4,5]C[4]2S[5])(C[5]C[5]CH)(CC[6a]O)(H)	C[4,5](C[4]C[4]CC)2(C[5]C[5]CH)(S[5]C[5])	C(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(O)	C[5](C[4,5]C[4]2S[5])(C[5]C[5]CH)(CC[6a]O)(H){1|C<3>,2|H<1>,4|C<4>}	C[4,5](C[4]C[4]CC)2(C[5]C[5]CH)(S[5]C[5]){1|C<4>,1|O<1>,3|H<1>}	C(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(O)	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	111.8750	4.177	20	112.8648	10.249	28
474	478	930	0:SP3_SP2_SP3	C[5]	C[4,5]	C	4:4:3:3:	4:4:3:1:	4:2:1:	C[4,5]-4:C[5]-4:C-3:C-3:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:O-2:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(COO)2	C[4,5](C[4,5]C[5]O[4]C)(C[5]C[5]CC)(C[4]O[4]O)(H)	C(C[5]C[4,5]C[5]C)(OC)(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(COO)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[5]O[4]C)(C[5]C[5]CC)(C[4]O[4]O)(H){4|H<1>}	C(C[5]C[4,5]C[5]C)(OC)(O)	110.8105	1.817	2	110.8105	3.300	2	110.8105	3.300	2	110.8105	3.300	2	111.8750	4.177	20	112.8648	10.249	28
474	478	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[4,3x5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[4,3x5,6]-4:C[5,5,3x6]-4:C[5,3x6]-4:H-1:	C[4,5,5,6,6]-4:C[3x5,3x6]-4:C[5,3x6]-4:O[4,5]-2:	C[3x5,3x6]-4:	C[3x5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[5,3x6]O[4,5])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,3x6]C[4,3x5,6]C[5,3x6]H)(H)	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,3x6]C[3x5,3x6]C[5,3x6]H)(O[4,5]C[4,5,5,6,6])	H(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]C[5,3x6])	C[3x5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[5,3x6]O[4,5])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,3x6]C[4,3x5,6]C[5,3x6]H)(H){1|O<2>,4|C<4>,6|H<1>}	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,3x6]C[3x5,3x6]C[5,3x6]H)(O[4,5]C[4,5,5,6,6]){6|C<4>,6|H<1>}	H(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]C[5,3x6])	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[4,5,5,3x6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,5,5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[4,4,5,6,6]-4:C[4,5,5,6]-4:C[3x5,3x6]-4:H-1:	C[3x5,3x6]-4:	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]H)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]C)(H)	C[4,5,5,3x6](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,6]H)(C[4,5,5,6]C[4,4,5,6,6]C[5,5]H)(C[3x5,3x6]C[3x5,3x6]C[5,5]H)(H)	H(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]C[5,5])	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]H)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]C)(H){1|C<3>,1|C<4>,4|H<1>}	C[4,5,5,3x6](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,6]H)(C[4,5,5,6]C[4,4,5,6,6]C[5,5]H)(C[3x5,3x6]C[3x5,3x6]C[5,5]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]C[5,5])	116.6310	0.000	1	116.6310	0.000	1	116.6310	0.000	1	116.6310	0.000	1	116.4565	0.061	2	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,3x6]	C[4,5,5,3x6]	H	4:4:3:1:	4:4:4:4:	4:	C[4,5,5,3x6]-4:C[3x5,3x6]-4:C[5,5]-3:H-1:	C[4,4,5,6,6]-4:C[4,5,5,6]-4:C[3x5,3x6]-4:C-4:	C[3x5,3x6]-4:	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]C)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]O)(H)	C[4,5,5,3x6](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,6]C[5])(C[4,5,5,6]C[4,4,5,6,6]C[5,5]C)(C[3x5,3x6]C[3x5,3x6]C[5,5]H)(CCCH)	H(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]C[5,5])	C[3x5,3x6](C[4,5,5,3x6]C[4,4,5,6,6]C[4,5,5,6]C)(C[3x5,3x6]C[4,5,5,3x6]C[5,5]H)(C[5,5]C[4,5,5,6]O)(H){1|O<1>,5|C<4>}	C[4,5,5,3x6](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,6]C[5])(C[4,5,5,6]C[4,4,5,6,6]C[5,5]C)(C[3x5,3x6]C[3x5,3x6]C[5,5]H)(CCCH){1|O<2>,2|H<1>,2|O<1>,4|C<4>}	H(C[3x5,3x6]C[4,5,5,3x6]C[3x5,3x6]C[5,5])	116.2820	0.000	1	116.2820	0.000	1	116.2820	0.000	1	116.2820	0.000	1	116.4565	0.061	2	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4,3x5,6,6]	H	4:4:4:1:	4:4:4:1:	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[4,3x5,6]-4:C[4,3x5,6]-4:H-1:	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[4,3x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[4,3x5,6]C[4x5,6,6]C[4,5]C)(C[4,3x5,6]C[4x5,6,6]C[4,5]H)(H)	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[4,3x5,6,6](C[3x5,6,6]C[3,5,5,6]C[5,5,6]H)(C[4,3x5,6]C[4x5,6,6]C[4,5]C)(C[4,3x5,6]C[4x5,6,6]C[4,5]H)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x5,6,6]C[4,3x5,6,6]C[3,5,5,6]C[5,5,6])	117.2730	0.000	1	117.2730	0.000	1	117.2730	0.000	1	117.2730	0.000	1	117.2730	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4,3x5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[3x5,6,6]-4:C[4,3x5,6]-4:C[5,6]-3:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[4,5,5,6]-4:C-4:	C[3x5,6,6]-4:	C[3x5,6,6](C[3x5,6,6]C[4,3x5,6]C[5,6]H)(C[4,3x5,6]C[4,5,5,6]2C)(C[5,6]C[5,6]C)(H)	C[4,3x5,6](C[3x5,6,6]C[3x5,6,6]C[5,6]H)(C[4,5,5,6]C[4,3x5,6]C[5,6]H)2(CC3)	H(C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]C[5,6])	C[3x5,6,6](C[3x5,6,6]C[4,3x5,6]C[5,6]H)(C[4,3x5,6]C[4,5,5,6]2C)(C[5,6]C[5,6]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[4,3x5,6](C[3x5,6,6]C[3x5,6,6]C[5,6]H)(C[4,5,5,6]C[4,3x5,6]C[5,6]H)2(CC3){1|C<3>,1|H<1>,4|C<4>}	H(C[3x5,6,6]C[3x5,6,6]C[4,3x5,6]C[5,6])	114.8140	0.025	2	114.8140	0.001	2	114.8140	0.001	2	114.8140	0.001	2	114.8140	0.001	2	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4,3x5]	H	4:4:4:1:	4:4:2:3:	4:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:O[4,5]-2:C[6a]-3:	C[3x5,6,6]-4:	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[3,6,6]H)(C[5,6,6]C[5,3x6]CH)(H)	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2)	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[3,6,6]H)(C[5,6,6]C[5,3x6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,6|H<1>}	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	115.5875	0.095	2	115.5875	0.009	2	115.5478	0.007	4	115.5413	0.006	6	115.5413	0.006	6	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4,3x5]	H	4:4:4:1:	4:4:2:3:	4:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:O[4,5]-2:C[6a]-3:	C[3x5,6,6]-4:	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[4,6,6]H)(C[5,6,6]C[5,3x6]CH)(H)	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2)	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[4,6,6]H)(C[5,6,6]C[5,3x6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,6|H<1>}	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	115.4590	0.000	1	115.4590	0.000	1	115.5478	0.007	4	115.5413	0.006	6	115.5413	0.006	6	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4,3x5]	H	4:4:4:1:	4:4:2:3:	4:	C[4,3x5]-4:C[5,5,3x6]-4:C[5,6,6]-4:H-1:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:O[4,5]-2:C[6a]-3:	C[3x5,6,6]-4:	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[6a]H)(H)	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2)	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	C[3x5,6,6](C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,5,3x6]C[4,5,5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[6a]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,6|H<1>}	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	115.5570	0.000	1	115.5570	0.000	1	115.5478	0.007	4	115.5413	0.006	6	115.5413	0.006	6	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6,6]	C[4,3x5]	H	4:4:4:1:	4:4:2:3:	4:	C[5,5,3x6]-4:C[4,3x5]-4:C[5,6,6]-4:H-1:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:O[4,5]-2:C[6a]-3:	C[3x5,6,6]-4:	C[3x5,6,6](C[5,5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,6,6]C[5,3x6]HH)(H)	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2)	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	C[3x5,6,6](C[5,5,3x6]C[4,5,5,6,6]C[4,5,3x6]H)(C[4,3x5]C[4,5,5,6,6]O[4,5]C[6a])(C[5,6,6]C[5,3x6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[4,3x5](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,6,6]C[5,5,3x6]C[5,6,6]H)(O[4,5]C[4,5,5,6,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	H(C[3x5,6,6]C[5,5,3x6]C[4,3x5]C[5,6,6])	115.5285	0.083	2	115.5285	0.007	2	115.5285	0.007	2	115.5413	0.006	6	115.5413	0.006	6	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,3x5,6]	H	4:4:2:1:	4:4:3:4:	4:	C[4,3x5,6]-4:C[5,5,6]-4:O[5,6]-2:H-1:	C[4,5,5,6,6]-4:C[3x5,6]-4:C[4,5]-3:C[6]-4:	C[3x5,6]-4:	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5]C[6])(C[5,5,6]C[4,5,5,6]HH)(O[5,6]C[5,6])(H)	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[3x5,6]C[5,5,6]O[5,6]H)(C[4,5]C[4,5,5,6]C)(C[6]C[6]HH)	H(C[3x5,6]C[4,3x5,6]C[5,5,6]O[5,6])	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5]C[6])(C[5,5,6]C[4,5,5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[3x5,6]C[5,5,6]O[5,6]H)(C[4,5]C[4,5,5,6]C)(C[6]C[6]HH){1|C<4>,1|O<1>,7|H<1>}	H(C[3x5,6]C[4,3x5,6]C[5,5,6]O[5,6])	120.6360	0.000	1	120.6360	0.000	1	120.6360	0.000	1	120.6360	0.000	1	118.5300	8.870	2	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,3x5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[4,3x5,6]-4:C[5,5,6]-4:O[5,6]-2:H-1:	C[4,5,5,6,6]-4:C[4,5,6]-4:C[3x5,6]-4:C[6]-4:	C[3x5,6]-4:	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[5,5,6]C[4,5,5,6,6]HH)(O[5,6]C[5,6])(H)	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[5,6]C[6])(C[4,5,6]C[4,5,5,6,6]O[6]H)(C[3x5,6]C[5,5,6]O[5,6]H)(C[6]C[6]HH)	H(C[3x5,6]C[4,3x5,6]C[5,5,6]O[5,6])	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[5,5,6]C[4,5,5,6,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[5,6]C[6])(C[4,5,6]C[4,5,5,6,6]O[6]H)(C[3x5,6]C[5,5,6]O[5,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[3x5,6]C[4,3x5,6]C[5,5,6]O[5,6])	116.4240	0.000	1	116.4240	0.000	1	116.4240	0.000	1	116.4240	0.000	1	118.5300	8.870	2	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,3x5]	H	4:4:2:1:	4:4:4:1:	4:	C[4,3x5]-4:C[5,5,6]-4:O[5,6]-2:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,3x5]C[4,5,5,6]C[4,5]H)(C[5,5,6]C[4,5,5,6]CC)(O[5,6]C[5,6])(H)	C[4,3x5](C[4,5,5,6]C[4,5,5,6]C[5,6]C)(C[3x5,6]C[5,5,6]O[5,6]H)(C[4,5]C[4,5,5,6]CH)(H)	H(C[3x5,6]C[4,3x5]C[5,5,6]O[5,6])	C[3x5,6](C[4,3x5]C[4,5,5,6]C[4,5]H)(C[5,5,6]C[4,5,5,6]CC)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[4,3x5](C[4,5,5,6]C[4,5,5,6]C[5,6]C)(C[3x5,6]C[5,5,6]O[5,6]H)(C[4,5]C[4,5,5,6]CH)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[3x5,6]C[4,3x5]C[5,5,6]O[5,6])	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]C[5,5]H)(H)	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]C[5,5]H)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	115.5210	0.000	1	115.5332	0.003	5	115.5332	0.003	5	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]C[5,5]H)(H)	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]C[5,5]H)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	115.5057	0.013	3	115.5332	0.003	5	115.5332	0.003	5	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]C[5,5]H)(H)	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]C[5,5]H)(H){2|C<4>,2|O<2>,5|H<1>}	H(C[3x5,6]C[3x5,6,6]C[4,5,5,6]C[5,5])	115.6280	0.000	1	115.5332	0.003	5	115.5332	0.003	5	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[4,5,6,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x5,6]C[5,5,3x6]C[5,5]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x5,6]C[5,5,3x6]C[5,5]H)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	115.4885	0.028	2	115.5240	0.002	4	115.5240	0.002	4	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[4,5,6,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x5,6]C[5,5,3x6]C[5,5]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x5,6]C[5,5,3x6]C[5,5]H)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	115.5400	0.000	1	115.5240	0.002	4	115.5240	0.002	4	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,3x6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[4,5,6,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x5,6]C[5,5,3x6]C[5,5]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|N<3>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[3x5,6]C[5,5,3x6]C[5,5]H)(H){2|C<4>,2|N<3>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,3x6]C[5,5])	115.5790	0.000	1	115.5240	0.002	4	115.5240	0.002	4	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	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[4,5,5,6]-4:C[4,5,6]-4:H-1:	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[4,5,5,6](C[3x5,6]C[5,5,6,6]C[3,5,5]H)(C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[4,5,6]C[4,5,6]2C[5,6])(H)	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[4,5,5,6](C[3x5,6]C[5,5,6,6]C[3,5,5]H)(C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[4,5,6]C[4,5,6]2C[5,6])(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[3,5,5])	115.7570	0.000	1	115.7570	0.000	1	115.7625	0.000	2	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	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[4,5,5,6]-4:C[4,5,6]-4:H-1:	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[4,5,5,6](C[3x5,6]C[5,5,6,6]C[3,5,5]H)(C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H)	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[4,5,5,6](C[3x5,6]C[5,5,6,6]C[3,5,5]H)(C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[3,5,5])	115.7680	0.000	1	115.7680	0.000	1	115.7625	0.000	2	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,3x6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,3x6]C[4,5,3x6]C[3x6]C[5,6])(C[4,5,5,6]C[4,5,3x6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[4,5,5,6](C[4,5,3x6]C[4,5,3x6]C[3x6]C[5,6])(C[4,5,5,6]C[4,5,3x6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.7520	0.000	1	115.7520	0.000	1	115.6515	0.111	4	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,3x6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,3x6]C[4,5,3x6]C[5,5,3x6]C[5,6])(C[4,5,5,6]C[4,5,3x6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[4,5,5,6](C[4,5,3x6]C[4,5,3x6]C[5,5,3x6]C[5,6])(C[4,5,5,6]C[4,5,3x6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.1650	0.000	1	115.1650	0.000	1	115.6515	0.111	4	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,3x6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,3x6]C[4,5,3x6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,3x6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[4,5,5,6](C[4,5,3x6]C[4,5,3x6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,3x6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.9200	0.000	1	115.9200	0.000	1	115.6515	0.111	4	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,3x6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,3x6]C[4,5,3x6]C[5,3x6]O[5,6])(C[4,5,5,6]C[4,5,3x6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,3x6]C[4,5,5,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[4,5,5,6](C[4,5,3x6]C[4,5,3x6]C[5,3x6]O[5,6])(C[4,5,5,6]C[4,5,3x6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H){1|C<3>,4|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.7690	0.000	1	115.7690	0.000	1	115.6515	0.111	4	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,5,6]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3230	0.000	1	115.3637	0.003	3	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,5,6]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,2|S<2>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|S<2>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3460	0.000	1	115.3637	0.003	3	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,5,6]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,5,6]H)(H){2|C<4>,2|O<2>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4220	0.000	1	115.3637	0.003	3	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]2C[5,6])(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]2C[5,6])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4110	0.105	3	115.4110	0.011	3	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]C)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4292	0.107	4	115.4292	0.011	4	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.2260	0.000	1	115.3497	0.159	27	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3920	0.117	6	115.3497	0.159	27	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.5980	0.190	3	115.3497	0.159	27	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3937	0.184	3	115.3497	0.159	27	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5]C[3x5,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.1030	0.000	1	115.3497	0.159	27	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5]C[3x5,6]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4183	0.096	3	115.3497	0.159	27	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5]C[3x5,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H){1|O<2>,3|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.1243	0.601	8	115.3497	0.159	27	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5]C[3x5,6]HH)(H){2|C<4>,6|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H){2|C<4>,7|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	116.1750	0.000	1	115.3497	0.159	27	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5]C[3x5,6]HH)(H){3|C<4>,5|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]H)(H){3|C<4>,6|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3620	0.000	1	115.3497	0.159	27	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5,6]-4:H-1:	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[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]O)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[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[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[4,5,5,6](C[4,5,5,6]C[3x5,6]C[4,5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,6]C[5,6]O)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.3450	0.000	1	115.3450	0.000	1	115.3639	0.114	38	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,6,6]C[4,5,6,6]C[5,5,6]C[5,6])(C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[4,5,5,6](C[4,5,6,6]C[4,5,6,6]C[5,5,6]C[5,6])(C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4760	0.000	1	115.4760	0.000	1	115.4700	0.045	6	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[4,5,5,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.5650	0.000	1	115.3932	0.036	4	115.4700	0.045	6	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[4,5,5,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.2780	0.223	2	115.3932	0.036	4	115.4700	0.045	6	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[4,5,5,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H){1|O<1>,5|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4520	0.000	1	115.3932	0.036	4	115.4700	0.045	6	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[5,5]-4:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,6,6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]O[5,6]H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[4,5,5,6](C[4,5,6,6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,6,6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.7710	0.000	1	115.7710	0.000	1	115.4700	0.045	6	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[5,6]C[5])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[5,6]C[5])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4870	0.000	1	115.4760	0.000	2	115.4760	0.000	2	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[4,5,5,6]-4:C[5,5]-4:H-1:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[5,6]C[5])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H)	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	C[3x5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(C[5,5]C[3x5,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[5,6]C[5])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[3x5,6]C[5,5,6,6]C[5,5]H)(H){1|C<3>,2|O<1>,3|C<4>,4|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6,6]C[5,5])	115.4650	0.000	1	115.4760	0.000	2	115.4760	0.000	2	115.4343	0.091	61	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5,6]	C[4,5,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[4,5,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[4,5,6]-4:C[4,5]-4:C[5]-3:	C[3x5,6]-4:	C[3x5,6](C[4,5,5,6]C[4,5,6]C[4,5]C[5])(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H)	C[4,5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[4,5,6]C[5,5,6]C[4,5]H)(C[4,5]C[4,5]C[5]H)(C[5]O[5]O)	H(C[3x5,6]C[4,5,5,6]C[5,5,6]C[5,5])	C[3x5,6](C[4,5,5,6]C[4,5,6]C[4,5]C[5])(C[5,5,6]C[5,6]O[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[4,5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[4,5,6]C[5,5,6]C[4,5]H)(C[4,5]C[4,5]C[5]H)(C[5]O[5]O){1|C<4>,2|C<3>,6|H<1>}	H(C[3x5,6]C[4,5,5,6]C[5,5,6]C[5,5])	116.0010	0.000	1	116.0010	0.000	1	116.0010	0.000	1	116.0010	0.000	1	115.4435	0.095	62	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5]	C[4,3x5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,3x5]-4:C[4,3x5]-4:H-1:H-1:	C[4,4,5,5]-4:C[4,5]-4:C[3x5]-4:H-1:	C[3x5]-4:	C[3x5](C[4,3x5]C[4,4,5,5]C[4,5]H)2(H)2	C[4,3x5](C[4,4,5,5]C[4,4,5,5]C[4,5]C)(C[4,5]C[4,4,5,5]HH)(C[3x5]C[4,3x5]HH)(H)	H(C[3x5]C[4,3x5]2H)	C[3x5](C[4,3x5]C[4,4,5,5]C[4,5]H)2(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[4,3x5](C[4,4,5,5]C[4,4,5,5]C[4,5]C)(C[4,5]C[4,4,5,5]HH)(C[3x5]C[4,3x5]HH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[3x5]C[4,3x5]2H)	112.8120	0.058	2	112.8120	0.003	2	112.7717	0.005	4	112.7717	0.005	4	112.7717	0.005	4	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[3x5]	C[4,3x5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,3x5]-4:C[4,3x5]-4:H-1:H-1:	C[4,4,5,5]-4:C[4,5]-4:C[3x5]-4:H-1:	C[3x5]-4:	C[3x5](C[4,3x5]C[4,4,5,5]C[4,5]H)2(H)2	C[4,3x5](C[4,4,5,5]C[4,4,5,5]C[4,5]H)(C[4,5]C[4,4,5,5]C[6a]O)(C[3x5]C[4,3x5]HH)(H)	H(C[3x5]C[4,3x5]2H)	C[3x5](C[4,3x5]C[4,4,5,5]C[4,5]H)2(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[4,3x5](C[4,4,5,5]C[4,4,5,5]C[4,5]H)(C[4,5]C[4,4,5,5]C[6a]O)(C[3x5]C[4,3x5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[3x5]C[4,3x5]2H)	112.7315	0.066	2	112.7315	0.004	2	112.7717	0.005	4	112.7717	0.005	4	112.7717	0.005	4	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[4x5,6,6]	C[4,3x5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,3x5,6]-4:C[4x5,6,6]-4:C[3,5,5,6]-4:H-1:	C[4,3x5,6,6]-4:C[4x5,6,6]-4:C[4,5]-4:H-1:	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[4,3x5,6](C[4,3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[4x5,6,6]C[3,5,5,6]C[4x5,6,6]H)(C[4,5]C[4,3x5,6]C[6a]O)(H)	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[4,3x5,6](C[4,3x5,6,6]C[3x5,6,6]C[4,3x5,6]H)(C[4x5,6,6]C[3,5,5,6]C[4x5,6,6]H)(C[4,5]C[4,3x5,6]C[6a]O)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[4x5,6,6]C[3,5,5,6]C[4,3x5,6]C[4x5,6,6])	117.1820	0.000	1	117.1820	0.000	1	117.1820	0.000	1	117.1820	0.000	1	117.1820	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,3x5,6]	H	4:4:4:1:	4:4:4:2:	4:	C[4,3x5,6]-4:C[3x5,3x6]-4:C[5,3x6]-4:H-1:	C[4,5,5,6,6]-4:C[3x5,3x6]-4:C[5,3x6]-4:O[4,5]-2:	C[5,3x6]-4:	C[5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,3x6]O[4,5])(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(H)	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,3x6]C[3x5,3x6]C[5,3x6]H)(O[4,5]C[4,5,5,6,6])	H(C[5,3x6]C[3x5,3x6]C[4,3x5,6]C[5,3x6])	C[5,3x6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,3x6]O[4,5])(C[3x5,3x6]C[4,3x5,6]C[5,5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[6,6]H)(H){1|O<2>,6|C<4>,6|H<1>}	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[5,3x6]H)(C[3x5,3x6]C[5,5,3x6]C[5,3x6]H)(C[5,3x6]C[3x5,3x6]C[5,3x6]H)(O[4,5]C[4,5,5,6,6]){6|C<4>,6|H<1>}	H(C[5,3x6]C[3x5,3x6]C[4,3x5,6]C[5,3x6])	112.9370	0.000	1	112.9370	0.000	1	112.9370	0.000	1	112.9370	0.000	1	112.9370	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[5,6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,5,6]-4:C[5,3x6]-4:O[5,6]-2:	C[5,3x6]-4:	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[5,5,3x6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(O[5,6]C[5,5,6,6])	H(C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]C[5,6,6])	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[5,5,3x6]C[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(O[5,6]C[5,5,6,6]){1|O<1>,6|C<4>,7|H<1>}	H(C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]C[5,6,6])	112.2640	0.000	1	112.2640	0.000	1	112.2640	0.000	1	112.4670	0.082	2	112.4670	0.082	2	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[5,6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,3x6]-4:O[5,6]-2:	C[5,3x6]-4:	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[5,5,3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(O[5,6]C[5,3x6])	H(C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]C[5,6,6])	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[5,5,3x6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(O[5,6]C[5,3x6]){1|O<1>,6|C<4>,7|H<1>}	H(C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]C[5,6,6])	112.6700	0.000	1	112.6700	0.000	1	112.6700	0.000	1	112.4670	0.082	2	112.4670	0.082	2	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[5,6,6]-4:H-1:	C[4,3x5]-4:C[4,5,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H)	C[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[4,5,3x6]C[5,6,6]H)(H)	H(C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]C[5,6,6])	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[4,5,3x6]C[5,6,6]H)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]C[5,6,6])	112.3690	0.000	1	112.3690	0.000	1	112.4790	0.024	2	112.2457	0.058	7	112.2457	0.058	7	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[5,6,6]-4:H-1:	C[4,3x5]-4:C[4,5,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H)	C[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[4,5,3x6]C[5,6,6]H)(H)	H(C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]C[5,6,6])	C[5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]HH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[4,5,3x6]C[5,6,6]H)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,5,6,6]C[4,5,3x6]C[5,6,6])	112.5890	0.000	1	112.5890	0.000	1	112.4790	0.024	2	112.2457	0.058	7	112.2457	0.058	7	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,5,6,6]	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[4,3x5]-4:C[4,5,5,6,6]-4:C[5,3x6]-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[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[3,6,6]C[5,6,6]H)(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[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[3,6,6]C[5,6,6]H)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,3x6]C[4,5,5,6,6]C[3,6,6]C[5,6,6])	112.1215	0.118	2	112.1215	0.014	2	112.1215	0.014	2	112.2457	0.058	7	112.2457	0.058	7	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[4,6,6]-4:C[5,6,6]-4:H-1:	C[4,3x5]-4:C[4,5,5,6,6]-4:C[5,3x6]-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[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[3x5,6,6]CH)(H)	C[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[4,6,6]C[5,6,6]H)(H)	H(C[5,3x6]C[4,5,5,6,6]C[4,6,6]C[5,6,6])	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[3x5,6,6]CH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[4,6,6]C[5,6,6]H)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,3x6]C[4,5,5,6,6]C[4,6,6]C[5,6,6])	112.4770	0.000	1	112.4770	0.000	1	112.4770	0.000	1	112.2457	0.058	7	112.2457	0.058	7	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[4,3x5,6]-4:C[4,5,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]H)(C[5,3x6]C[3x5,3x6]C[4,3x5,6]H)(C[6,6]C[6,6]HH)(H)	C[4,5,5,6,6](C[4,3x5,6]C[3x5,3x6]C[5,3x6]O[4,5])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]H)(C[5,3x6]C[3x5,3x6]C[4,3x5,6]H)(C[6,6]C[6,6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,3x5,6]C[3x5,3x6]C[5,3x6]O[4,5])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){4|C<4>,6|H<1>}	H(C[5,3x6]C[4,5,5,6,6]C[5,3x6]C[6,6])	112.1170	0.000	1	112.1170	0.000	1	112.1170	0.000	1	112.2457	0.058	7	112.2457	0.058	7	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[4,3x5]-4:C[4,5,5,6,6]-4:C[5,3x6]-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[5,6,6]C[3x5,6,6]C[6a]H)(C[6,6]C[6,6]HH)(H)	C[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[5,6,6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[5,6,6]C[3x5,6,6]C[6a]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[4,5,5,6,6](C[4,3x5]C[3x5,6,6]O[4,5]C[6a])(C[4,5,5,6,6]C[5,5,3x6]O[4,5]H)(C[5,3x6]C[5,6,6]C[6,6]H)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,3x6]C[4,5,5,6,6]C[5,6,6]C[6,6])	111.9250	0.000	1	111.9250	0.000	1	111.9250	0.000	1	112.2457	0.058	7	112.2457	0.058	7	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[3,6,6]C[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[3,6,6]C[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){1|C<2>,1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.0310	0.000	1	110.0310	0.000	1	109.9910	0.084	16	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){1|C<2>,1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.0747	0.162	3	110.0747	0.026	3	109.9910	0.084	16	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[5,5,3x6]C[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]C)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[5,5,3x6]C[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){1|C<2>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.9740	0.000	1	109.9740	0.000	1	109.9910	0.084	16	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[3,6,6]C[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[3,6,6]C[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.7890	0.000	1	109.7890	0.000	1	109.9910	0.084	16	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.5005	0.576	2	110.3263	0.257	3	109.9910	0.084	16	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[3x6]C[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.9780	0.000	1	110.3263	0.257	3	109.9910	0.084	16	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.7600	0.055	3	109.8340	0.024	4	109.9910	0.084	16	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.0560	0.000	1	109.8340	0.024	4	109.9910	0.084	16	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[5,3x6]O[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[5,3x6]O[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.7660	0.000	1	109.7660	0.000	1	109.9910	0.084	16	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[5,6,6]O[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[5,6,6]O[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.7370	0.000	1	109.8785	0.040	2	109.9910	0.084	16	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,3x6]-4:C[6,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[5,6,6]O[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,3x6]C[5,3x6]O[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,3x6]C[4,5,3x6]C[5,6,6]O[5,6])(C[4,5,6,6]C[4,5,3x6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.0200	0.000	1	109.8785	0.040	2	109.9910	0.084	16	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,6,6]-4:C[6,6]-4:H-1:	C[5,3x6]-4:C[4,5]-4:C[4,6,6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[4,5,6,6]C[4,6,6]C[4,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[4,5]C[6a]C[5]O[4])(C[4,6,6]C[3x6]O[4]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[4,5,6,6]C[4,6,6]C[4,5]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[4,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[4,5]C[6a]C[5]O[4])(C[4,6,6]C[3x6]O[4]H)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,6,6]C[6,6])	110.4080	0.000	1	110.4080	0.000	1	110.4080	0.000	1	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){1|C<2>,1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.2700	0.000	1	110.2200	0.011	4	110.0635	0.021	12	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){1|C<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.1490	0.000	1	110.2200	0.011	4	110.0635	0.021	12	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]C)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){1|C<2>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.2305	0.156	2	110.2200	0.011	4	110.0635	0.021	12	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.0210	0.018	2	110.0210	0.000	2	110.0635	0.021	12	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.0390	0.000	1	110.0390	0.000	1	110.0635	0.021	12	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){1|C<3>,5|C<4>,5|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.8800	0.000	1	109.9762	0.013	4	110.0635	0.021	12	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.8890	0.000	1	109.9762	0.013	4	110.0635	0.021	12	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){2|C<3>,4|C<4>,5|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	110.0680	0.066	2	109.9762	0.013	4	110.0635	0.021	12	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,3x6]-4:C[4,5,6,6]-4:C[6,6]-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]O[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H)	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	C[5,3x6](C[5,3x6]C[5,3x6]O[5,6]H)(C[4,5,6,6]C[4,5,6,6]2H)(C[6,6]C[6,6]HH)(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]O[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,3x6]C[5,3x6]C[6,6]H)(H){2|C<4>,3|C<3>,5|H<1>}	H(C[5,3x6]C[4,5,6,6]C[5,3x6]C[6,6])	109.8960	0.000	1	109.8960	0.000	1	110.0635	0.021	12	110.0354	0.059	29	110.0354	0.059	29	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,3x6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[4,6,6]-4:C[5,6,6]-4:H-1:	C[5,3x6]-4:C[4,6,6]-4:C[4]-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[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[3x5,6,6]CH)(H)	C[4,6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[4,6,6]C[5,5,3x6]C[4]H)(C[4]C[3]C[4]H)(H)	H(C[5,3x6]C[4,5,5,6,6]C[4,6,6]C[5,6,6])	C[5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5]H)(C[4,6,6]C[4,6,6]C[4]H)(C[5,6,6]C[3x5,6,6]CH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[4,6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[4,6,6]C[5,5,3x6]C[4]H)(C[4]C[3]C[4]H)(H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,3x6]C[4,5,5,6,6]C[4,6,6]C[5,6,6])	112.5640	0.000	1	112.5640	0.000	1	112.5640	0.000	1	112.5640	0.000	1	112.5640	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[4,5,3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[4,5,3x6]-4:C[5,5,3x6]-4:C[4,5,5,6]-4:C[5,6]-3:	C[5,5,3x6]-4:	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(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)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[5,3x6]O[5,6])(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,5,3x6])	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(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)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,5,6]C[5,3x6]O[5,6])(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O){1|O<2>,6|C<4>,6|H<1>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,5,3x6])	111.9520	0.000	1	111.9520	0.000	1	111.9520	0.000	1	112.1275	0.062	2	112.1275	0.062	2	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[4,5,3x6]	H	4:4:4:1:	4:4:4:3:	4:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[4,5,3x6]-4:C[5,5,3x6]-4:C[4,5,6,6]-4:C[5,6]-3:	C[5,5,3x6]-4:	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(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)(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[5,3x6]O[5,6])(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,5,3x6])	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(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)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[5,3x6]O[5,6])(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O){1|C<2>,1|O<2>,5|H<1>,6|C<4>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,5,3x6])	112.3030	0.000	1	112.3030	0.000	1	112.3030	0.000	1	112.1275	0.062	2	112.1275	0.062	2	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[4,5,5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[5,5,3x6]-4:C[4,5,5,6,6]-4:O[4,5]-2:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(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)(H)	C[4,5,5,6,6](C[5,5,3x6]C[3x5,6,6]C[4,5,3x6]H)(C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(O[4,5]C[4,3x5])(H)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,5,3x6])	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,5,6]C[5,6])(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)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[4,5,5,6,6](C[5,5,3x6]C[3x5,6,6]C[4,5,3x6]H)(C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(O[4,5]C[4,3x5])(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,5,3x6])	112.0020	0.000	1	112.0020	0.000	1	112.1605	0.050	2	111.7568	0.121	6	111.7568	0.121	6	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[4,5,5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5,3x6]-4:C[4,5,5,6,6]-4:C[3x5,6,6]-4:H-1:	C[5,5,3x6]-4:C[4,5,5,6,6]-4:O[4,5]-2:H-1:	C[5,5,3x6]-4:	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(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)(H)	C[4,5,5,6,6](C[5,5,3x6]C[3x5,6,6]C[4,5,3x6]H)(C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(O[4,5]C[4,3x5])(H)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,5,3x6])	C[5,5,3x6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]C[5,6])(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)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[4,5,5,6,6](C[5,5,3x6]C[3x5,6,6]C[4,5,3x6]H)(C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(O[4,5]C[4,3x5])(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,5,3x6])	112.3190	0.000	1	112.3190	0.000	1	112.1605	0.050	2	111.7568	0.121	6	111.7568	0.121	6	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[4,5,5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5,5,6,6]-4:C[3x5,3x6]-4:C[6,6]-4:H-1:	C[4,5,5,6,6]-4:C[5,5,3x6]-4:O[4,5]-2: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[3x5,3x6]C[4,3x5,6]C[5,3x6]H)(C[6,6]C[6,6]HH)(H)	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5,6]C[5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[6,6]H)(O[4,5]C[4,3x5,6])(H)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]C[6,6])	C[5,5,3x6](C[4,5,5,6,6]C[4,5,5,6,6]O[4,5]H)(C[3x5,3x6]C[4,3x5,6]C[5,3x6]H)(C[6,6]C[6,6]HH)(H){3|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5,6]C[5,3x6]H)(C[5,5,3x6]C[3x5,3x6]C[6,6]H)(O[4,5]C[4,3x5,6])(H){3|C<4>,4|H<1>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]C[6,6])	111.6710	0.000	1	111.6710	0.000	1	111.6710	0.000	1	111.7568	0.121	6	111.7568	0.121	6	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[4,5,5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[3,6,6]-4:H-1:	C[4,5,5,6,6]-4:C[5,5,3x6]-4:O[4,5]-2: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[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[3,6,6]H)(O[4,5]C[4,3x5])(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[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[3,6,6]H)(O[4,5]C[4,3x5])(H){1|C<3>,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])	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	111.7568	0.121	6	111.7568	0.121	6	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[4,5,5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[4,6,6]-4:H-1:	C[4,5,5,6,6]-4:C[5,5,3x6]-4:O[4,5]-2: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[4,6,6]C[4,6,6]C[4]H)(H)	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[4,6,6]H)(O[4,5]C[4,3x5])(H)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,6,6])	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[4,6,6]C[4,6,6]C[4]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[4,6,6]H)(O[4,5]C[4,3x5])(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,6,6])	111.4990	0.000	1	111.4990	0.000	1	111.4990	0.000	1	111.7568	0.121	6	111.7568	0.121	6	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[4,5,5,6,6]	H	4:4:4:1:	4:4:2:1:	4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[6,6]-4:H-1:	C[4,5,5,6,6]-4:C[5,5,3x6]-4:O[4,5]-2: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[6,6]C[6,6]HH)(H)	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[6,6]H)(O[4,5]C[4,3x5])(H)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[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[6,6]C[6,6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5]C[5,3x6]H)(C[5,5,3x6]C[3x5,6,6]C[6,6]H)(O[4,5]C[4,3x5])(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[6,6])	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	111.7568	0.121	6	111.7568	0.121	6	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,3x6]	C[4,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[4,6,6]-4:H-1:	C[5,5,3x6]-4:C[4,6,6]-4:C[4]-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[4,6,6]C[4,6,6]C[4]H)(H)	C[4,6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,6,6]C[5,3x6]C[4]H)(C[4]C[4]CH)(H)	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,6,6])	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[4,6,6]C[4,6,6]C[4]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[4,6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[4,6,6]C[5,3x6]C[4]H)(C[4]C[4]CH)(H){1|O<2>,4|C<4>,4|H<1>}	H(C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]C[4,6,6])	111.5410	0.000	1	111.5410	0.000	1	111.5410	0.000	1	111.5410	0.000	1	111.5410	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6,6]	C[4,5,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:C[5]-4:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:C[4,5,6]-4:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5]C[5]CH)(H)	C[4,5,5,6,6](C[4,5,5,6]C[4,5,6,6]C[5,5]H)(C[5,5,6,6]C[5,5,6,6]C[5]H)(C[4,5,6]C[4,5,6,6]C[5]C)(H)	H(C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]C[5])	C[5,5,6,6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,5,5,6]C[4,5,6,6]C[5,5]H)(C[5,5,6,6]C[5,5,6,6]C[5]H)(C[4,5,6]C[4,5,6,6]C[5]C)(H){1|O<1>,2|C<4>,5|H<1>}	H(C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]C[5])	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1	110.3360	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[4,5,5,6,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6,6]-4:C[4,5,6]-4:C[5,5,6]-4:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5,6]C[5,6]C[6])(C[4,5,6]C[4,3x5,6]O[6]H)(C[5,5,6]C[3x5,6]HH)(C[6]O[6]O)	H(C[5,5,6]C[4,5,5,6,6]C[3x5,6]H)	C[5,5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5,6]C[5,6]C[6])(C[4,5,6]C[4,3x5,6]O[6]H)(C[5,5,6]C[3x5,6]HH)(C[6]O[6]O){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,5,6]C[4,5,5,6,6]C[3x5,6]H)	113.8290	4.101	2	113.8290	16.820	2	113.8290	16.820	2	113.8290	16.820	2	113.8290	16.820	2	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,5,6]	H	4:4:1:1:	4:4:3:1:	4:	C[4,5,5,6]-4:C[3x5,6]-4:H-1:H-1:	C[4,5,5,6,6]-4:C[5,5,6]-4:C[4,5]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5]H)(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2	C[4,5,5,6](C[4,5,5,6,6]C[4,3x5,6]C[5,6]C[6])(C[5,5,6]C[3x5,6]HH)(C[4,5]C[4,3x5,6]C)(H)	H(C[5,5,6]C[4,5,5,6]C[3x5,6]H)	C[5,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5]H)(C[3x5,6]C[4,3x5,6]O[5,6]H)(H)2{2|C<3>,2|C<4>}	C[4,5,5,6](C[4,5,5,6,6]C[4,3x5,6]C[5,6]C[6])(C[5,5,6]C[3x5,6]HH)(C[4,5]C[4,3x5,6]C)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,5,6]C[4,5,5,6]C[3x5,6]H)	112.6150	3.643	2	112.6150	13.272	2	112.6150	13.272	2	112.6150	13.272	2	109.9757	27.534	3	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[3x5,6]-4:C-3:H-1:	C[4,5,5,6]-4:C[5,5,6]-4:P[4,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,5,6]C[4,5,5,6]P[4,5]H)(C[3x5,6]C[4,3x5]C[5,6]C)(COO)(H)	C[4,5,5,6](C[4,5,5,6]C[4,3x5]C[5,6]C)(C[5,5,6]C[3x5,6]CH)(P[4,5]C[4,3x5]OW)(H)	H(C[5,5,6]C[4,5,5,6]C[3x5,6]C)	C[5,5,6](C[4,5,5,6]C[4,5,5,6]P[4,5]H)(C[3x5,6]C[4,3x5]C[5,6]C)(COO)(H){1|C<3>,1|O<2>,1|W<6>,3|C<4>}	C[4,5,5,6](C[4,5,5,6]C[4,3x5]C[5,6]C)(C[5,5,6]C[3x5,6]CH)(P[4,5]C[4,3x5]OW)(H){1|C<3>,3|C<4>}	H(C[5,5,6]C[4,5,5,6]C[3x5,6]C)	104.6970	0.000	1	104.6970	0.000	1	104.6970	0.000	1	104.6970	0.000	1	109.9757	27.534	3	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,5]	H	4:4:4:1:	4:4:2:4:	4:	C[4,5,5]-4:C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6]-4:C[4,5]-4:O[4,5]-2:C-4:	C[5,5,6]-4:	C[5,5,6](C[4,5,5]C[4,5]O[4,5]C)(C[5,5,6]C[4,5,5]C[6]H)(C[6]C[6]HH)(H)	C[4,5,5](C[5,5,6]C[5,5,6]C[6]H)(C[4,5]C[4,5,5]OO)(O[4,5]C[4,5,5])(CHHO)	H(C[5,5,6]C[4,5,5]C[5,5,6]C[6])	C[5,5,6](C[4,5,5]C[4,5]O[4,5]C)(C[5,5,6]C[4,5,5]C[6]H)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,4|H<1>}	C[4,5,5](C[5,5,6]C[5,5,6]C[6]H)(C[4,5]C[4,5,5]OO)(O[4,5]C[4,5,5])(CHHO){3|C<4>,3|H<1>}	H(C[5,5,6]C[4,5,5]C[5,5,6]C[6])	110.4555	0.378	2	110.4555	0.143	2	110.4555	0.143	2	110.4555	0.143	2	110.4555	0.143	2	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4,6]-4:C[6]-4:	C[5,5,6]-4:	C[5,5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	C[4,5,6,6](C[4,5,6]C[5,5,3x6]C[4]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[4,6]C[4]C[6]H)(C[6]C[6]HH)	H(C[5,5,6]C[4,5,6,6]C[5,5,6]C[5,6])	C[5,5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	C[4,5,6,6](C[4,5,6]C[5,5,3x6]C[4]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[4,6]C[4]C[6]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[5,5,6]C[4,5,6,6]C[5,5,6]C[5,6])	114.3563	0.361	3	114.3563	0.130	3	114.3563	0.130	3	114.3563	0.130	3	114.3563	0.130	3	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	3:4:3:1:	4:4:2:1:	4:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:H-1:	C[5,5,6]-4:C[4,5,6]-4:O[4]-2:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]O[4]H)(C[5,5]C[5,5,6]C)(H)	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4,5]H)(O[4]C[4,5])(H)	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]O[4]H)(C[5,5]C[5,5,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4,5]H)(O[4]C[4,5])(H){1|H<1>,5|C<3>}	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	116.7080	0.000	1	116.7080	0.000	1	116.7080	0.000	1	116.7080	0.000	1	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H)	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H)	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H){3|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	116.0270	0.000	1	116.0655	0.003	2	116.0655	0.003	2	116.0655	0.003	2	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	3:4:4:1:	4:4:3:1:	4:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H)	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H)	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	116.1040	0.000	1	116.0655	0.003	2	116.0655	0.003	2	116.0655	0.003	2	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:2:3:1:	4:4:3:1:	4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,6]O[5,5]H)(C[4]C[4]O)(H)	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,6]O[5,5]H)(C[4]C[4]O)(H){1|C<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	115.4670	0.000	1	115.4670	0.000	1	115.4670	0.000	1	115.4670	0.000	1	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]H)(H)	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	115.1935	0.036	2	115.2830	0.025	3	115.2830	0.025	3	115.2630	0.018	4	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]H)(H)	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	115.4620	0.000	1	115.2830	0.025	3	115.2830	0.025	3	115.2630	0.018	4	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:2:3:1:	4:4:4:1:	4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,6]O[5,5]H)(C[4]C[4]HH)(H)	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,5|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,6]O[5,5]H)(C[4]C[4]HH)(H){1|C<3>,1|O<1>,2|H<1>}	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	115.2030	0.000	1	115.2030	0.000	1	115.2030	0.000	1	115.2630	0.018	4	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:2:3:1:	4:4:4:3:	4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4,5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4,5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[4,5]C[4,5]C[5]H)(COO)	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4,5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[4,5]C[4,5]C[5]H)(COO){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	114.9140	0.000	1	114.9140	0.000	1	114.9660	0.005	2	114.9660	0.005	2	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:2:3:1:	4:4:4:3:	4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4,5]-4:C-3:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4,5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[4,5]C[4,5]N[5]H)(COO)	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4,5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[4,5]C[4,5]N[5]H)(COO){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5,6]C[4,5,6]C[5,6]O[5,5])	115.0180	0.000	1	115.0180	0.000	1	114.9660	0.005	2	114.9660	0.005	2	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:3:2:1:	4:4:3:1:	4:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[4,5,6,6]-4:C[5,5,6]-4:C[4,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6,6])(H)	C[4,5,6](C[4,5,6,6]C[5,5,6,6]C[4,6a]C[6])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[4,6a]C[4,6a]C[6a])(H)	H(C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])	C[5,5,6](C[4,5,6]C[4,5,6,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6,6])(H){1|H<1>,6|C<3>}	C[4,5,6](C[4,5,6,6]C[5,5,6,6]C[4,6a]C[6])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[4,6a]C[4,6a]C[6a])(H){2|H<1>,6|C<3>}	H(C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])	115.0050	0.000	1	115.0050	0.000	1	115.0050	0.000	1	115.0050	0.000	1	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:3:3:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[4,5]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]C)(H)	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]O[4]H)(C[4,5]C[5,6a]C[5]O[4])(H)	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]H)(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[4,5,6]C[5,5,6]O[4]H)(C[4,5]C[5,6a]C[5]O[4])(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])	116.8560	0.000	1	116.8560	0.000	1	116.8560	0.000	1	116.8560	0.000	1	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:2:1:	4:4:3:1:	4:	C[3x5,6,6]-4:C[4,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(H)	C[4,5,6](C[5,5,6]C[3x5,6,6]O[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H)	H(C[5,5,6]C[3x5,6,6]C[4,5,6]O[5,5])	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[4,5,6](C[5,5,6]C[3x5,6,6]O[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[5,5,6]C[3x5,6,6]C[4,5,6]O[5,5])	114.2158	0.103	11	114.2158	0.011	11	114.2158	0.011	11	114.2158	0.011	11	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]N[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]N[4]O)(H)	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|N<3>,1|O<1>,3|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]N[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]N[4]O)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	116.3670	0.000	1	116.3670	0.000	1	116.3135	0.006	2	116.3197	0.003	3	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]C[6a]C[4])(H)	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(H){2|C<3>,4|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]C[6a]C[4])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	116.2600	0.000	1	116.2600	0.000	1	116.3135	0.006	2	116.3197	0.003	3	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:N[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(N[4]C[4]C)(H)	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]N[4]H)(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[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(N[4]C[4]C)(H){1|C<3>,1|O<1>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	116.3320	0.000	1	116.3320	0.000	1	116.3320	0.000	1	116.3197	0.003	3	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,5]C[5,6]H)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	116.2685	0.155	4	116.2685	0.024	4	116.2685	0.024	4	116.2685	0.024	4	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6]-4:C[4,5,6]-4:C[5,5]-4:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4,6a]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)2(C[5,5]C[5,5,6]HH)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4,6a]H)(C[5,5,6]C[4,5,6]C[5,5]H)(C[4,6a]C[4,6a]C[6a])(H)	H(C[5,5,6]C[4,5,6]2C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)2(C[5,5]C[5,5,6]HH)(H){3|H<1>,4|C<3>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4,6a]H)(C[5,5,6]C[4,5,6]C[5,5]H)(C[4,6a]C[4,6a]C[6a])(H){2|C<4>,3|C<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]2C[5,5])	115.1500	0.034	3	115.1500	0.001	3	115.1500	0.001	3	115.1085	0.052	21	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[4,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H)	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]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>,3|C<3>,3|H<1>}	C[4,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	114.9945	0.197	2	115.1703	0.054	4	115.1703	0.054	4	115.1085	0.052	21	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[4,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H)	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[4,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	115.3460	0.025	2	115.1703	0.054	4	115.1703	0.054	4	115.1085	0.052	21	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]C[4]C)(H)	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]C[4]C)(H){2|C<3>,5|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	115.1740	0.000	1	115.0818	0.017	6	115.0188	0.032	12	115.1085	0.052	21	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]C[4]C)(H)	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,2|C<3>,3|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]C[4]C)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	115.0540	0.000	1	115.0818	0.017	6	115.0188	0.032	12	115.1085	0.052	21	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]C[4]C)(H)	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]C[4]C)(H){1|C<3>,1|C<4>,5|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	115.0657	0.158	4	115.0818	0.017	6	115.0188	0.032	12	115.1085	0.052	21	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]C[6a]C[4])(H)	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]C[6a]C[4])(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	115.0122	0.177	5	115.0122	0.031	5	115.0188	0.032	12	115.1085	0.052	21	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]C[6a]C[4])(H)	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HO)(H){2|C<3>,4|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,5]C[5,6]H)(C[4]C[6a]C[4])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	114.6740	0.000	1	114.6740	0.000	1	115.0188	0.032	12	115.1085	0.052	21	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[4,5,6]-4:N[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(H)	C[4,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(N[4]C[4]N)(H)	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(H){1|N<2>,1|N<3>,3|C<4>,3|H<1>}	C[4,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(N[4]C[4]N)(H){1|C<7>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	115.1870	0.000	1	115.4605	0.150	2	115.4605	0.150	2	115.1085	0.052	21	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5,6]-4:C[4,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[4,5,6]-4:N[4]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(H)	C[4,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(N[4]C[4]N)(H)	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[4,5,6]C[4,5,6]N[4]H)(C[5,5]C[5,5,6]HH)(H){1|N<2>,1|N<3>,3|C<4>,3|H<1>}	C[4,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(N[4]C[4]N)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	115.7340	0.000	1	115.4605	0.150	2	115.4605	0.150	2	115.1085	0.052	21	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[4,6]-4:C[5,6]-3:C[4]-4:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[4,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[4,6]C[4]C[6]2)(C[5,6]C[5,5,6]O)(C[4]C[4]HH)	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[4,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[4,6]C[4]C[6]2)(C[5,6]C[5,5,6]O)(C[4]C[4]HH){1|O<1>,3|C<4>,9|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	114.7850	0.000	1	114.7850	0.000	1	114.7850	0.000	1	114.7850	0.000	1	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[4]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[4,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[4,5,6]C[5,5,6]N[4]H)(C[4]C[3x3]N[4]C)(H)	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){1|C<7>,3|C<4>,3|H<1>,3|N<3>}	C[4,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[4,5,6]C[5,5,6]N[4]H)(C[4]C[3x3]N[4]C)(H){1|F<1>,1|F<3>,1|N<2>,2|C<4>,4|F<2>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	116.1500	0.000	1	116.1500	0.000	1	115.8895	0.136	2	115.5763	0.177	4	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5,5,6]-4:C[5,5]-4:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[4]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H)	C[4,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[4,5,6]C[5,5,6]N[4]H)(C[4]N[4]CC)(H)	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(H){3|H<1>,3|N<3>,4|C<4>}	C[4,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[4,5,6]C[5,5,6]N[4]H)(C[4]N[4]CC)(H){1|N<2>,2|C<4>,4|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5,6]C[5,5])	115.6290	0.000	1	115.6290	0.000	1	115.8895	0.136	2	115.5763	0.177	4	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]C)(C[4,5,6]C[4,5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	C[5,5,6](C[4,5,6]C[4,5,6]2H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]C)(C[4,5,6]C[4,5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(H){3|C<3>,3|C<4>,5|H<1>}	H(C[5,5,6]C[4,5,6]C[5,5]C[5,6])	115.2630	0.064	2	115.2630	0.004	2	115.2630	0.004	2	115.5763	0.177	4	115.2130	0.517	56	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5,6]	C[4,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:C[4,5]-4:H-1:	C[5,5,6]-4:C[4,5]-4:C[4]-4:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(C[4,5]C[4,5]C[4]H)(H)	C[4,5](C[5,5,6]C[5,5,6]2H)(C[4,5]C[4]O[5]C)(C[4]C[4]HH)(H)	H(C[5,5,6]C[5,5,6]2C[4,5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(C[4,5]C[4,5]C[4]H)(H){1|O<2>,3|C<4>,4|H<1>}	C[4,5](C[5,5,6]C[5,5,6]2H)(C[4,5]C[4]O[5]C)(C[4]C[4]HH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,5,6]C[5,5,6]2C[4,5])	111.9965	0.264	2	111.9965	0.070	2	111.9965	0.070	2	111.9965	0.070	2	111.9965	0.070	2	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,3x5]	H	4:4:4:1:	4:4:4:4:	4:	C[4,3x5]-4:C[5]-4:C[5]-4:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H)	C[4,3x5](C[4,5]C[4]C[5]H)2(C[5,5]C[5]2C)(C[5,5]C[5]2H)	H(C[5,5]C[4,3x5]C[5]2)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H){2|C<3>,2|C<4>,6|H<1>}	C[4,3x5](C[4,5]C[4]C[5]H)2(C[5,5]C[5]2C)(C[5,5]C[5]2H){12|H<1>}	H(C[5,5]C[4,3x5]C[5]2)	116.6570	0.000	1	116.6570	0.000	1	110.8510	67.419	2	110.8510	67.419	2	110.8510	67.419	2	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,3x5]	H	4:4:4:1:	4:4:4:4:	4:	C[4,3x5]-4:C[5]-4:C[5]-4:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:C[5,5]-4:	C[5,5]-4:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H)	C[4,3x5](C[4,5]C[4]C[5]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2O)	H(C[5,5]C[4,3x5]C[5]2)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[4,3x5](C[4,5]C[4]C[5]H)2(C[5,5]C[5]2H)(C[5,5]C[5]2O){12|H<1>,1|O<1>}	H(C[5,5]C[4,3x5]C[5]2)	105.0450	0.000	1	105.0450	0.000	1	110.8510	67.419	2	110.8510	67.419	2	110.8510	67.419	2	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,5,6,6]-4:C[4,5,5,6,6]-4:H-1:H-1:	C[4,4,5,3x6]-4:C[4,4,5,3x6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2H)(C[4,5,5,6,6]C[4,4,5,3x6]2O)(H)2	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]HH)(H)	H(C[5,5]C[4,5,5,6,6]2H)	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2H)(C[4,5,5,6,6]C[4,4,5,3x6]2O)(H)2{2|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]HH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5,5]C[4,5,5,6,6]2H)	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	112.6660	0.001	3	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5,6,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,5,5,6,6]-4:C[4,5,5,6,6]-4:H-1:H-1:	C[4,4,5,3x6]-4:C[4,4,5,3x6]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2H)(C[4,5,5,6,6]C[4,4,5,3x6]2O)(H)2	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]HH)(OS)	H(C[5,5]C[4,5,5,6,6]2H)	C[5,5](C[4,5,5,6,6]C[4,4,5,3x6]2H)(C[4,5,5,6,6]C[4,4,5,3x6]2O)(H)2{2|C<4>,4|H<1>}	C[4,5,5,6,6](C[4,4,5,3x6]C[4,4,5,3x6]C[3x4,6]H)2(C[5,5]C[4,5,5,6,6]HH)(OS){1|C<4>,4|H<1>}	H(C[5,5]C[4,5,5,6,6]2H)	112.6475	0.009	2	112.6475	0.000	2	112.6475	0.000	2	112.6475	0.000	2	112.6660	0.001	3	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[4,5,5,6,6]-4:C[4,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5,6]C[4,5,5,6,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6,6]H)(H)2	C[4,5,5,6](C[4,5,5,6,6]C[5,5,6,6]C[4,5,6]H)(C[4,5,6,6]C[4,5,6]C[5,6,6]H)(C[5,5]C[5,5,6,6]HH)(H)	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	C[5,5](C[4,5,5,6]C[4,5,5,6,6]C[4,5,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,6,6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6,6]C[5,5,6,6]C[4,5,6]H)(C[4,5,6,6]C[4,5,6]C[5,6,6]H)(C[5,5]C[5,5,6,6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	112.7375	0.025	2	112.7375	0.001	2	112.7375	0.001	2	112.7375	0.001	2	111.5201	1.054	10	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:H-1:H-1:	P[4,5,6,6]-4:P[4,5,6,6]-4:C[5,5]-4:C[6a]-3:	C[5,5]-4:	C[5,5](C[4,5,5,6]P[4,5,6,6]2C[6a])(C[5,5,6,6]S[5,6,6]2C[6a])(H)2	C[4,5,5,6](P[4,5,6,6]S[5,6,6]S[4,6]S)2(C[5,5]C[5,5,6,6]HH)(C[6a]C[6a]2)	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	C[5,5](C[4,5,5,6]P[4,5,6,6]2C[6a])(C[5,5,6,6]S[5,6,6]2C[6a])(H)2{1|S<2>,2|S<1>,4|C<3>}	C[4,5,5,6](P[4,5,6,6]S[5,6,6]S[4,6]S)2(C[5,5]C[5,5,6,6]HH)(C[6a]C[6a]2){2|H<1>,3|C<3>}	H(C[5,5]C[4,5,5,6]C[5,5,6,6]H)	110.1965	0.281	2	110.1965	0.079	2	110.1965	0.079	2	110.9985	0.884	4	111.5201	1.054	10	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5,6]	H	4:4:1:1:	4:4:4:3:	4:	C[4,5,5,6]-4:C[5,5]-4:H-1:H-1:	C[4,5,6]-4:C[4,5]-4:C[5,5]-4:C[6]-3:	C[5,5]-4:	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(H)2	C[4,5,5,6](C[4,5,6]C[4,5,5]C[6]H)(C[4,5]C[4,5,5]CH)(C[5,5]C[5,5]HH)(C[6]C[6]O)	H(C[5,5]C[4,5,5,6]C[5,5]H)	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(H)2{1|C<2>,1|O<1>,2|C<4>,3|H<1>}	C[4,5,5,6](C[4,5,6]C[4,5,5]C[6]H)(C[4,5]C[4,5,5]CH)(C[5,5]C[5,5]HH)(C[6]C[6]O){1|C<4>,7|H<1>}	H(C[5,5]C[4,5,5,6]C[5,5]H)	111.8005	0.036	2	111.8005	0.001	2	111.8005	0.001	2	110.9985	0.884	4	111.5201	1.054	10	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5,6]	H	4:4:2:1:	4:3:4:4:	4:	C[4,5,5,6]-4:C[5,5]-4:O-2:H-1:	C[4,5,6]-4:C[4,5]-3:C[5,5]-4:C[6]-4:	C[5,5]-4:	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(OH)(H)	C[4,5,5,6](C[4,5,6]C[4,5,5]C[6]C)(C[4,5]C[4,5,5]O)(C[5,5]C[5,5]HO)(C[6]C[6]HH)	H(C[5,5]C[4,5,5,6]C[5,5]O)	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(OH)(H){1|O<1>,3|C<4>,3|H<1>}	C[4,5,5,6](C[4,5,6]C[4,5,5]C[6]C)(C[4,5]C[4,5,5]O)(C[5,5]C[5,5]HO)(C[6]C[6]HH){1|C<4>,7|H<1>}	H(C[5,5]C[4,5,5,6]C[5,5]O)	112.8060	0.000	1	112.8060	0.000	1	112.8060	0.000	1	112.8060	0.000	1	111.5201	1.054	10	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,5,6,6]C[5,6,6]2H)(OH)(H)	C[4,5,5,6](C[4,5,3x6]C[4,6,6]C[5,6,6]C[6])(C[4,5,6,6]C[4,6,6]C[5,6,6]H)(C[5,5]C[5,5,6,6]HO)(H)	H(C[5,5]C[4,5,5,6]C[5,5,6,6]O)	C[5,5](C[4,5,5,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,5,6,6]C[5,6,6]2H)(OH)(H){1|Cl<1>,2|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,3x6]C[4,6,6]C[5,6,6]C[6])(C[4,5,6,6]C[4,6,6]C[5,6,6]H)(C[5,5]C[5,5,6,6]HO)(H){1|Cl<1>,2|C<4>,7|H<1>}	H(C[5,5]C[4,5,5,6]C[5,5,6,6]O)	110.9753	0.345	3	110.9753	0.119	3	110.9753	0.119	3	110.9753	0.119	3	111.5201	1.054	10	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:F-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2F)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(F)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2F)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(F){2|C<3>}	H(C[5,5]C[4,5,5]N[5,5]H)	112.4905	0.019	2	112.4905	0.000	2	112.4905	0.000	2	112.5087	0.319	24	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]BrH)2(C[5,5]N[5,5]HH)(H)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{2|Br<1>,3|H<1>}	C[4,5,5](C[4,5]C[4,5,5]BrH)2(C[5,5]N[5,5]HH)(H){1|C<4>,1|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	114.2530	0.519	2	114.2530	0.269	2	112.5103	0.350	22	112.5087	0.319	24	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(C[5,5]N[5,5]HH)(H)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(C[5,5]N[5,5]HH)(H){1|C<3>,1|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	112.4094	0.135	11	112.4094	0.018	11	112.5103	0.350	22	112.5087	0.319	24	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)(C[4,5]C[4,5,5]HN)(C[5,5]N[5,5]HH)(H)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|N<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)(C[4,5]C[4,5,5]HN)(C[5,5]N[5,5]HH)(H){1|C<3>,1|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	112.2507	0.107	8	112.2507	0.011	8	112.5103	0.350	22	112.5087	0.319	24	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(H)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(H){2|C<3>}	H(C[5,5]C[4,5,5]N[5,5]H)	112.2120	0.000	1	112.2120	0.000	1	112.5103	0.350	22	112.5087	0.319	24	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2C)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(CH3)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2C)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(CH3){2|C<3>}	H(C[5,5]C[4,5,5]N[5,5]H)	111.9620	0.037	2	111.9620	0.001	2	111.9620	0.001	2	111.9620	0.001	2	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:3:3:1:	4:4:2:4:	4:	C[4,5,5]-4:C[5,6a]-3:C[5]-3:H-1:	C[5,5]-4:C[4,5]-4:O[5]-2:C[4]-4:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[4,5,5](C[5,5]C[5,6a]C[5]H)(C[4,5]C[4]N[5]H)(O[5]C[5,6a])(C[4]C[4]HH)	H(C[5,5]C[4,5,5]C[5,6a]C[5])	C[5,5](C[4,5,5]C[4,5]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[4,5,5](C[5,5]C[5,6a]C[5]H)(C[4,5]C[4]N[5]H)(O[5]C[5,6a])(C[4]C[4]HH){1|C<3>,1|N<2>,1|O<1>,3|H<1>}	H(C[5,5]C[4,5,5]C[5,6a]C[5])	115.2320	0.000	1	115.2320	0.000	1	115.2320	0.000	1	115.2320	0.000	1	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:4:1:1:	4:3:4:1:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5,6]-4:C[4,5]-3:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HO)(H)2	C[4,5,5](C[4,5,6]C[4,5,5,6]C[6]C)(C[4,5]C[4,5,5,6]O)(C[5,5]C[5,5]HH)(H)	H(C[5,5]C[4,5,5]C[5,5]H)	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HO)(H)2{1|O<1>,3|C<4>}	C[4,5,5](C[4,5,6]C[4,5,5,6]C[6]C)(C[4,5]C[4,5,5,6]O)(C[5,5]C[5,5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,5]C[4,5,5]C[5,5]H)	113.0545	1.493	2	113.0545	2.228	2	113.0545	2.228	2	113.0545	2.228	2	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5,6]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HH)(H)2	C[4,5,5](C[4,5,6]C[4,5,5,6]C[6]H)(C[4,5]C[4,5,5,6]CH)(C[5,5]C[5,5]HH)(H)	H(C[5,5]C[4,5,5]C[5,5]H)	C[5,5](C[4,5,5]C[4,5,6]C[4,5]H)(C[5,5]C[4,5,5,6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[4,5,5](C[4,5,6]C[4,5,5,6]C[6]H)(C[4,5]C[4,5,5,6]CH)(C[5,5]C[5,5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[5,5]C[4,5,5]C[5,5]H)	111.7270	0.571	2	111.7270	0.326	2	111.7270	0.326	2	111.9578	0.060	17	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]CH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]C[5,5]HH)(H)	H(C[5,5]C[4,5,5]C[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]CH)(H)2{1|O<2>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]C[5,5]HH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[5,5]C[4,5,5]C[5,5]H)	111.8770	0.014	2	111.8770	0.000	2	111.8386	0.083	5	111.9578	0.060	17	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]CC)(C[4,5]C[4,5,5]HH)(C[5,5]C[5,5]HH)(H)	H(C[5,5]C[4,5,5]C[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[4,5,5](C[4,5]C[4,5,5]CC)(C[4,5]C[4,5,5]HH)(C[5,5]C[5,5]HH)(H){3|H<1>}	H(C[5,5]C[4,5,5]C[5,5]H)	111.8130	0.403	3	111.8130	0.163	3	111.8386	0.083	5	111.9578	0.060	17	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,5]-4:N[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(H)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2{1|C<2>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(H){1|C<2>,2|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	112.0325	0.029	2	112.0635	0.002	10	112.0635	0.002	10	111.9578	0.060	17	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,5]-4:N[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(H)	H(C[5,5]C[4,5,5]N[5,5]H)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2{1|C<4>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(H){1|C<4>,2|H<1>}	H(C[5,5]C[4,5,5]N[5,5]H)	112.0713	0.045	8	112.0635	0.002	10	112.0635	0.002	10	111.9578	0.060	17	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[4,5,5]-4:C[5]-4:O[5]-2:H-1:	C[4,5,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]C[5]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,5]C[4,5,5]C[5]O[5])	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,4|H<1>}	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[5,5]C[4,5,5]C[5]O[5])	112.6810	0.000	1	112.6810	0.000	1	112.6810	0.000	1	112.3475	0.222	2	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:4:2:1:	4:4:4:1:	4:	C[4,5,5]-4:C[5]-4:O[5]-2:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[4,5,5](C[4,5]C[4]C[5]C)(C[4,5]C[4]C[5]H)(C[5,5]C[5]O[5]H)(H)	H(C[5,5]C[4,5,5]C[5]O[5])	C[5,5](C[4,5,5]C[4,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[4,5,5](C[4,5]C[4]C[5]C)(C[4,5]C[4]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<1>,6|H<1>}	H(C[5,5]C[4,5,5]C[5]O[5])	112.0140	0.000	1	112.0140	0.000	1	112.0140	0.000	1	112.3475	0.222	2	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,5]-4:C[5]-4:C[5]-4:H-1:	C[4,5,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)2(H)	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]C[5]H)(C[5,5]C[5]2H)(H)	H(C[5,5]C[4,5,5]C[5]2)	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)2(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]C[5]H)(C[5,5]C[5]2H)(H){1|O<1>,1|O<2>,2|C<4>,8|H<1>}	H(C[5,5]C[4,5,5]C[5]2)	111.0675	0.313	4	111.0675	0.098	4	111.0675	0.098	4	111.0675	0.098	4	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[4,5,5]-4:C[5,5]-4:C-4:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:O-2:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]2O)(C[5,5]C[4,5,5]HH)(CCHH)(H)	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]C[5,5]CH)(OH)	H(C[5,5]C[4,5,5]C[5,5]C)	C[5,5](C[4,5,5]C[4,5]2O)(C[5,5]C[4,5,5]HH)(CCHH)(H){5|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]C[5,5]CH)(OH){3|H<1>}	H(C[5,5]C[4,5,5]C[5,5]C)	109.5830	0.000	1	109.5830	0.000	1	109.5830	0.000	1	109.9195	0.226	2	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[4,5,5]-4:C[5]-4:C[5]-4:H-1:	C[4,5]-4:C[5,5]-4:C[5]-4:O[4]-2:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]C[5]O[4])(C[5]C[5]CC)(C[5]C[5]HH)(H)	C[4,5,5](C[4,5]C[4]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(O[4]C[4])	H(C[5,5]C[4,5,5]C[5]2)	C[5,5](C[4,5,5]C[4,5]C[5]O[4])(C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<3>,7|H<1>}	C[4,5,5](C[4,5]C[4]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(O[4]C[4]){1|O<1>,2|C<3>,6|H<1>}	H(C[5,5]C[4,5,5]C[5]2)	110.2560	0.000	1	110.2560	0.000	1	110.2560	0.000	1	109.9195	0.226	2	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5,5]	H	4:4:4:1:	4:4:4:3:	4:	C[4,5,5]-4:C[5]-4:C[5]-4:H-1:	C[4,5]-4:C[5,5]-4:C[5]-4:C[4]-3:	C[5,5]-4:	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[5]O[5]HH)(C[5]S[5]CC)(H)	C[4,5,5](C[4,5]C[6a]C[4]S[5])(C[5,5]C[5]2H)(C[5]O[5]HH)(C[4]C[4]H)	H(C[5,5]C[4,5,5]C[5]2)	C[5,5](C[4,5,5]C[4,5]C[4]C[5])(C[5]O[5]HH)(C[5]S[5]CC)(H){2|C<3>,3|H<1>}	C[4,5,5](C[4,5]C[6a]C[4]S[5])(C[5,5]C[5]2H)(C[5]O[5]HH)(C[4]C[4]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,5]C[4,5,5]C[5]2)	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	112.1312	0.872	55	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5]	H	4:3:4:1:	4:4:4:3:	4:	C[4,5]-4:N[5,5]-3:C[5]-4:H-1:	C[4,5]-4:C[4,6]-4:C[5,5]-4:C-3:	C[5,5]-4:	C[5,5](C[4,5]C[4,5]C[4,6]C)(N[5,5]C[5]O[5])(C[5]C[5]HH)(H)	C[4,5](C[4,5]C[4,6]O[5]Cl)(C[4,6]C[4,6]C[6]H)(C[5,5]N[5,5]C[5]H)(COO)	H(C[5,5]C[4,5]N[5,5]C[5])	C[5,5](C[4,5]C[4,5]C[4,6]C)(N[5,5]C[5]O[5])(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,5|H<1>}	C[4,5](C[4,5]C[4,6]O[5]Cl)(C[4,6]C[4,6]C[6]H)(C[5,5]N[5,5]C[5]H)(COO){4|C<4>,5|H<1>}	H(C[5,5]C[4,5]N[5,5]C[5])	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	110.4564	0.850	5	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5]	H	4:4:2:1:	4:4:3:1:	4:	C[4,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[4,5]-4:N[4]-3:H-1:	C[5,5]-4:	C[5,5](C[4,5]C[4,5]N[4]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[4,5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]O[5]H)(N[4]C[4]C)(H)	H(C[5,5]C[4,5]C[5,5]O[5])	C[5,5](C[4,5]C[4,5]N[4]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[4,5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]O[5]H)(N[4]C[4]C)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,5]C[4,5]C[5,5]O[5])	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	110.4564	0.850	5	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[4,5]-4:N[4]-3:H-1:	C[5,5]-4:	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H)	C[4,5](C[5,5]N[5,5]C[5]H)(C[4,5]C[4]C[5]H)(N[4]C[6a]C[4])(H)	H(C[5,5]C[4,5]N[5,5]C[5])	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[4,5](C[5,5]N[5,5]C[5]H)(C[4,5]C[4]C[5]H)(N[4]C[6a]C[4])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,5]C[4,5]N[5,5]C[5])	110.3875	0.381	2	110.3875	0.145	2	110.3875	0.145	2	110.3875	0.145	2	110.4564	0.850	5	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5]	C[4,5]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[4,5]-4:C[4]-4:H-1:	C[5,5]-4:	C[5,5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HO)(H)	C[4,5](C[5,5]C[5,5]C[5]H)(C[4,5]C[4]O[5]C)(C[4]C[4]HH)(H)	H(C[5,5]C[4,5]C[5,5]C[5])	C[5,5](C[4,5]C[4,5]C[4]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HO)(H){1|O<2>,3|C<4>,4|H<1>}	C[4,5](C[5,5]C[5,5]C[5]H)(C[4,5]C[4]O[5]C)(C[4]C[4]HH)(H){1|O<2>,2|H<1>,4|C<4>}	H(C[5,5]C[4,5]C[5,5]C[5])	111.9620	0.000	1	111.9620	0.000	1	111.9620	0.000	1	111.9620	0.000	1	110.4564	0.850	5	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,5x6]	C[4,5,4x6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,4x6]-4:C[5,5,4x6]-4:C[6,6]-4:H-1:	C[4,4,3x6]-4:C[4,5,5,6]-4:C[5,5x6]-4:H-1:	C[5,5x6]-4:	C[5,5x6](C[4,5,4x6]C[4,4,3x6]C[4,5,5,6]H)(C[5,5,4x6]C[4,5,4x6]C[5,5]C)(C[6,6]C[6,6]HH)(H)	C[4,5,4x6](C[4,4,3x6]C[4,4,5,6,6]C[4,3x6]H)(C[4,5,5,6]C[4,4,5,6,6]C[5,5]C)(C[5,5x6]C[5,5,4x6]C[6,6]H)(H)	H(C[5,5x6]C[4,5,4x6]C[5,5,4x6]C[6,6])	C[5,5x6](C[4,5,4x6]C[4,4,3x6]C[4,5,5,6]H)(C[5,5,4x6]C[4,5,4x6]C[5,5]C)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[4,5,4x6](C[4,4,3x6]C[4,4,5,6,6]C[4,3x6]H)(C[4,5,5,6]C[4,4,5,6,6]C[5,5]C)(C[5,5x6]C[5,5,4x6]C[6,6]H)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,5x6]C[4,5,4x6]C[5,5,4x6]C[6,6])	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,3x6]-4:C[5,5,6,6]-4:Cl-1:H-1:	C[4,5,5,6]-4:C[4,6,6]-4:C[5,6,6]-4:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,5]H)(Cl)(H)	C[4,5,3x6](C[4,5,5,6]C[4,5,6,6]C[5,5]H)(C[4,6,6]C[4,5,6,6]C[6]H)(C[5,6,6]C[5,5,6,6]ClH)(C[6]C[6]HH)	H(C[5,6,6]C[4,5,3x6]C[5,5,6,6]Cl)	C[5,6,6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[6])(C[5,5,6,6]C[5,6,6]C[5,5]H)(Cl)(H){1|O<2>,3|C<4>,7|H<1>}	C[4,5,3x6](C[4,5,5,6]C[4,5,6,6]C[5,5]H)(C[4,6,6]C[4,5,6,6]C[6]H)(C[5,6,6]C[5,5,6,6]ClH)(C[6]C[6]HH){1|O<2>,2|C<4>,7|H<1>}	H(C[5,6,6]C[4,5,3x6]C[5,5,6,6]Cl)	108.4663	0.213	3	108.4663	0.045	3	108.4663	0.045	3	108.4663	0.045	3	109.9674	4.248	5	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,5,3x6]	H	4:4:4:1:	4:4:4:2:	4:	C[4,5,3x6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[4,5,3x6]-4:C[4,5,6,6]-4:C[5,6,6]-4:O[5,6]-2:	C[5,6,6]-4:	C[5,6,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[5,6]C[3,5,6]HH)2(H)	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3,6,6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6,6]C[5,6]2H)(O[5,6]C[5,3x6])	H(C[5,6,6]C[4,5,3x6]C[5,6]2)	C[5,6,6](C[4,5,3x6]C[4,5,3x6]C[4,5,6,6]O[5,6])(C[5,6]C[3,5,6]HH)2(H){2|C<3>,2|H<1>,4|C<4>}	C[4,5,3x6](C[4,5,3x6]C[4,5,6,6]C[3,6,6]C[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6,6]C[5,6]2H)(O[5,6]C[5,3x6]){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	H(C[5,6,6]C[4,5,3x6]C[5,6]2)	112.2190	0.054	2	112.2190	0.003	2	112.2190	0.003	2	112.2190	0.003	2	109.9674	4.248	5	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,5,4x6]	H	4:3:3:1:	3:3:4:3:	4:	C[4,5,4x6]-4:C[5,6]-3:C[5,6]-3:H-1:	C[4,5,5,6,6]-3:C[4,5,5,6,6]-3:C[5,6,6]-4:C[6,6]-3:	C[5,6,6]-4:	C[5,6,6](C[4,5,4x6]C[4,5,5,6,6]2C[6,6])(C[5,6]C[4,5,6]H)2(H)	C[4,5,4x6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6,6])2(C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]H)	H(C[5,6,6]C[4,5,4x6]C[5,6]2)	C[5,6,6](C[4,5,4x6]C[4,5,5,6,6]2C[6,6])(C[5,6]C[4,5,6]H)2(H){1|C<3>,3|C<4>,3|H<1>}	C[4,5,4x6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6,6])2(C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[5,6,6]C[4,5,4x6]C[5,6]2)	122.3560	0.000	1	122.3560	0.000	1	122.3560	0.000	1	122.3560	0.000	1	122.3560	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,5,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[4,4x5,6]-4:C[4,5,5,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:	C[5,6,6](C[4,5,5,6,6]C[4,4x5,6]C[4,5,5,6]C)(C[5,5,6,6]C[4x5,6]C[5,6]H)(H)2	C[4,5,5,6,6](C[4,4x5,6]C[4x5,6]C[4,5]C[5,6])(C[4,5,5,6]C[5,5,6]C[4,5]H)(C[5,6,6]C[5,5,6,6]HH)(CH3)	H(C[5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)	C[5,6,6](C[4,5,5,6,6]C[4,4x5,6]C[4,5,5,6]C)(C[5,5,6,6]C[4x5,6]C[5,6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[4,5,5,6,6](C[4,4x5,6]C[4x5,6]C[4,5]C[5,6])(C[4,5,5,6]C[5,5,6]C[4,5]H)(C[5,6,6]C[5,5,6,6]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)	111.8050	0.000	1	111.8050	0.000	1	111.8050	0.000	1	111.8050	0.000	1	111.8050	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,5,6,6]	H	4:4:1:1:	4:4:2:1:	4:	C[4,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[5,6,6]-4:O[4,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]H)(H)2	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]HH)(O[4,6]C[4,5,6,6])(H)	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]H)(H)2{1|C<4>,3|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]HH)(O[4,6]C[4,5,6,6])(H){1|C<4>,2|H<1>}	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	112.0705	0.589	2	112.0705	0.347	2	112.0705	0.347	2	112.0705	0.347	2	110.5673	3.503	10	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,5,6,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,5,6,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[4,6,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(H)2	C[4,5,6,6](C[4,5,5,6]C[4,5,3x6]C[5,5]H)(C[4,6,6]C[4,5,3x6]C[6]H)(C[5,6,6]C[5,5,6,6]HH)(H)	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,6,6]H)(C[5,5,6,6]C[5,6,6]C[5,5]H)(H)2{1|Cl<1>,1|O<2>,2|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,3x6]C[5,5]H)(C[4,6,6]C[4,5,3x6]C[6]H)(C[5,6,6]C[5,5,6,6]HH)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)	111.2334	0.041	5	111.2334	0.002	5	111.2334	0.002	5	111.2334	0.002	5	110.5673	3.503	10	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,5,6,6]	H	4:4:2:1:	4:4:2:3:	4:	C[4,5,6,6]-4:C[5,5,6,6]-4:O-2:H-1:	C[4,5,5,6]-4:C[5,6,6]-4:O[4,6]-2:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]C[6a])(C[5,5,6,6]C[5,6,6]O[5,5]O)(OH)(H)	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]HO)(O[4,6]C[4,5,6,6])(C[6a]C[6a]2)	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]O)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]C[6a])(C[5,5,6,6]C[5,6,6]O[5,5]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[4,5,6,6](C[4,5,5,6]C[4,5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]HO)(O[4,6]C[4,5,6,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]O)	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	110.5673	3.503	10	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,5,6,6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[5,5,6,6]-4:C-3:H-1:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5]H)(COO)(H)	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,5,6,6]C[5]C)(C[5,6,6]C[5,5,6,6]CH)(H)	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]C)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6]H)(C[5,5,6,6]C[5,5,6,6]C[5,5]H)(COO)(H){1|C<3>,3|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6,6]C[5,5]H)(C[4,5,6]C[4,5,5,6,6]C[5]C)(C[5,6,6]C[5,5,6,6]CH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6,6]C[4,5,6,6]C[5,5,6,6]C)	106.0370	0.000	1	106.0370	0.000	1	106.0370	0.000	1	106.0370	0.000	1	110.5673	3.503	10	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5,6,6]-4:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,5,6,6]C[4,5,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(H)	C[4,5,6,6](C[4,5,6]C[4,5,6,6]C[5]H)2(C[5,6,6]C[6,6]C[5]H)(H)	H(C[5,6,6]C[4,5,6,6]C[6,6]C[5])	C[5,6,6](C[4,5,6,6]C[4,5,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	C[4,5,6,6](C[4,5,6]C[4,5,6,6]C[5]H)2(C[5,6,6]C[6,6]C[5]H)(H){1|C<3>,2|C<4>,8|H<1>}	H(C[5,6,6]C[4,5,6,6]C[6,6]C[5])	110.7310	0.000	1	110.7310	0.000	1	110.7310	0.000	1	110.7310	0.000	1	110.5673	3.503	10	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,6,6]	H	4:2:2:1:	4:4:2:1:	4:	C[4,6,6]-4:O[5,6,6]-2:O[5]-2:H-1:	C[5,6,6]-4:C[4,6]-4:O[4,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(O[5]C[5])(H)	C[4,6,6](C[5,6,6]O[5,6,6]O[5]H)(C[4,6]C[4,6,6]FH)(O[4,6]C[4,6,6])(H)	H(C[5,6,6]C[4,6,6]O[5,6,6]O[5])	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	C[4,6,6](C[5,6,6]O[5,6,6]O[5]H)(C[4,6]C[4,6,6]FH)(O[4,6]C[4,6,6])(H){1|H<1>,2|C<4>}	H(C[5,6,6]C[4,6,6]O[5,6,6]O[5])	114.5370	0.000	1	114.5370	0.000	1	114.5370	0.000	1	114.5370	0.000	1	113.5033	1.993	3	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,6,6]	H	4:2:4:1:	4:4:2:1:	4:	C[4,6,6]-4:O[5,6,6]-2:C[5]-4:H-1:	C[5,6,6]-4:C[4,6]-4:O[4,6]-2:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(C[5]O[5]HH)(H)	C[4,6,6](C[5,6,6]O[5,6,6]C[5]H)(C[4,6]C[4,6,6]FH)(O[4,6]C[4,6,6])(H)	H(C[5,6,6]C[4,6,6]O[5,6,6]C[5])	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(C[5]O[5]HH)(H){1|C<4>,1|F<1>,2|H<1>}	C[4,6,6](C[5,6,6]O[5,6,6]C[5]H)(C[4,6]C[4,6,6]FH)(O[4,6]C[4,6,6])(H){1|C<4>,1|O<2>,3|H<1>}	H(C[5,6,6]C[4,6,6]O[5,6,6]C[5])	114.0780	0.000	1	114.0780	0.000	1	114.0780	0.000	1	114.0780	0.000	1	113.5033	1.993	3	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,6,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,6,6]-4:C[5,6]-4:C[5,6]-4:H-1:	C[4,6,6]-4:C[5,6,6]-4:C[4]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6]C[3,5,6]CH)(C[5,6]C[3,5,6]HH)(H)	C[4,6,6](C[4,6,6]C[3,6,6]C[4]H)(C[5,6,6]C[5,6]2H)(C[4]C[4]H)(H)	H(C[5,6,6]C[4,6,6]C[5,6]2)	C[5,6,6](C[4,6,6]C[4,6,6]C[4]H)(C[5,6]C[3,5,6]CH)(C[5,6]C[3,5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,6,6](C[4,6,6]C[3,6,6]C[4]H)(C[5,6,6]C[5,6]2H)(C[4]C[4]H)(H){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[4,6,6]C[5,6]2)	111.8950	0.000	1	111.8950	0.000	1	111.8950	0.000	1	111.8950	0.000	1	113.5033	1.993	3	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6,6]	C[4,6]	H	4:4:4:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:C[4]-4:C[6]-3:O[4]-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[4,6]C[4]C[6]O[4])(H)	C[4,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[4]C[4]HH)(C[6]C[6]H)(O[4]C[4])	H(C[5,6,6]C[5,5,6]C[5,6,6]C[4,6])	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[4,6]C[4]C[6]O[4])(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[4,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[4]C[4]HH)(C[6]C[6]H)(O[4]C[4]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[4,6])	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,4,6]	H	4:4:3:1:	4:4:4:4:	4:	C[4,4,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[4,6]-4:C[4,4]-4:C[4]-4:	C[5,6]-4:	C[5,6](C[4,4,6]C[4,4]C[4,6]C[4])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[4,4,6](C[5,6]C[5,5,6]C[5]H)(C[4,6]C[4]C[6]H)(C[4,4]C[4]2C)(C[4]C[4]HH)	H(C[5,6]C[4,4,6]C[5,5,6]C[5])	C[5,6](C[4,4,6]C[4,4]C[4,6]C[4])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,5|C<4>,5|H<1>}	C[4,4,6](C[5,6]C[5,5,6]C[5]H)(C[4,6]C[4]C[6]H)(C[4,4]C[4]2C)(C[4]C[4]HH){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[4,4,6]C[5,5,6]C[5])	105.8870	0.000	1	105.8870	0.000	1	105.8870	0.000	1	105.8870	0.000	1	105.8870	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,4x5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[4,4x5,6]-4:C[5,6]-4:O-2:H-1:	C[4,5,5,6,6]-4:C[4x5,6]-4:C[4,5]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[4,4x5,6]C[4,5,5,6,6]C[4x5,6]C[4,5])(C[5,6]C[5,5,6,6]HH)(OH)(H)	C[4,4x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6,6]C)(C[4x5,6]C[5,5,6,6]C[5,5,6]C)(C[4,5]C[4,5,5,6]CH)(C[5,6]C[5,6]HO)	H(C[5,6]C[4,4x5,6]C[5,6]O)	C[5,6](C[4,4x5,6]C[4,5,5,6,6]C[4x5,6]C[4,5])(C[5,6]C[5,5,6,6]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	C[4,4x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6,6]C)(C[4x5,6]C[5,5,6,6]C[5,5,6]C)(C[4,5]C[4,5,5,6]CH)(C[5,6]C[5,6]HO){1|O<1>,6|H<1>}	H(C[5,6]C[4,4x5,6]C[5,6]O)	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	109.6910	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6,6]	H	4:4:3:1:	4:4:4:2:	4:	C[4,5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,6]-4:O[5,6]-2:	C[5,6]-4:	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,6]C[5]H)(O[5,6]C[5,3x6])	H(C[5,6]C[4,5,6,6]C[5,6]C[5])	C[5,6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,6]C[5]H)(O[5,6]C[5,3x6]){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	H(C[5,6]C[4,5,6,6]C[5,6]C[5])	112.6837	0.183	3	112.6837	0.034	3	112.6837	0.034	3	112.6837	0.034	3	112.4972	0.086	5	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6,6]	H	4:4:3:1:	4:4:4:4:	4:	C[4,5,6,6]-4:C[5,6]-4:C[5]-3:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[5,5,6]-4:C[5,6]-4:	C[5,6]-4:	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6,6]O[5]2)(C[5,6]C[5,6]C[5]H)	H(C[5,6]C[4,5,6,6]C[5,6]C[5])	C[5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,5,6])(C[5,6]C[5,6]HH)(C[5]C[5]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6,6]O[5]2)(C[5,6]C[5,6]C[5]H){1|C<3>,1|O<1>,7|C<4>,7|H<1>}	H(C[5,6]C[4,5,6,6]C[5,6]C[5])	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	112.4972	0.086	5	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6,6]	H	4:4:4:1:	4:4:4:2:	4:	C[4,5,6,6]-4:C[3,5]-4:C[5,6]-4:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,6]-4:O[5,6]-2:	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[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[3,5]C[5,6]H)(O[5,6]C[5,3x6])	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[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[3,5]C[5,6]H)(O[5,6]C[5,3x6]){1|O<1>,1|O<2>,6|C<4>,7|H<1>}	H(C[5,6]C[4,5,6,6]C[3,5]C[5,6])	112.3120	0.000	1	112.3120	0.000	1	112.3120	0.000	1	112.3120	0.000	1	112.4972	0.086	5	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5,6,6]-4:C[4,5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(H)2	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H)	H(C[5,6]C[5,5,6,6]C[4,5,6]H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(H)2{4|C<4>,4|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]HH)(H){4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6,6]C[4,5,6]H)	111.3320	4.419	2	111.3320	19.531	2	111.3320	19.531	2	111.3320	19.531	2	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[4,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[4]-4:O[4]-2:	C[5,6]-4:	C[5,6](C[4,5,6]C[5,5,6]C[4]O[4])(C[5,5,6]C[5,5]C[5,6]H)(H)2	C[4,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[4]P[4,5]CH)(O[4]P[4,5])	H(C[5,6]C[4,5,6]C[5,5,6]H)	C[5,6](C[4,5,6]C[5,5,6]C[4]O[4])(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|P<5>,3|H<1>,5|C<4>}	C[4,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[4]P[4,5]CH)(O[4]P[4,5]){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[4,5,6]C[5,5,6]H)	110.9380	0.038	2	110.9380	0.001	2	110.9380	0.001	2	110.9380	0.001	2	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5,6]-4:Br-1:H-1:	C[4,6,6]-4:C[4,5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Br)(H)	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5,6]C[5,6]BrH)(CH3)	H(C[5,6]C[4,5,6]C[5,6]Br)	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Br)(H){1|C<3>,1|H<1>,4|C<4>}	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5,6]C[5,6]BrH)(CH3){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[4,5,6]C[5,6]Br)	111.5830	0.000	1	111.5830	0.000	1	111.5830	0.000	1	111.8489	6.711	10	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[4,6,6]-4:C[4,5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Cl)(H)	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5,6]C[5,6]ClH)(CH3)	H(C[5,6]C[4,5,6]C[5,6]Cl)	C[5,6](C[4,5,6]C[4,5,5]C[4,6,6]C)(C[5,6]C[5,6,6]O[5]H)(Cl)(H){1|H<1>,2|C<3>,3|C<4>}	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5,6]C[5,6]ClH)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[4,5,6]C[5,6]Cl)	111.3990	0.000	1	111.3990	0.000	1	111.3990	0.000	1	111.8489	6.711	10	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C[4,5,6]-4:H-1:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[6,6a]C[5,6])(C[4,5,6]C[4,5,6]2C)(H)2	C[4,5,6](C[4,5,6]C[4,5,6]C[5,6]C)2(C[5,6]C[5,3x6]HH)(CH3)	H(C[5,6]C[4,5,6]C[5,3x6]H)	C[5,6](C[5,3x6]C[5,3x6]C[6,6a]C[5,6])(C[4,5,6]C[4,5,6]2C)(H)2{2|H<1>,3|C<3>,5|C<4>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,6]C)2(C[5,6]C[5,3x6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[4,5,6]C[5,3x6]H)	111.9384	2.929	8	111.9384	8.581	8	111.9384	8.581	8	111.8489	6.711	10	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:2:1:	4:4:3:2:	4:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[4,6]-4:C[5,6]-4:C[4]-3:O[5]-2:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6]HH)(O[5]S[5])(H)	C[4,5,6](C[4,6]C[6]N[4]H)(C[5,6]C[6]O[5]H)(C[4]N[4]O)(O[5]S[5])	H(C[5,6]C[4,5,6]C[6]O[5])	C[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6]HH)(O[5]S[5])(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[4,5,6](C[4,6]C[6]N[4]H)(C[5,6]C[6]O[5]H)(C[4]N[4]O)(O[5]S[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[4,5,6]C[6]O[5])	109.3250	0.088	2	109.3250	0.008	2	109.3250	0.008	2	109.3250	0.008	2	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:2:1:	4:4:3:3:	4:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[4,5]-4:C[5,6]-4:C[6]-3:N[4]-3:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5]C[6]N[4])(C[6]C[6]HH)(O[5]C[5])(H)	C[4,5,6](C[4,5]C[4]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]H)(N[4]C[4]C)	H(C[5,6]C[4,5,6]C[6]O[5])	C[5,6](C[4,5,6]C[4,5]C[6]N[4])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]H)(N[4]C[4]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[5,6]C[4,5,6]C[6]O[5])	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5,6]-4:O-2:H-1:	C[4,5,6]-4:C[4,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[4,5,6]C[5,6]O)	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H){1|Cl<1>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5,6]C[5,6]HO)(H){1|Cl<1>,1|C<3>,2|C<4>,7|H<1>}	H(C[5,6]C[4,5,6]C[5,6]O)	111.1480	0.000	1	111.2727	0.021	3	111.2727	0.021	3	111.2727	0.021	3	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5,6]-4:O-2:H-1:	C[4,5,6]-4:C[4,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5,6]C[5,6]HO)(H)	H(C[5,6]C[4,5,6]C[5,6]O)	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H){1|Cl<1>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5,6]C[5,6]HO)(H){1|Cl<1>,3|C<4>,7|H<1>}	H(C[5,6]C[4,5,6]C[5,6]O)	111.3350	0.139	2	111.2727	0.021	3	111.2727	0.021	3	111.2727	0.021	3	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[4,6]-4:C[5,6]-4:C[4]-3:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H)	C[4,5,6](C[5,6]C[4,6]C[5,6]H)(C[4,6]C[5,6]C[4]C)(C[5,6]C[6]O[5]H)(C[4]C[4]O)	H(C[5,6]C[4,5,6]C[6]O[5])	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,3|H<1>,6|C<4>}	C[4,5,6](C[5,6]C[4,6]C[5,6]H)(C[4,6]C[5,6]C[4]C)(C[5,6]C[6]O[5]H)(C[4]C[4]O){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[4,5,6]C[6]O[5])	109.0255	1.010	2	109.0255	1.021	2	109.0255	1.021	2	109.0255	1.021	2	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[4,5,6]-4:C[6]-4:C[5]-3:H-1:	C[4,5]-4:C[4,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[4,5,6](C[4,5]C[4]O[5]H)(C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6]C[6]CH)(C[5]O[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[4,5,6](C[4,5]C[4]O[5]H)(C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	109.3690	0.000	1	109.3690	0.000	1	109.3690	0.000	1	109.3690	0.000	1	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[4,5]-4:C[4,6]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H)	C[4,5,6](C[5,6]C[5,5,6]C[5]H)(C[4,5]C[4]C[5]O)(C[4,6]C[4]C[6]H)(C[5]C[5]HH)	H(C[5,6]C[4,5,6]C[5,5,6]C[5])	C[5,6](C[4,5,6]C[4,5]C[4,6]C[5])(C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	C[4,5,6](C[5,6]C[5,5,6]C[5]H)(C[4,5]C[4]C[5]O)(C[4,6]C[4]C[6]H)(C[5]C[5]HH){1|O<2>,2|O<1>,3|C<4>,6|H<1>}	H(C[5,6]C[4,5,6]C[5,5,6]C[5])	109.1710	0.191	2	109.1710	0.036	2	109.1710	0.036	2	109.4893	0.322	3	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[4,5,6]-4:C[6]-4:C[5]-3:H-1:	C[4,5]-4:C[4,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H)	C[4,5,6](C[4,5]C[4]O[5]H)(C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(CH3)	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]CH)(C[5]O[5]O)(H){2|C<3>,3|H<1>}	C[4,5,6](C[4,5]C[4]O[5]H)(C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	110.1260	0.000	1	110.1260	0.000	1	110.1260	0.000	1	109.4893	0.322	3	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:4:1:	3:4:4:2:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[4,6a]-3:C[4,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6a]C[4,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5])	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,6a]C[4,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(C[5,6]C[5]C[6]H)(O[5]C[5]){3|C<3>,8|H<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	107.4640	0.000	1	107.4640	0.000	1	107.4640	0.000	1	107.4640	0.000	1	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[4,6]-4:C[5,6]-4:C[4,5]-3:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	C[4,5,6](C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(C[4,5]C[4]N[5])(H)	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[4,5,6](C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(C[4,5]C[4]N[5])(H){1|C<3>,1|C<4>,1|S<4>,6|H<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[3x5,6,6]-4:C[5,5,6,6]-4:C[4,5,6]-4:H-1:	C[4,5,5,6]-4:C[5,6]-4:C[4,5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(H)	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[3x5,6,6]C[5,5,6,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(H)	H(C[5,6]C[3x5,6,6]C[5,5,6,6]C[4,5,6])	C[5,6](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(H){8|H<1>,9|C<4>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[3x5,6,6]C[5,5,6,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(H){5|H<1>,6|C<4>}	H(C[5,6]C[3x5,6,6]C[5,5,6,6]C[4,5,6])	109.9910	0.000	1	109.9910	0.000	1	109.9910	0.000	1	109.4015	0.695	2	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[4,5,5]-4:C[4,6]-4:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,5]C[4,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H)	C[4,5,6](C[4,5,5]C[4,5]C[5]O[5])(C[4,6]C[4,5]C[6]H)(C[5,6]C[5]C[6]H)(H)	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,5,5]C[4,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[4,5,6](C[4,5,5]C[4,5]C[5]O[5])(C[4,6]C[4,5]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	109.4015	0.695	2	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[4,5,6]-4:C[4,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[4,6]-4:C[5,6]-4:C[4]-3:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]O[5]H)(H)	C[4,5,6](C[5,6]C[4,6]C[5,6]H)(C[4,6]C[5,6]C[4]C)(C[5,6]C[6]O[5]H)(C[4]C[4]O)	H(C[5,6]C[4,5,6]C[4,6]C[5,6])	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]O[5]H)(H){2|H<1>,2|O<1>,8|C<4>}	C[4,5,6](C[5,6]C[4,6]C[5,6]H)(C[4,6]C[5,6]C[4]C)(C[5,6]C[6]O[5]H)(C[4]C[4]O){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[4,5,6]C[4,6]C[5,6])	109.6170	1.239	2	109.6170	1.535	2	109.6170	1.535	2	109.6170	1.535	2	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[4,6]-4:C[5,6]-4:C[4]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[4,5,6](C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(C[4]C[4]CO)(C[5]C[5]HH)	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|O<2>,5|C<4>,5|H<1>}	C[4,5,6](C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(C[4]C[4]CO)(C[5]C[5]HH){1|O<2>,2|C<4>,8|H<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	106.6390	0.000	1	106.6390	0.000	1	108.4850	5.086	4	107.2845	6.525	6	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5]-4:C[6]-4:H-1:	C[4,6]-4:C[5,6]-4:C[4]-4:C[5]-4:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[4,5,6](C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(C[4]C[4]HH)(C[5]C[5]HH)	H(C[5,6]C[4,5,6]C[5]C[6])	C[5,6](C[4,5,6]C[4,6]C[4]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	C[4,5,6](C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(C[4]C[4]HH)(C[5]C[5]HH){1|O<2>,3|C<4>,7|H<1>}	H(C[5,6]C[4,5,6]C[5]C[6])	109.1003	2.314	3	109.1003	5.356	3	108.4850	5.086	4	107.2845	6.525	6	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,5,6]-4:C[6,6]-4:C[5]-4:H-1:	C[4,5,6]-4:C[5,6]-4:C[4]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,5,6]C[4]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[3,5,6]HH)(H)	C[4,5,6](C[4,5,6]C[3,5,6]C[6]O[4])(C[5,6]C[6,6]C[5]H)(C[4]O[4]HH)(C[6]C[6]HH)	H(C[5,6]C[4,5,6]C[6,6]C[5])	C[5,6](C[4,5,6]C[4,5,6]C[4]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[3,5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>,7|H<1>}	C[4,5,6](C[4,5,6]C[3,5,6]C[6]O[4])(C[5,6]C[6,6]C[5]H)(C[4]O[4]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[4,5,6]C[6,6]C[5])	104.8835	0.275	2	104.8835	0.076	2	104.8835	0.076	2	107.2845	6.525	6	109.9562	5.923	38	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[4,6]-4:O[5]-2:H-1:	C[5,6]-4:C[4,6]-4:C[4]-3:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H)	C[4,6](C[5,6]C[5,6]O[5]H)(C[4,6]C[4]N[6]C)(C[4]C[4]H)(CN)	H(C[5,6]C[4,6]C[5,6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H){1|C<2>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[4,6](C[5,6]C[5,6]O[5]H)(C[4,6]C[4]N[6]C)(C[4]C[4]H)(CN){2|H<1>,3|C<3>}	H(C[5,6]C[4,6]C[5,6]O[5])	107.7190	0.000	1	109.3020	5.012	2	109.3020	5.012	2	109.3020	5.012	2	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:2:1:	4:4:3:2:	4:	C[5,6]-4:C[4,6]-4:O[5]-2:H-1:	C[5,6]-4:C[4,6]-4:C[4]-3:C-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H)	C[4,6](C[5,6]C[5,6]O[5]H)(C[4,6]C[4]N[6]C)(C[4]C[4]H)(CN)	H(C[5,6]C[4,6]C[5,6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[4,6](C[5,6]C[5,6]O[5]H)(C[4,6]C[4]N[6]C)(C[4]C[4]H)(CN){2|H<1>,3|C<3>}	H(C[5,6]C[4,6]C[5,6]O[5])	110.8850	0.000	1	109.3020	5.012	2	109.3020	5.012	2	109.3020	5.012	2	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:2:1:	4:4:4:1:	4:	C[4,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[4,6]-4:C[4]-4:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[4,6](C[5,6]C[5,6]O[5]H)(C[4,6]C[4]C[6]H)(C[4]C[4]BrH)(H)	H(C[5,6]C[4,6]C[5,6]O[5])	C[5,6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|S<4>,3|H<1>}	C[4,6](C[5,6]C[5,6]O[5]H)(C[4,6]C[4]C[6]H)(C[4]C[4]BrH)(H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[4,6]C[5,6]O[5])	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:3:1:	4:3:3:4:	4:	C[4,6]-4:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[4,6]-3:N[4]-3:C-4:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]N[4]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[4,6](C[5,6]C[5,6]C[5]H)(C[4,6]C[4]C[6])(N[4]C[4]C)(CCHO)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]N[4]C)(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[5,6]C[5,6]C[5]H)(C[4,6]C[4]C[6])(N[4]C[4]C)(CCHO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[4,6]C[5,6]C[5])	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:3:1:	4:4:2:1:	4:	C[4,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[4,6]-4:O[4]-2:H-1:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]O[4]H)(C[5,6]C[5,6]BrH)(N[5]C[5]C)(H)	C[4,6](C[5,6]C[5,6]N[5]H)(C[4,6]C[4]C[6]H)(O[4]C[4])(H)	H(C[5,6]C[4,6]C[5,6]N[5])	C[5,6](C[4,6]C[4,6]O[4]H)(C[5,6]C[5,6]BrH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[5,6]C[5,6]N[5]H)(C[4,6]C[4]C[6]H)(O[4]C[4])(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[4,6]C[5,6]N[5])	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:4:1:	4:3:4:4:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[4,6]-3:C[4]-4:C-4:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[4,6](C[5,6]C[5,6]C[5]H)(C[4,6]C[4]C[6])(C[4]C[4]HH)(CH3)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[4,6](C[5,6]C[5,6]C[5]H)(C[4,6]C[4]C[6])(C[4]C[4]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(C[5,6]C[4,6]C[5,6]C[5])	105.1990	0.000	1	105.1990	0.000	1	105.1990	0.000	1	105.1990	0.000	1	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5,6]-4:C[4,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[4,6]-4:C[4]-3:H-1:	C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]O[5]H)(H)	C[4,6](C[5,6]C[4,5,6]C[5,6]H)(C[4,6]C[5,6]C[4]C)(C[4]C[4]O)(H)	H(C[5,6]C[4,5,6]C[4,6]C[5,6])	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]O[5]H)(H){2|H<1>,2|O<1>,8|C<4>}	C[4,6](C[5,6]C[4,5,6]C[5,6]H)(C[4,6]C[5,6]C[4]C)(C[4]C[4]O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[4,5,6]C[4,6]C[5,6])	109.5225	0.342	2	109.5225	0.117	2	109.5225	0.117	2	109.5225	0.117	2	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[4,5,6]-4:C[5,6]-4:C[4]-4:C-4:	C[5,6]-4:	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[4,6](C[4,5,6]C[5,5,6]C[4,5]H)(C[5,6]C[5,6]C[5]H)(C[4]C[4,5]HH)(CH3)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|O<2>,4|C<4>,6|H<1>}	C[4,6](C[4,5,6]C[5,5,6]C[4,5]H)(C[5,6]C[5,6]C[5]H)(C[4]C[4,5]HH)(CH3){3|H<1>,3|O<2>,4|C<4>}	H(C[5,6]C[4,6]C[5,6]C[5])	107.4050	0.000	1	107.4050	0.000	1	107.6973	0.300	3	107.6177	1.729	11	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[4,5,6]-4:C[5,6]-4:C[4]-4:C-4:	C[5,6]-4:	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[4,6](C[4,5,6]C[5,6]2C[4])(C[5,6]C[5,6]C[5]H)(C[4]C[4]HH)(CH3)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,5,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[4,6](C[4,5,6]C[5,6]2C[4])(C[5,6]C[5,6]C[5]H)(C[4]C[4]HH)(CH3){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[5,6]C[4,6]C[5,6]C[5])	107.8435	0.687	2	107.8435	0.471	2	107.6973	0.300	3	107.6177	1.729	11	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[4,6]-4:C[5,6]-4:C[4]-4:C-4:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[3,6]C[5]H)(C[5]C[5]HH)(H)	C[4,6](C[4,6]C[3,6]C[4]H)(C[5,6]C[5,6]C[5]H)(C[4]C[4]HH)(CH3)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[3,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[4,6](C[4,6]C[3,6]C[4]H)(C[5,6]C[5,6]C[5]H)(C[4]C[4]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[4,6]C[5,6]C[5])	110.5680	0.000	1	110.5680	0.000	1	107.6203	6.717	3	107.6177	1.729	11	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[4,6]-4:C[5,6]-4:C[4]-4:C-4:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H)	C[4,6](C[4,6]C[5,6]C[4]H)(C[5,6]C[5,6]C[5]H)(C[4]C[4]HH)(CH3)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[4,6](C[4,6]C[5,6]C[4]H)(C[5,6]C[5,6]C[5]H)(C[4]C[4]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	H(C[5,6]C[4,6]C[5,6]C[5])	106.1465	0.633	2	106.1465	0.401	2	107.6203	6.717	3	107.6177	1.729	11	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[4,6]-4:C[4]-4:C-4:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[4,6](C[5,6]C[5,6]C[5]H)(C[4,6]C[4]C[6]H)(C[4]C[4]HH)(CH3)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[4,6](C[5,6]C[5,6]C[5]H)(C[4,6]C[4]C[6]H)(C[4]C[4]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[4,6]C[5,6]C[5])	107.2170	0.000	1	107.2170	0.000	1	107.5684	0.806	5	107.6177	1.729	11	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[4,6]-4:C[4]-4:C-4:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[4,6](C[5,6]C[5,6]C[5]H)(C[4,6]C[4]C[6]O)(C[4]C[4]HH)(CH3)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[4,6](C[5,6]C[5,6]C[5]H)(C[4,6]C[4]C[6]O)(C[4]C[4]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[4,6]C[5,6]C[5])	108.5260	0.117	2	108.5260	0.014	2	107.5684	0.806	5	107.6177	1.729	11	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[4,6]-4:C[4]-4:C-4:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H)	C[4,6](C[5,6]C[5,6]C[5]H)(C[4,6]C[4]C[6]H)(C[4]C[4]HO)(CH3)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HO)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[4,6](C[5,6]C[5,6]C[5]H)(C[4,6]C[4]C[6]H)(C[4]C[4]HO)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[4,6]C[5,6]C[5])	106.6670	0.000	1	106.6670	0.000	1	107.5684	0.806	5	107.6177	1.729	11	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5,6]	C[4,6]	H	4:4:4:1:	4:4:4:4:	4:	C[4,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[4,6]-4:C[4]-4:C-4:	C[5,6]-4:	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H)	C[4,6](C[5,6]C[5,6]C[5]H)(C[4,6]C[4]C[6]O)(C[4]C[4]HH)(CH3)	H(C[5,6]C[4,6]C[5,6]C[5])	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[4,6](C[5,6]C[5,6]C[5]H)(C[4,6]C[4]C[6]O)(C[4]C[4]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[4,6]C[5,6]C[5])	106.9060	0.000	1	106.9060	0.000	1	107.5684	0.806	5	107.6177	1.729	11	108.3217	3.502	19	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,4,5,6,6]	H	4:4:2:1:	4:4:4:4:	4:	C[4,4,5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[4,4,5,6,6]-4:C[4,5,5,3x6]-4:C[4,5,5,6]-4:C[5]-4:	C[5]-4:	C[5](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,3x6]C[4,5,5,6])(C[5]C[5]CH)(O[5]C[5])(H)	C[4,4,5,6,6](C[4,4,5,6,6]C[4,5,5,3x6]C[4,5,5,6]C[5])(C[4,5,5,3x6]C[3x5,3x6]C[4,5,5,6]C)(C[4,5,5,6]C[4,5,5,3x6]C[5,5]C)(C[5]C[5]O[5]H)	H(C[5]C[4,4,5,6,6]C[5]O[5])	C[5](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,3x6]C[4,5,5,6])(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	C[4,4,5,6,6](C[4,4,5,6,6]C[4,5,5,3x6]C[4,5,5,6]C[5])(C[4,5,5,3x6]C[3x5,3x6]C[4,5,5,6]C)(C[4,5,5,6]C[4,5,5,3x6]C[5,5]C)(C[5]C[5]O[5]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	H(C[5]C[4,4,5,6,6]C[5]O[5])	107.9050	0.000	1	107.9050	0.000	1	107.9050	0.000	1	107.9050	0.000	1	107.9050	0.000	1	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,4,5]	H	4:2:1:1:	4:4:4:4:	4:	C[4,4,5]-4:O[5]-2:H-1:H-1:	C[3,4]-4:C[4,4]-4:C[4,5]-4:C[5]-4:	C[5]-4:	C[5](C[4,4,5]C[3,4]C[4,4]C[4,5])(O[5]C[5])(H)2	C[4,4,5](C[3,4]C[3,4]O[3]H)(C[4,4]C[3,4]C[4]H)(C[4,5]C[4]C[5]H)(C[5]O[5]HH)	H(C[5]C[4,4,5]O[5]H)	C[5](C[4,4,5]C[3,4]C[4,4]C[4,5])(O[5]C[5])(H)2{1|O<2>,2|C<4>,5|H<1>}	C[4,4,5](C[3,4]C[3,4]O[3]H)(C[4,4]C[3,4]C[4]H)(C[4,5]C[4]C[5]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	H(C[5]C[4,4,5]O[5]H)	111.0230	0.033	2	111.0230	0.001	2	111.0230	0.001	2	111.0230	0.001	2	111.9817	5.857	6	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,4,5]	H	4:4:1:1:	4:4:4:3:	4:	C[4,4,5]-4:C[5]-4:H-1:H-1:	C[4,4,5]-4:C[4]-4:C[5]-4:C[4]-3:	C[5]-4:	C[5](C[4,4,5]C[4,4,5]C[4]2)(C[5]C[5]HH)(H)2	C[4,4,5](C[4,4,5]C[4]2C[5])(C[4]C[4]HH)(C[5]C[5]HH)(C[4]C[4]C)	H(C[5]C[4,4,5]C[5]H)	C[5](C[4,4,5]C[4,4,5]C[4]2)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4,4,5](C[4,4,5]C[4]2C[5])(C[4]C[4]HH)(C[5]C[5]HH)(C[4]C[4]C){1|C<4>,6|H<1>}	H(C[5]C[4,4,5]C[5]H)	112.4610	2.974	4	112.4610	8.843	4	112.4610	8.843	4	112.4610	8.843	4	111.9817	5.857	6	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[4,5,5,6]-4:C[5]-4:H-1:H-1:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[5,6]-3:C[5]-4:	C[5]-4:	C[5](C[4,5,5,6]C[4,5,5,6]2C[5,6])(C[5]C[5]HH)(H)2	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[5,6]C[5])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[5]C[5]HH)	H(C[5]C[4,5,5,6]C[5]H)	C[5](C[4,5,5,6]C[4,5,5,6]2C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[5,6]C[5])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[5]C[5]HH){2|O<1>,3|C<4>,5|H<1>}	H(C[5]C[4,5,5,6]C[5]H)	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	110.5977	0.004	3	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,5,6]-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C[4,5,5]-4:C[4,6]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,5,6]C[4,5,5]C[5,5,6]C[4,6])(C[5]N[5]HH)(H)2	C[4,5,5,6](C[5,5,6]C[3,6]C[5]N[5])(C[4,5,5]C[4,5]C[5]2)(C[4,6]C[4,5]C[6]H)(C[5]C[5]HH)	H(C[5]C[4,5,5,6]C[5]H)	C[5](C[4,5,5,6]C[4,5,5]C[5,5,6]C[4,6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	C[4,5,5,6](C[5,5,6]C[3,6]C[5]N[5])(C[4,5,5]C[4,5]C[5]2)(C[4,6]C[4,5]C[6]H)(C[5]C[5]HH){1|Br<1>,1|O<1>,2|O<2>,4|C<4>,8|H<1>}	H(C[5]C[4,5,5,6]C[5]H)	110.5615	0.008	2	110.5615	0.000	2	110.5615	0.000	2	110.5615	0.000	2	110.5977	0.004	3	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:2:1:1:	4:4:4:2:	4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2	C[4,5,5](C[4,5,6]C[4,6,6]C[5]N[6])(C[4,5,6]C[4,6,6]C[5,6]C)(C[5]O[5]HH)(O[5]C[5,6])	H(C[5]C[4,5,5]O[5]H)	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2{1|N<3>,2|H<1>,4|C<4>}	C[4,5,5](C[4,5,6]C[4,6,6]C[5]N[6])(C[4,5,6]C[4,6,6]C[5,6]C)(C[5]O[5]HH)(O[5]C[5,6]){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[4,5,5]O[5]H)	110.9580	0.132	2	110.7675	0.054	4	110.7675	0.054	4	110.7675	0.054	4	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:2:1:1:	4:4:4:2:	4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2	C[4,5,5](C[4,5,6]C[4,6,6]C[5]N[6])(C[4,5,6]C[4,6,6]C[5,6]C)(C[5]O[5]HH)(O[5]C[5,6])	H(C[5]C[4,5,5]O[5]H)	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2{1|N<3>,2|H<1>,4|C<4>}	C[4,5,5](C[4,5,6]C[4,6,6]C[5]N[6])(C[4,5,6]C[4,6,6]C[5,6]C)(C[5]O[5]HH)(O[5]C[5,6]){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[4,5,5]O[5]H)	110.5770	0.013	2	110.7675	0.054	4	110.7675	0.054	4	110.7675	0.054	4	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:2:1:1:	4:4:4:3:	4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(O[5]C[5,5])(H)2	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]O[5]HH)(C[5]O[5]O)	H(C[5]C[4,5,5]O[5]H)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(O[5]C[5,5])(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]O[5]HH)(C[5]O[5]O){1|O<2>,2|C<4>,3|H<1>}	H(C[5]C[4,5,5]O[5]H)	111.8960	0.000	1	111.8960	0.000	1	111.8960	0.000	1	110.6577	4.732	3	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:2:1:1:	4:4:4:3:	4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[5,5]-4:C[5]-4:C[4]-3:	C[5]-4:	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(O[5]C[5])(H)2	C[4,5,5](C[4,5]C[6a]C[4]S[5])(C[5,5]C[5]2H)(C[5]O[5]HH)(C[4]C[4]H)	H(C[5]C[4,5,5]O[5]H)	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(O[5]C[5])(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[6a]C[4]S[5])(C[5,5]C[5]2H)(C[5]O[5]HH)(C[4]C[4]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5,5]O[5]H)	110.0385	2.676	2	110.0385	7.163	2	110.0385	7.163	2	110.6577	4.732	3	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(O[5]C[5])(H)2	C[4,5,5](C[4,5,5]C[4]C[5]2)(C[4]C[4]HH)(C[5]N[5]HH)(C[5]O[5]HH)	H(C[5]C[4,5,5]O[5]H)	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(O[5]C[5])(H)2{1|N<4>,2|C<4>,6|H<1>}	C[4,5,5](C[4,5,5]C[4]C[5]2)(C[4]C[4]HH)(C[5]N[5]HH)(C[5]O[5]HH){8|H<1>}	H(C[5]C[4,5,5]O[5]H)	110.7518	0.111	4	110.7518	0.012	4	110.7518	0.012	4	110.7518	0.012	4	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:2:4:1:	4:4:4:3:	4:	C[4,5,5]-4:S[5]-2:C-4:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(S[5]C[5])(CH3)(H)	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]S[5]CH)(C[5]O[5]C)	H(C[5]C[4,5,5]S[5]C)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(S[5]C[5])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]S[5]CH)(C[5]O[5]C){2|H<1>,4|C<4>}	H(C[5]C[4,5,5]S[5]C)	108.9460	0.000	1	108.9460	0.000	1	108.9460	0.000	1	108.9460	0.000	1	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:3:1:1:	4:4:3:4:	4:	C[4,5,5]-4:C[5,6a]-3:H-1:H-1:	C[4,5,5]-4:C[4,5,5]-4:C[5,6a]-3:C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]C[5])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)	H(C[5]C[4,5,5]C[5,6a]H)	C[5](C[4,5,5]C[4,5,5]2C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,3|C<4>,5|C<3>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]C[5])2(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,5|H<1>,8|C<3>}	H(C[5]C[4,5,5]C[5,6a]H)	110.8870	0.020	4	110.8870	0.000	4	110.8870	0.000	4	110.8870	0.000	4	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:3:1:1:	4:4:4:2:	4:	C[4,5,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[4,5,5]C[4,5]2O[5])(N[5]C[5]S)(H)2	C[4,5,5](C[4,5]C[4]C[5]H)(C[4,5]C[4]N[5]H)(C[5]N[5]HH)(O[5]C[5])	H(C[5]C[4,5,5]N[5]H)	C[5](C[4,5,5]C[4,5]2O[5])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[4,5,5](C[4,5]C[4]C[5]H)(C[4,5]C[4]N[5]H)(C[5]N[5]HH)(O[5]C[5]){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5]C[4,5,5]N[5]H)	111.6815	0.067	2	111.6815	0.005	2	111.6815	0.005	2	111.6815	0.005	2	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[4,5,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5]2C[5])(N[5]C[5]C)(H)2	C[4,5,5](C[4,5]C[4]C[5]F)2(C[5]N[5]HH)2	H(C[5]C[4,5,5]N[5]H)	C[5](C[4,5,5]C[4,5]2C[5])(N[5]C[5]C)(H)2{1|N<3>,2|C<4>,2|F<1>,4|H<1>}	C[4,5,5](C[4,5]C[4]C[5]F)2(C[5]N[5]HH)2{1|C<3>,1|C<4>,6|H<1>}	H(C[5]C[4,5,5]N[5]H)	110.9670	0.152	4	110.9670	0.023	4	110.9670	0.023	4	110.9670	0.023	4	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[4,5]-4:C[4,5]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[5,6a]C[4,5]2)(C[5]C[5]CH)(H)2	C[4,5,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]H)(C[4,5]C[4]N[5]H)(C[5]C[5]HH)	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[5,6a]C[4,5]2)(C[5]C[5]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[4,5,5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]H)(C[4,5]C[4]N[5]H)(C[5]C[5]HH){4|C<3>,6|H<1>}	H(C[5]C[4,5,5]C[5]H)	110.6105	0.008	2	110.6105	0.000	2	110.6105	0.000	2	110.6105	0.000	2	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:4:1:1:	4:3:4:3:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:N[5]-3:C[5]-4:C[4]-3:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4]N[5])(C[5]C[5]HH)(H)2	C[4,5,5](C[4,5,5]C[5,6a]C[4]C[5])(N[5]C[5,6a]C)(C[5]C[5]HH)(C[4]C[4]C)	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5,5]C[4]N[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[4,5,5](C[4,5,5]C[5,6a]C[4]C[5])(N[5]C[5,6a]C)(C[5]C[5]HH)(C[4]C[4]C){2|C<3>,6|H<1>}	H(C[5]C[4,5,5]C[5]H)	110.7580	0.011	2	110.7580	0.000	2	110.7580	0.000	2	110.7580	0.000	2	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5,6a]-3:C[4]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[5,6a]C[4])(C[5]C[5]HH)(H)2	C[4,5,5](C[4,5,5]C[4]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]HH)(C[5]C[5]HH)	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5,5]C[5,6a]C[4])(C[5]C[5]HH)(H)2{1|N<3>,3|C<3>,4|H<1>}	C[4,5,5](C[4,5,5]C[4]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]HH)(C[5]C[5]HH){4|C<3>,5|H<1>}	H(C[5]C[4,5,5]C[5]H)	111.0505	0.015	2	111.0505	0.000	2	111.0505	0.000	2	110.6053	0.265	4	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:4:1:1:	4:3:4:4:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5,6a]-3:C[4,5]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[5,6a]C[4,5]2)(C[5]C[5]CC)(H)2	C[4,5,5](C[4,5]C[6a]C[4]N[5])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]H)(C[5]C[5]HH)	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[5,6a]C[4,5]2)(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[4,5,5](C[4,5]C[6a]C[4]N[5])(C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]C[5]H)(C[5]C[5]HH){5|H<1>,7|C<3>}	H(C[5]C[4,5,5]C[5]H)	110.1600	0.020	2	110.1600	0.000	2	110.1600	0.000	2	110.6053	0.265	4	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[4,5,5]C[4,5]2O[5])(C[5]C[5]HH)(H)2	C[4,5,5](C[4,5]C[4]C[5]H)2(C[5]C[5]HH)(O[5]C[5])	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5]2O[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4]C[5]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,7|H<1>}	H(C[5]C[4,5,5]C[5]H)	111.0765	0.013	2	111.0765	0.000	2	111.0765	0.000	2	111.0077	0.014	3	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5,5]-4:C[5]-4:O[4]-2:	C[5]-4:	C[5](C[4,5,5]C[4,5]C[5,5]O[4])(C[5]C[5]HH)(H)2	C[4,5,5](C[4,5]C[4]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(O[4]C[4])	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5]C[5,5]O[4])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[4,5,5](C[4,5]C[4]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(O[4]C[4]){1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[4,5,5]C[5]H)	110.8700	0.000	1	110.8700	0.000	1	110.8700	0.000	1	111.0077	0.014	3	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[4,5,5]-4:C[5,6]-4:H-1:H-1:	C[4,5,5,6]-4:C[4]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[4,5,5]C[4,5,5,6]C[4]C[5])(C[5,6]O[5,6]C[6]H)(H)2	C[4,5,5](C[4,5,5,6]C[5,6a]C[4,6]O[5,6])(C[4]C[4,6]HH)(C[5]C[5,6]HH)(C[5]C[5,6a]O)	H(C[5]C[4,5,5]C[5,6]H)	C[5](C[4,5,5]C[4,5,5,6]C[4]C[5])(C[5,6]O[5,6]C[6]H)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[4,5,5](C[4,5,5,6]C[5,6a]C[4,6]O[5,6])(C[4]C[4,6]HH)(C[5]C[5,6]HH)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	H(C[5]C[4,5,5]C[5,6]H)	111.3660	0.006	2	111.3660	0.000	2	111.3660	0.000	2	111.2305	0.025	4	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:4:1:1:	4:4:4:3:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:C[5]-4:C[4]-3:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5]C[5]HH)(H)2	C[4,5,5](C[4,5,5]C[5]2O[4])(C[5]C[5]HH)2(C[4]O[4]O)	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[4,5,5](C[4,5,5]C[5]2O[4])(C[5]C[5]HH)2(C[4]O[4]O){2|C<4>,6|H<1>}	H(C[5]C[4,5,5]C[5]H)	111.0950	0.008	2	111.0950	0.000	2	111.0950	0.000	2	111.2305	0.025	4	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,5]-4:C[5]-4:Br-1:H-1:	C[4,5,5,6]-4:C[4,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]O[5]HO)(Br)(H)	C[4,5,5](C[4,5,5,6]C[5,5,6]C[4,6]C[5])(C[4,5]C[4,6]O[5]C)(C[5]C[5]BrH)(C[5]C[5]HH)	H(C[5]C[4,5,5]C[5]Br)	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]O[5]HO)(Br)(H){2|H<1>,5|C<4>}	C[4,5,5](C[4,5,5,6]C[5,5,6]C[4,6]C[5])(C[4,5]C[4,6]O[5]C)(C[5]C[5]BrH)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[4,5,5]C[5]Br)	111.4930	0.000	1	111.4930	0.000	1	111.4930	0.000	1	110.8550	0.168	6	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,5]-4:C[5]-4:H-1:H-1:	C[4,5,5,6]-4:C[4,5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]C[5,5,6]HH)(H)2	C[4,5,5](C[4,5,5,6]C[5,5,6]C[4,6]C[5])(C[4,5]C[4,6]O[5]C)(C[5]C[5]BrH)(C[5]C[5]HH)	H(C[5]C[4,5,5]C[5]H)	C[5](C[4,5,5]C[4,5,5,6]C[4,5]C[5])(C[5]C[5,5,6]HH)(H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<2>,5|C<4>}	C[4,5,5](C[4,5,5,6]C[5,5,6]C[4,6]C[5])(C[4,5]C[4,6]O[5]C)(C[5]C[5]BrH)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[4,5,5]C[5]H)	110.4170	0.006	2	110.4170	0.000	2	110.4170	0.000	2	110.8550	0.168	6	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,5]-4:N[5]-4:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(N[5]C[5]HH)(H)2	C[4,5,5](C[4,5,5]C[4]C[5]2)(C[4]C[4]HH)(C[5]N[5]HH)(C[5]O[5]HH)	H(C[5]C[4,5,5]N[5]H)	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(N[5]C[5]HH)(H)2{1|O<2>,2|C<4>,6|H<1>}	C[4,5,5](C[4,5,5]C[4]C[5]2)(C[4]C[4]HH)(C[5]N[5]HH)(C[5]O[5]HH){8|H<1>}	H(C[5]C[4,5,5]N[5]H)	110.9343	0.128	3	110.9343	0.016	3	110.9343	0.016	3	110.8550	0.168	6	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:4:2:1:	4:4:4:3:	4:	C[4,5,5]-4:C[5]-4:O-2:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5,5]HH)(OC)(H)	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]O)	H(C[5]C[4,5,5]C[5]O)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5,5]HH)(OC)(H){1|O<1>,3|H<1>,4|C<4>}	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]C[5]HO)(C[5]C[5]O){2|C<4>,8|H<1>}	H(C[5]C[4,5,5]C[5]O)	110.4040	0.232	4	110.4040	0.054	4	110.4040	0.054	4	110.4552	0.054	5	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:4:2:1:	4:4:4:3:	4:	C[4,5,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]HH)(OC)(H)	C[4,5,5](C[4,5]C[4]C[5]H)2(C[5]C[5]HO)(C[5]C[5]O)	H(C[5]C[4,5,5]C[5]O)	C[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]HH)(OC)(H){1|O<1>,3|C<4>,4|H<1>}	C[4,5,5](C[4,5]C[4]C[5]H)2(C[5]C[5]HO)(C[5]C[5]O){10|H<1>}	H(C[5]C[4,5,5]C[5]O)	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	110.4552	0.054	5	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,5]	H	4:4:4:1:	4:4:4:2:	4:	C[4,5,5]-4:C[5]-4:C-4:H-1:	C[4,5,5]-4:C[5]-4:C[5]-4:O[4]-2:	C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[5]O[4])(C[5]C[5]HH)(CC[6a]HH)(H)	C[4,5,5](C[4,5,5]C[4]C[5]2)(C[5]C[5]CH)2(O[4]C[4])	H(C[5]C[4,5,5]C[5]C)	C[5](C[4,5,5]C[4,5,5]C[5]O[4])(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[4,5,5](C[4,5,5]C[4]C[5]2)(C[5]C[5]CH)2(O[4]C[4]){1|O<1>,8|H<1>}	H(C[5]C[4,5,5]C[5]C)	109.2750	1.508	2	109.2750	2.273	2	109.2750	2.273	2	109.2750	2.273	2	110.7367	0.517	50	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6,6]	H	4:4:1:1:	4:4:4:3:	4:	C[4,5,6,6]-4:C[5]-4:H-1:H-1:	C[4,5,6,6]-4:C[3x6]-4:C[5]-4:C[4]-3:	C[5]-4:	C[5](C[4,5,6,6]C[4,5,6,6]C[3x6]C[4])(C[5]C[5]HH)(H)2	C[4,5,6,6](C[4,5,6,6]C[3x6]C[4]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]HH)(C[4]C[4]C)	H(C[5]C[4,5,6,6]C[5]H)	C[5](C[4,5,6,6]C[4,5,6,6]C[3x6]C[4])(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[4,5,6,6](C[4,5,6,6]C[3x6]C[4]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]HH)(C[4]C[4]C){2|C<2>,2|C<3>,6|H<1>}	H(C[5]C[4,5,6,6]C[5]H)	110.8555	0.034	4	110.8555	0.001	4	110.8555	0.001	4	110.8555	0.001	4	110.8555	0.001	4	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(O[5]C[5])(H)2	C[4,5,6](C[4,5,6]C[4,6]C[5]N[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]HH)(C[6]N[6]O)	H(C[5]C[4,5,6]O[5]H)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<4>}	C[4,5,6](C[4,5,6]C[4,6]C[5]N[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]HH)(C[6]N[6]O){1|C<3>,3|C<4>,6|H<1>}	H(C[5]C[4,5,6]O[5]H)	110.8360	0.000	1	110.8360	0.000	1	110.8360	0.000	1	110.5682	0.124	6	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(O[5]C[5])(H)2	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]O[5]HH)(C[6]N[6]O)	H(C[5]C[4,5,6]O[5]H)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]O[5]HH)(C[6]N[6]O){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5,6]O[5]H)	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1	110.5682	0.124	6	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,6,6]-4:C[4,5,5]-4:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C)	H(C[5]C[4,5,6]O[5]H)	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C){1|Br<1>,1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[4,5,6]O[5]H)	110.1195	0.053	2	110.4292	0.129	4	110.4292	0.129	4	110.5682	0.124	6	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,6,6]-4:C[4,5,5]-4:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C)	H(C[5]C[4,5,6]O[5]H)	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[4,5,6]O[5]H)	110.7390	0.004	2	110.4292	0.129	4	110.4292	0.129	4	110.5682	0.124	6	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,5,6,6]-4:C[4,6,6]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[4,5,6]C[4,5,6,6]C[4,6,6]C)(O[5]C[5,6,6])(H)2	C[4,5,6](C[4,5,6,6]C[5,6,6]C[4,6]O)(C[4,6,6]C[4,6]C[6,6]H)(C[5]O[5]HH)(CH3)	H(C[5]C[4,5,6]O[5]H)	C[5](C[4,5,6]C[4,5,6,6]C[4,6,6]C)(O[5]C[5,6,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[4,5,6](C[4,5,6,6]C[5,6,6]C[4,6]O)(C[4,6,6]C[4,6]C[6,6]H)(C[5]O[5]HH)(CH3){2|C<4>,4|H<1>}	H(C[5]C[4,5,6]O[5]H)	110.6015	0.028	2	110.6015	0.001	2	110.6015	0.001	2	110.2726	0.050	8	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,6,6]2C[5])(O[5]C[5,5])(H)2	C[4,5,6](C[4,6,6]C[4,6]C[6,6]H)2(C[5]C[5,5]HH)(C[5]O[5]HH)	H(C[5]C[4,5,6]O[5]H)	C[5](C[4,5,6]C[4,6,6]2C[5])(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[4,5,6](C[4,6,6]C[4,6]C[6,6]H)2(C[5]C[5,5]HH)(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[4,5,6]O[5]H)	110.1630	0.112	6	110.1630	0.013	6	110.1630	0.013	6	110.2726	0.050	8	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:2:4:1:	4:4:4:3:	4:	C[4,5,6]-4:O[5]-2:C-4:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:N[6]-3:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H)	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]CH)(N[6]C[6]H)	H(C[5]C[4,5,6]O[5]C)	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]CH)(N[6]C[6]H){1|N<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[5]C[4,5,6]O[5]C)	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:4:1:1:	4:4:3:3:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[5]-4:C[4]-3:C[6]-3:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[5]HH)(H)2	C[4,5,6](C[4,5,6]C[4]C[5]C[6])(C[5]C[5]HH)(C[4]C[4]C)(C[6]C[6]H)	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[5]HH)(H)2{1|C<2>,3|C<3>,3|H<1>}	C[4,5,6](C[4,5,6]C[4]C[5]C[6])(C[5]C[5]HH)(C[4]C[4]C)(C[6]C[6]H){1|C<2>,1|C<3>,6|H<1>}	H(C[5]C[4,5,6]C[5]H)	110.4071	2.961	8	110.4071	8.770	8	110.4071	8.770	8	110.4071	8.770	8	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5,6,6]HH)(H)2	C[4,5,6](C[4,5,6,6]C[4,5,6]C[6,6]C[5])(C[4,5,6,6]C[4,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[4,5,6](C[4,5,6,6]C[4,5,6]C[6,6]C[5])(C[4,5,6,6]C[4,5,6]C[5,6,6]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[4,5,6]C[5]H)	111.1060	0.028	2	111.1060	0.001	2	110.8575	0.083	4	110.8575	0.083	4	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5]HH)(H)2	C[4,5,6](C[4,5,6,6]C[4,5,6]C[6,6]C[5])(C[4,5,6,6]C[4,5,6]C[5,6,6]H)(C[5]C[5]HH)(H)	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,5,6,6]2H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[4,5,6](C[4,5,6,6]C[4,5,6]C[6,6]C[5])(C[4,5,6,6]C[4,5,6]C[5,6,6]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[4,5,6]C[5]H)	110.6090	0.021	2	110.6090	0.000	2	110.8575	0.083	4	110.8575	0.083	4	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5,5]-4:H-1:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,6,6]2C[5])(C[5,5]C[5]N[5]O[5])(H)2	C[4,5,6](C[4,6,6]C[4,6]C[6,6]H)2(C[5]C[5,5]HH)(C[5]O[5]HH)	H(C[5]C[4,5,6]C[5,5]H)	C[5](C[4,5,6]C[4,6,6]2C[5])(C[5,5]C[5]N[5]O[5])(H)2{2|C<3>,3|C<4>,7|H<1>}	C[4,5,6](C[4,6,6]C[4,6]C[6,6]H)2(C[5]C[5,5]HH)(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[4,5,6]C[5,5]H)	110.8177	0.104	7	110.8177	0.011	7	110.8177	0.011	7	110.4203	0.757	20	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H)	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH)	H(C[5]C[4,5,6]C[5,6]Cl)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[4,5,6]C[5,6]Cl)	108.8970	0.000	1	108.5250	0.105	3	108.5250	0.105	3	110.4203	0.757	20	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:C[6]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H)	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH)	H(C[5]C[4,5,6]C[5,6]Cl)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(C[5,6]C[5,6]C[6]H)(Cl)(H){1|O<2>,4|C<4>,7|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5,6]ClH)(C[6]C[6]HH){1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[4,5,6]C[5,6]Cl)	108.3390	0.040	2	108.5250	0.105	3	108.5250	0.105	3	110.4203	0.757	20	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[4,6]-4:C[5,6]-4:C[4]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2	C[4,5,6](C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(C[4]C[4]CO)(C[5]C[5]HH)	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	C[4,5,6](C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(C[4]C[4]CO)(C[5]C[5]HH){1|O<2>,2|C<4>,8|H<1>}	H(C[5]C[4,5,6]C[5]H)	110.7825	0.032	2	110.7825	0.001	2	110.7122	0.193	8	110.4203	0.757	20	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[4,6]-4:C[5,6]-4:C[4]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2	C[4,5,6](C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(C[4]C[4]HH)(C[5]C[5]HH)	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,6]C[5,6]C[4])(C[5]C[5]HH)(H)2{4|C<4>,5|H<1>}	C[4,5,6](C[4,6]C[4]C[6]H)(C[5,6]C[5]C[6]H)(C[4]C[4]HH)(C[5]C[5]HH){1|O<2>,3|C<4>,7|H<1>}	H(C[5]C[4,5,6]C[5]H)	110.6888	0.517	6	110.6888	0.267	6	110.7122	0.193	8	110.4203	0.757	20	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[4,5]-4:C[4,6]-4:C[5]-4:	C[5]-4:	C[5](C[4,5,6]C[4,5]C[4,6]C[5,6])(C[5]C[5]CH)(H)2	C[4,5,6](C[5,6]C[5,5,6]C[5]H)(C[4,5]C[4]C[5]O)(C[4,6]C[4]C[6]H)(C[5]C[5]HH)	H(C[5]C[4,5,6]C[5]H)	C[5](C[4,5,6]C[4,5]C[4,6]C[5,6])(C[5]C[5]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[4,5,6](C[5,6]C[5,5,6]C[5]H)(C[4,5]C[4]C[5]O)(C[4,6]C[4]C[6]H)(C[5]C[5]HH){1|O<2>,2|O<1>,3|C<4>,6|H<1>}	H(C[5]C[4,5,6]C[5]H)	110.7045	0.183	2	110.7045	0.034	2	110.7045	0.034	2	110.4203	0.757	20	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[4,5,6]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H)	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]C[5]HO)(C[6]C[6]O)	H(C[5]C[4,5,6]C[5]O)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]C[5]HO)(C[6]C[6]O){1|C<4>,9|H<1>}	H(C[5]C[4,5,6]C[5]O)	109.6400	0.000	1	109.5820	0.007	2	109.5820	0.007	2	109.5820	0.007	2	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5,6]	H	4:4:2:1:	4:4:4:3:	4:	C[4,5,6]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H)	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]C[5]HO)(C[6]C[6]O)	H(C[5]C[4,5,6]C[5]O)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]C[5]HH)(OC)(H){1|O<1>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]C[5]HO)(C[6]C[6]O){10|H<1>,1|C<3>}	H(C[5]C[4,5,6]C[5]O)	109.5240	0.000	1	109.5820	0.007	2	109.5820	0.007	2	109.5820	0.007	2	110.3722	1.739	49	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	3:4:1:1:	4:2:4:4:	4:	C[5,6a]-3:C[4,5]-4:H-1:H-1:	C[5]-4:O[5]-2:C[4]-4:C[4]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]2O[5])(H)2	C[4,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[4]C[4]HH)2	H(C[5]C[5,6a]C[4,5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4]2O[5])(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[4,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[4]C[4]HH)2{1|C<3>,1|N<2>,2|H<1>}	H(C[5]C[5,6a]C[4,5]H)	111.3550	0.901	4	111.3550	0.811	4	111.3550	0.811	4	111.3550	0.811	4	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	3:4:2:1:	4:4:3:1:	4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]H)(H)	H(C[5]C[4,5]N[5a]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[4,5]N[5a]O[5])	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	3:4:2:1:	4:4:4:1:	4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-4:F-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]HH)(F)	H(C[5]C[4,5]N[5a]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]HH)(F){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[4,5]N[5a]O[5])	109.2660	0.000	1	109.2660	0.000	1	109.2660	0.000	1	108.8955	0.275	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	3:4:2:1:	4:4:4:1:	4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]HH)(H)	H(C[5]C[4,5]N[5a]O[5])	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[4,5]N[5a]O[5])	108.5250	0.000	1	108.5250	0.000	1	108.5250	0.000	1	108.8955	0.275	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:1:1:	4:4:4:1:	4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[4,4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,4,5]C[4]H)(O[5]C[5])(H)2	C[4,5](C[4,4,5]C[3,4]C[4,4]C[5])(C[4]C[4,4]CH)(C[5]O[5]HH)(H)	H(C[5]C[4,5]O[5]H)	C[5](C[4,5]C[4,4,5]C[4]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,4,5]C[3,4]C[4,4]C[5])(C[4]C[4,4]CH)(C[5]O[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	H(C[5]C[4,5]O[5]H)	110.4145	0.016	2	110.4145	0.000	2	110.4145	0.000	2	110.5716	0.028	10	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:1:1:	4:4:4:1:	4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5])(H)2	C[4,5](C[4,5,6]C[4,6]C[5]C[6])(C[4]C[4,6]CC)(C[5]O[5]HH)(H)	H(C[5]C[4,5]O[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5])(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[4,5](C[4,5,6]C[4,6]C[5]C[6])(C[4]C[4,6]CC)(C[5]O[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5]C[4,5]O[5]H)	110.6415	0.006	2	110.6415	0.000	2	110.6415	0.000	2	110.5716	0.028	10	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:1:1:	4:4:4:1:	4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	C[4,5](C[4,5]C[4]C[5]C)(C[4]C[4]HH)(C[5]O[5]HH)(H)	H(C[5]C[4,5]O[5]H)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]C)(C[4]C[4]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[5]C[4,5]O[5]H)	110.8860	0.000	1	110.8860	0.000	1	110.6007	0.038	6	110.5716	0.028	10	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:1:1:	4:4:4:1:	4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]O[5]HH)(H)	H(C[5]C[4,5]O[5]H)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]O[5]HH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[4,5]O[5]H)	110.3790	0.025	2	110.5233	0.028	4	110.6007	0.038	6	110.5716	0.028	10	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:1:1:	4:4:4:1:	4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]O[5]HH)(H)	H(C[5]C[4,5]O[5]H)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[4,5]O[5]H)	110.6675	0.009	2	110.5233	0.028	4	110.6007	0.038	6	110.5716	0.028	10	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:1:1:	4:4:4:1:	4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]HH)(H)	H(C[5]C[4,5]O[5]H)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[4,5]O[5]H)	110.6250	0.000	1	110.6250	0.000	1	110.6007	0.038	6	110.5716	0.028	10	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:1:1:	4:4:4:3:	4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[4]-4:C[5]-4:C[4]-3:	C[5]-4:	C[5](C[4,5]C[5,6]C[4]2)(O[5]C[5])(H)2	C[4,5](C[5,6]C[5]C[6]2)(C[4]C[4]CC)(C[5]O[5]HH)(C[4]C[4]C)	H(C[5]C[4,5]O[5]H)	C[5](C[4,5]C[5,6]C[4]2)(O[5]C[5])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[4,5](C[5,6]C[5]C[6]2)(C[4]C[4]CC)(C[5]O[5]HH)(C[4]C[4]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5]C[4,5]O[5]H)	110.6290	0.010	2	110.6290	0.000	2	110.6290	0.000	2	110.6290	0.000	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:1:1:	5:4:2:1:	4:	C[4,5]-4:C[5]-2:H-1:H-1:	C[3,4,5]-5:C[5]-4:H[4]-2:H-1:	C[5]-4:	C[5](C[4,5]C[3,4,5]H[4]H)(C[5]C[3,5])(H)2	C[4,5](C[3,4,5]C[3,5]H[3]H[4]H)(C[5]C[5]HH)(H[4]H[4])(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[3,4,5]H[4]H)(C[5]C[3,5])(H)2{1|C<3>,1|H<1>,2|H<2>}	C[4,5](C[3,4,5]C[3,5]H[3]H[4]H)(C[5]C[5]HH)(H[4]H[4])(H){1|C<3>}	H(C[5]C[4,5]C[5]H)	109.5395	0.011	2	109.5395	0.000	2	109.5395	0.000	2	109.5395	0.000	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:2:1:	4:4:4:1:	4:	C[4,5]-4:O[5]-2:O-2:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(O[5]C[5])(OC)(H)	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]C[5]H)(C[5]O[5]HO)(H)	H(C[5]C[4,5]O[5]O)	C[5](C[4,5]C[4,5,5]C[4,5]H)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>,3|C<4>}	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]C[5]H)(C[5]O[5]HO)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[4,5]O[5]O)	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:4:1:	4:3:4:2:	4:	C[4,5]-4:S[5]-2:C-4:H-1:	C[4,5]-4:C[6a]-3:C[5]-4:O[4]-2:	C[5]-4:	C[5](C[4,5]C[4,5]C[6a]O[4])(S[5]C[5])(CH3)(H)	C[4,5](C[4,5]C[4]C[5]C)(C[6a]C[6a]2)(C[5]S[5]CH)(O[4]C[4])	H(C[5]C[4,5]S[5]C)	C[5](C[4,5]C[4,5]C[6a]O[4])(S[5]C[5])(CH3)(H){1|C<4>,1|O<2>,4|C<3>}	C[4,5](C[4,5]C[4]C[5]C)(C[6a]C[6a]2)(C[5]S[5]CH)(O[4]C[4]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[4,5]S[5]C)	107.2770	0.000	1	107.2770	0.000	1	107.2770	0.000	1	107.2770	0.000	1	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:4:1:	4:4:3:1:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(H)	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|N<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(H){1|N<3>,2|H<1>}	H(C[5]C[4,5]O[5]C)	108.9780	0.000	1	108.7890	0.071	2	108.7890	0.071	2	108.7890	0.071	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:4:1:	4:4:3:1:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(H)	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(H){1|H<1>,1|O<1>}	H(C[5]C[4,5]O[5]C)	108.6000	0.000	1	108.7890	0.071	2	108.7890	0.071	2	108.7890	0.071	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:4:1:	4:4:3:3:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[5]-4:N[4]-3:C-3:	C[5]-4:	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(N[4]C[4]S)(COO)	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(N[4]C[4]S)(COO){1|C<3>,3|H<1>}	H(C[5]C[4,5]O[5]C)	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:4:1:	4:4:3:4:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:C-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(CH3)	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(CH3){1|H<1>,1|O<1>}	H(C[5]C[4,5]O[5]C)	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:4:1:	4:4:4:1:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]F)(C[4]C[4]HH)(C[5]O[5]CH)(H)	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|N<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]F)(C[4]C[4]HH)(C[5]O[5]CH)(H){1|N<3>,3|H<1>}	H(C[5]C[4,5]O[5]C)	108.9450	0.000	1	108.9450	0.000	1	107.9460	2.168	4	108.3488	1.703	6	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:4:1:	4:4:4:1:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]O[5]CH)(H)	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]O[5]CH)(H){1|O<1>,2|H<1>}	H(C[5]C[4,5]O[5]C)	106.5910	0.000	1	106.5910	0.000	1	107.9460	2.168	4	108.3488	1.703	6	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:4:1:	4:4:4:1:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]CH)(H)	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]CH)(H){1|N<3>,3|H<1>}	H(C[5]C[4,5]O[5]C)	109.4670	0.000	1	108.1240	3.607	2	107.9460	2.168	4	108.3488	1.703	6	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:4:1:	4:4:4:1:	4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]CH)(H)	H(C[5]C[4,5]O[5]C)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]CH)(H){1|C<4>,1|H<1>,1|O<1>}	H(C[5]C[4,5]O[5]C)	106.7810	0.000	1	108.1240	3.607	2	107.9460	2.168	4	108.3488	1.703	6	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:4:1:	4:4:4:1:	4:	C[4,5]-4:S[5]-2:C-4:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(S[5]C[5])(CH3)(H)	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]C[5]H)(C[5]S[5]CH)(H)	H(C[5]C[4,5]S[5]C)	C[5](C[4,5]C[4,5,5]C[4,5]H)(S[5]C[5])(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]C[5]H)(C[5]S[5]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[4,5]S[5]C)	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	108.3488	1.703	6	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:4:1:	4:4:4:1:	4:	C[4,5]-4:S[5]-2:C-4:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]2H)(S[5]C[5])(CH3)(H)	C[4,5](C[4,5]C[4,5]C[5]C)(C[4,5]C[4,5]C[5]H)(C[5]S[5]CH)(H)	H(C[5]C[4,5]S[5]C)	C[5](C[4,5]C[4,5]2H)(S[5]C[5])(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	C[4,5](C[4,5]C[4,5]C[5]C)(C[4,5]C[4,5]C[5]H)(C[5]S[5]CH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[4,5]S[5]C)	109.3350	0.000	1	109.3350	0.000	1	109.3350	0.000	1	108.3488	1.703	6	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:2:4:1:	4:4:4:3:	4:	C[4,5]-4:S[5]-2:C-4:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:C-3:	C[5]-4:	C[5](C[4,5]C[4,5]2C)(S[5]C[5])(CH3)(H)	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]S[5]CH)(COO)	H(C[5]C[4,5]S[5]C)	C[5](C[4,5]C[4,5]2C)(S[5]C[5])(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]S[5]CH)(COO){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[4,5]S[5]C)	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	3:4:4:1:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	N[4,5]-3:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(H)2	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]CH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]CH)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>}	H(C[5]C[4,5]C[5]H)	111.3959	0.376	14	111.3959	0.142	14	111.3959	0.142	14	111.3959	0.142	14	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:3:1:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(H)2	C[4,5](C[4,5]C[5]O[4]C)(C[5]N[5]HH)(C[4]O[4]O)(H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[4,5](C[4,5]C[5]O[4]C)(C[5]N[5]HH)(C[4]O[4]O)(H){1|C<3>,2|C<4>}	H(C[5]C[4,5]N[5]H)	111.7435	0.098	2	111.7435	0.010	2	111.2897	0.052	12	111.2897	0.052	12	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:3:1:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]HH)(C[4]C[4]C)(H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]HH)(C[4]C[4]C)(H){1|C<3>,1|O<1>,1|S<4>}	H(C[5]C[4,5]N[5]H)	111.1405	0.050	2	111.1989	0.007	10	111.2897	0.052	12	111.2897	0.052	12	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:3:1:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]HH)(C[4]C[4]C)(H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]HH)(C[4]C[4]C)(H){1|C<3>,1|S<4>,3|H<1>}	H(C[5]C[4,5]N[5]H)	111.1968	0.094	6	111.1989	0.007	10	111.2897	0.052	12	111.2897	0.052	12	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:3:1:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]HH)(C[4]C[4]C)(H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5]HH)(C[4]C[4]C)(H){1|C<4>,1|S<4>,3|H<1>}	H(C[5]C[4,5]N[5]H)	111.2635	0.045	2	111.1989	0.007	10	111.2897	0.052	12	111.2897	0.052	12	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:3:4:	4:	C[4,5]-4:B[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[6a]C[4])(B[5]O[5]O)(H)2	C[4,5](C[4,5]C[4,6]O[5]H)(C[4]C[4,6]HH)(C[6a]C[6a]2)(C[5]B[5]HH)	H(C[5]C[4,5]B[5]H)	C[5](C[4,5]C[4,5]C[6a]C[4])(B[5]O[5]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[4,5](C[4,5]C[4,6]O[5]H)(C[4]C[4,6]HH)(C[6a]C[6a]2)(C[5]B[5]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[4,5]B[5]H)	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5,6a]-3:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[4,5](C[4,5]C[5,6a]C[4,6]H)(C[4,6]C[4,6]2F)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[4,5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[5,6a]C[4,6]H)(C[4,6]C[4,6]2F)(C[5]C[5,6a]HH)(H){2|C<4>,2|F<1>,3|C<3>}	H(C[5]C[5,6a]C[4,5]H)	111.0595	0.037	2	111.0595	0.001	2	111.0450	0.001	4	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5,6a]-3:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2	C[4,5](C[4,5]C[5,6a]C[4,6]H)(C[4,6]C[6,6a]C[4,6]F)(C[5]C[5,6a]HH)(H)	H(C[5]C[5,6a]C[4,5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,6]H)(C[4,6]C[6,6a]C[4,6]F)(C[5]C[5,6a]HH)(H){1|C<4>,1|F<1>,4|C<3>}	H(C[5]C[5,6a]C[4,5]H)	111.0305	0.006	2	111.0305	0.000	2	111.0450	0.001	4	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(H)2	C[4,5](C[4,5]C[4,6]C[5]O)(C[4,6]C[4,6]C[6]O)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[4,5](C[4,5]C[4,6]C[5]O)(C[4,6]C[4,6]C[6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[4,5]C[5]H)	103.8370	4.657	2	103.8370	21.688	2	103.8370	21.688	2	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CO)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CO)(C[5]C[5]HH)(H){1|Cl<1>,3|H<1>}	H(C[5]C[4,5]C[5]H)	111.2415	0.063	2	111.2415	0.004	2	110.8833	0.088	6	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(H)2	C[4,5](C[4,5]C[4]O[5]C)(C[4]C[4]HO)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[4,5](C[4,5]C[4]O[5]C)(C[4]C[4]HO)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[4,5]C[5]H)	110.5930	0.011	2	110.5930	0.000	2	110.8833	0.088	6	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(H)2	C[4,5](C[4,5]C[4]O[5]H)(C[4]C[4]CO)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[4,5](C[4,5]C[4]O[5]H)(C[4]C[4]CO)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[5]C[4,5]C[5]H)	110.8155	0.018	2	110.8155	0.000	2	110.8833	0.088	6	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:F-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2	C[4,5](C[4,5,5]C[4,5]C[5]2)(C[4]C[4,5]HH)(C[5]N[5]HH)(F)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5,5]C[4,5]C[5]2)(C[4]C[4,5]HH)(C[5]N[5]HH)(F){1|C<3>,1|C<4>,1|F<1>,1|N<3>,4|H<1>}	H(C[5]C[4,5]N[5]H)	110.9680	0.000	1	111.0715	0.021	2	111.0715	0.021	2	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:F-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2	C[4,5](C[4,5,5]C[4,5]C[5]2)(C[4]C[4,5]HH)(C[5]N[5]HH)(F)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5,5]C[4,5]C[5]2)(C[4]C[4,5]HH)(C[5]N[5]HH)(F){1|F<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[5]C[4,5]N[5]H)	111.1750	0.000	1	111.0715	0.021	2	111.0715	0.021	2	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(N[5]C[5]S)(H)2	C[4,5](C[4,5,5]C[4,5]C[5]O[5])(C[4]C[4,5]CC)(C[5]N[5]HH)(H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(N[5]C[5]S)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[4,5](C[4,5,5]C[4,5]C[5]O[5])(C[4]C[4,5]CC)(C[5]N[5]HH)(H){1|C<3>,1|N<2>,1|S<4>,3|H<1>}	H(C[5]C[4,5]N[5]H)	111.1895	0.011	2	111.1895	0.000	2	111.1895	0.000	2	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5,6]C)(H)2	C[4,5](C[4,5,6]C[6,6a]C[5,6]C[4])(C[4]C[4]HH)(C[5]N[5]HH)(H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5,6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[4,5](C[4,5,6]C[6,6a]C[5,6]C[4])(C[4]C[4]HH)(C[5]N[5]HH)(H){2|H<1>,4|C<3>}	H(C[5]C[4,5]N[5]H)	110.7095	0.030	2	110.7095	0.001	2	110.8727	0.080	3	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5]C)(H)2	C[4,5](C[4,5,6]C[4,6]C[5]C[6])(C[4]C[4,6]HH)(C[5]N[5]HH)(H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[4,5](C[4,5,6]C[4,6]C[5]C[6])(C[4]C[4,6]HH)(C[5]N[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	H(C[5]C[4,5]N[5]H)	111.1990	0.000	1	111.1990	0.000	1	110.8727	0.080	3	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]N[5]HH)(H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]N[5]HH)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[5]C[4,5]N[5]H)	110.9583	0.031	4	111.4705	2.445	8	111.4705	2.445	8	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]N[5]HH)(H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]N[5]HH)(H){1|S<4>,2|C<4>,5|H<1>}	H(C[5]C[4,5]N[5]H)	111.9827	2.237	4	111.4705	2.445	8	111.4705	2.445	8	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]N[5]HH)(H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[4,5]N[5]H)	111.0885	0.012	2	111.0234	0.032	5	111.0249	0.022	7	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]N[5]HH)(H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]N[5]HH)(H){1|C<3>,1|S<4>,2|H<1>}	H(C[5]C[4,5]N[5]H)	110.9800	0.240	3	111.0234	0.032	5	111.0249	0.022	7	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:1:	4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[6a]C[4]H)(C[5]N[5]HH)(H)	H(C[5]C[4,5]N[5]H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[6a]C[4]H)(C[5]N[5]HH)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5]C[4,5]N[5]H)	111.0285	0.046	2	111.0285	0.002	2	111.0249	0.022	7	110.6833	4.265	34	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:2:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]H)(H)2	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5]HH)(OC)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]H)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5]HH)(OC){1|O<2>,2|C<4>,5|H<1>}	H(C[5]C[4,5]C[5]H)	108.3370	4.005	2	108.3370	16.040	2	108.3370	16.040	2	108.3370	16.040	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:3:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:N-3:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]N)(C[5]C[5]H)(H)2	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]C[6]C)(C[5]C[5]HH)(NCH)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]N)(C[5]C[5]H)(H)2{1|H<1>,4|C<4>}	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]C[6]C)(C[5]C[5]HH)(NCH){3|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	111.0330	0.021	2	111.0330	0.000	2	111.0330	0.000	2	111.0330	0.000	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:4:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2	C[4,5](C[4,5]C[4]C[5]O)(C[4]C[4]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]O)(C[4]C[4]HH)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>}	H(C[5]C[4,5]C[5]H)	111.1265	0.015	2	111.1265	0.000	2	111.1813	0.005	4	111.1813	0.005	4	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:1:1:	4:4:4:4:	4:	C[4,5]-4:C[5]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2	C[4,5](C[4,5]C[4]C[5]S)(C[4]C[4]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]H)(H)2{1|S<4>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]S)(C[4]C[4]HH)(C[5]C[5]HH)(CH3){1|C<4>,3|H<1>}	H(C[5]C[4,5]C[5]H)	111.2360	0.041	2	111.2360	0.002	2	111.1813	0.005	4	111.1813	0.005	4	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:2:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-3:O-2:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(OH)(H)	C[4,5](C[4,5]C[5]N[4]C)(C[5]C[5]HO)(C[4]N[4]O)(H)	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[4,5](C[4,5]C[5]N[4]C)(C[5]C[5]HO)(C[4]N[4]O)(H){1|C<4>,2|H<1>}	H(C[5]C[4,5]C[5]O)	108.1690	0.180	2	108.1690	0.032	2	108.1690	0.032	2	107.8080	0.407	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:2:1:	4:4:3:1:	4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5,6]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[4,5](C[4,5,6]C[5,6]C[6]N[4])(C[5]C[6a]O[5]H)(C[4]N[4]O)(H)	H(C[5]C[4,5]C[6a]O[5])	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[4,5](C[4,5,6]C[5,6]C[6]N[4])(C[5]C[6a]O[5]H)(C[4]N[4]O)(H){2|C<4>,2|H<1>,3|C<3>}	H(C[5]C[4,5]C[6a]O[5])	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	107.8080	0.407	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:2:1:	4:4:4:1:	4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[6a]O[5]H)(C[4]C[4]HN)(H)	H(C[5]C[4,5]C[6a]O[5])	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[6a]O[5]H)(C[4]C[4]HN)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[4,5]C[6a]O[5])	108.7960	0.000	1	108.7960	0.000	1	108.7740	0.001	2	108.7740	0.001	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:2:1:	4:4:4:1:	4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[4,5](C[4,5]C[5]N[4]C)(C[5]C[6a]O[5]H)(C[4]N[4]HH)(H)	H(C[5]C[4,5]C[6a]O[5])	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[4,5](C[4,5]C[5]N[4]C)(C[5]C[6a]O[5]H)(C[4]N[4]HH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[5]C[4,5]C[6a]O[5])	108.7520	0.000	1	108.7520	0.000	1	108.7740	0.001	2	108.7740	0.001	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:3:1:	4:4:4:1:	4:	C[4,5]-4:N[5]-3:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[4,5](C[4,5]N[4]O[5]H)(C[5]C[6a]N[5]H)(C[4]N[4]HH)(H)	H(C[5]C[4,5]C[6a]N[5])	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	C[4,5](C[4,5]N[4]O[5]H)(C[5]C[6a]N[5]H)(C[4]N[4]HH)(H){4|C<3>}	H(C[5]C[4,5]C[6a]N[5])	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:3:1:	4:4:4:2:	4:	C[4,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[4]-4:C[4]-4:S[5]-2:	C[5]-4:	C[5](C[4,5]C[4]2S[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[4,5](C[5]C[6a]N[5]H)(C[4]C[4]CC)2(S[5]C[5])	H(C[5]C[4,5]C[6a]N[5])	C[5](C[4,5]C[4]2S[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){3|C<3>,3|H<1>,5|C<4>}	C[4,5](C[5]C[6a]N[5]H)(C[4]C[4]CC)2(S[5]C[5]){2|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[5]C[4,5]C[6a]N[5])	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	107.2050	0.000	1	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:3:1:	4:4:4:4:	4:	C[4,5]-4:N[5]-3:C-3:H-1:	C[4]-4:C[4]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[4,5]C[4]2C[5])(N[5]C[5]H)(COO)(H)	C[4,5](C[4]N[4]HH)2(C[5]C[5]CH)(C[5]N[5]CH)	H(C[5]C[4,5]N[5]C)	C[5](C[4,5]C[4]2C[5])(N[5]C[5]H)(COO)(H){1|C<2>,1|C<3>,1|N<3>,6|H<1>}	C[4,5](C[4]N[4]HH)2(C[5]C[5]CH)(C[5]N[5]CH){2|C<3>,2|H<1>}	H(C[5]C[4,5]N[5]C)	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:4:1:	3:4:4:1:	4:	C[4,5]-4:C[5]-3:C-4:H-1:	N[4,5]-3:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H)	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]CH)(C[5]C[5]CH)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]CH)(C[5]C[5]CH)(H){1|C<3>,1|O<1>,1|S<2>}	H(C[5]C[4,5]C[5]C)	110.7825	1.135	2	110.7825	1.288	2	110.7825	1.288	2	110.7825	1.288	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:4:1:	4:4:2:1:	4:	C[4,5]-4:C[5]-3:C-4:H-1:	C[4,5]-4:C[5]-4:O[4]-2:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]O)(CH3)(H)	C[4,5](C[4,5]C[4]N[5]C)(C[5]C[5]CH)(O[4]C[4])(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[4,5](C[4,5]C[4]N[5]C)(C[5]C[5]CH)(O[4]C[4])(H){1|H<1>,2|O<1>}	H(C[5]C[4,5]C[5]C)	109.2713	2.394	3	109.2713	5.729	3	109.2713	5.729	3	109.2713	5.729	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:4:1:	4:4:3:1:	4:	C[4,5]-4:C[6a]-3:C[5]-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[4,5](C[4,5]C[5]O[4]C)(C[5]C[6a]C[5]H)(C[4]O[4]O)(H)	H(C[5]C[4,5]C[6a]C[5])	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[4,5](C[4,5]C[5]O[4]C)(C[5]C[6a]C[5]H)(C[4]O[4]O)(H){2|H<1>,4|C<3>}	H(C[5]C[4,5]C[6a]C[5])	108.7360	0.000	1	108.7360	0.000	1	108.7360	0.000	1	109.9347	1.079	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:4:1:	4:4:3:1:	4:	C[4,5]-4:N[5,5]-3:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(N[5,5]C[5,5]O[5])(CSeHH)(H)	C[4,5](C[4,5]C[5,5]N[4]H)(C[5]N[5,5]CH)(C[4]N[4]O)(H)	H(C[5]C[4,5]N[5,5]C)	C[5](C[4,5]C[4,5]C[4]H)(N[5,5]C[5,5]O[5])(CSeHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[5,5]N[4]H)(C[5]N[5,5]CH)(C[4]N[4]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[5]C[4,5]N[5,5]C)	110.5340	0.042	2	110.5340	0.002	2	110.5340	0.002	2	109.9347	1.079	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:4:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-3:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(CCOY)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]OY)(C[5]C[5]CH)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(CCOY)(H){1|C<4>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]OY)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	H(C[5]C[4,5]C[5]C)	107.0575	0.685	2	107.0575	0.469	2	108.0403	1.567	4	108.3893	1.590	6	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:4:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-3:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(CCHH)(H)	C[4,5](C[4,5]C[4]O[5]C)(C[4]C[4]HH)(C[5]C[5]CH)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(CCHH)(H){2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]O[5]C)(C[4]C[4]HH)(C[5]C[5]CH)(H){1|O<1>,2|C<4>}	H(C[5]C[4,5]C[5]C)	109.0230	0.608	2	109.0230	0.370	2	108.0403	1.567	4	108.3893	1.590	6	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:3:4:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-3:S-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5])(SC[6a]OO)(H)	C[4,5](C[4,5]C[4]N[5]C)(C[4]C[6a]C[4]H)(C[5]C[5]HS)(H)	H(C[5]C[4,5]C[5]S)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5])(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[4,5](C[4,5]C[4]N[5]C)(C[4]C[6a]C[4]H)(C[5]C[5]HS)(H){1|H<1>,4|C<3>}	H(C[5]C[4,5]C[5]S)	109.0875	1.336	2	109.0875	1.784	2	109.0875	1.784	2	108.3893	1.590	6	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	3:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,6a]-3:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,6a]C[4,6a]C[6a])(C[4,5]C[4,6a]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[4,5](C[4,6a]C[4,6a]C[6a])(C[4,5]C[4,6a]C[5]H)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[5]C[4,5]C[5]H)	110.8255	0.023	2	110.8255	0.001	2	110.9843	0.034	4	110.9843	0.034	4	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	3:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,6a]-3:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]O[5]HH)(H)2	C[4,5](C[4,6a]C[5a,6a]C[4,6a])(C[4,5]C[4,6a]O[5]H)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]O[5]HH)(H)2{1|H<1>,2|C<3>}	C[4,5](C[4,6a]C[5a,6a]C[4,6a])(C[4,5]C[4,6a]O[5]H)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[5]C[4,5]C[5]H)	111.1430	0.028	2	111.1430	0.001	2	110.9843	0.034	4	110.9843	0.034	4	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:3:3:4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:N[4,5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]N[4,5]C[6a])(C[5]C[6a]O[5]H)(H)2	C[4,5](C[4,5]C[4,5]C[5]H)(N[4,5]C[4,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]N[4,5]C[6a])(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[4,5](C[4,5]C[4,5]C[5]H)(N[4,5]C[4,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|C<3>,5|H<1>}	H(C[5]C[4,5]C[5]H)	111.7995	0.450	2	111.7995	0.203	2	111.7995	0.203	2	111.7995	0.203	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:3:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4,6]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4,6]C[5]O)(C[4,6]C[4,6]C[6])(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[4,6]C[5]O)(C[4,6]C[4,6]C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,6|H<1>}	H(C[5]C[4,5]C[5]H)	109.7785	2.495	4	109.7785	6.223	4	109.7785	6.223	4	109.7785	6.223	4	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:3:4:2:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[6a]-3:C[5]-4:O[4]-2:	C[5]-4:	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]C[5]H)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[4]C[4])	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]C[5]H)(H)2{1|N<2>,2|H<1>,5|C<3>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[4]C[4]){1|O<1>,3|H<1>,4|C<3>}	H(C[5]C[4,5]C[5]H)	110.7205	0.011	2	110.7205	0.000	2	110.7205	0.000	2	110.7205	0.000	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:3:4:4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[6a]-3:C[4]-4:C[5]-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4]C[5]Si)(C[6a]C[6a]2)(C[4]C[4]HH)(C[5]C[5]HH)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(H)2{1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]Si)(C[6a]C[6a]2)(C[4]C[4]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,7|H<1>}	H(C[5]C[4,5]C[5]H)	110.5100	0.016	2	110.5100	0.000	2	110.5100	0.000	2	110.5100	0.000	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:2:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:O[4]-2:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]H)(C[5]C[6a]C[5]H)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]O[4]H)(C[5]C[6a]C[5]H)(H)2{2|H<1>,4|C<3>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[4,5]C[5]H)	110.2700	2.061	2	110.2700	4.246	2	110.2700	4.246	2	110.2700	4.246	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:2:3:	4:	C[4,5]-4:C[5,6,6]-4:H-1:H-1:	C[4,5,6,6]-4:C[5]-4:O[4]-2:C[6a]-3:	C[5]-4:	C[5](C[4,5]C[4,5,6,6]C[6a]O[4])(C[5,6,6]C[5,3x6]C[6,6]H)(H)2	C[4,5](C[4,5,6,6]C[4,6,6]C[5,3x6]H)(C[5]C[5,6,6]HH)(O[4]C[4,6,6])(C[6a]C[6a]2)	H(C[5]C[5,6,6]C[4,5]H)	C[5](C[4,5]C[4,5,6,6]C[6a]O[4])(C[5,6,6]C[5,3x6]C[6,6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[4,5](C[4,5,6,6]C[4,6,6]C[5,3x6]H)(C[5]C[5,6,6]HH)(O[4]C[4,6,6])(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5,6,6]C[4,5]H)	110.7205	0.012	2	110.7205	0.000	2	110.7205	0.000	2	110.7205	0.000	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:2:4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]CC)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(CCHH)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]CC)(H)2{2|C<3>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(CCHH){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[4,5]C[5]H)	110.2750	0.000	1	110.2750	0.000	1	110.5756	0.035	5	110.5756	0.035	5	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:2:4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]CC)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(CH3)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[5]C[4,5]C[5]H)	110.5705	0.015	2	110.5705	0.000	2	110.5756	0.035	5	110.5756	0.035	5	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:2:4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:O[4]-2:C-4:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(CH3)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(O[4]C[4])(CH3){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[4,5]C[5]H)	110.7310	0.035	2	110.7310	0.001	2	110.5756	0.035	5	110.5756	0.035	5	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]CC)(H)2	C[4,5](C[4,5,5]C[5,5]C[5]O[4])(C[5]C[5]HH)(C[4]O[4]O)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]CC)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[4,5](C[4,5,5]C[5,5]C[5]O[4])(C[5]C[5]HH)(C[4]O[4]O)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5]C[5]H)	110.6735	0.025	2	110.6735	0.001	2	110.6735	0.001	2	110.8694	0.021	13	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(C[4]C[4]C)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(C[4]C[4]C)(H){3|C<3>,3|H<1>}	H(C[5]C[4,5]C[5]H)	110.7375	0.005	2	110.7375	0.000	2	110.9050	0.016	11	110.8694	0.021	13	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(C[4]C[4]O)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]HH)(C[4]C[4]O)(H){1|C<4>,5|H<1>}	H(C[5]C[4,5]C[5]H)	110.8820	0.004	2	110.8820	0.000	2	110.9050	0.016	11	110.8694	0.021	13	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[6a]C[5]O[4])(C[5]C[5]HH)(C[4]O[4]O)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[4,5](C[4,5]C[6a]C[5]O[4])(C[5]C[5]HH)(C[4]O[4]O)(H){3|C<3>,3|H<1>}	H(C[5]C[4,5]C[5]H)	111.0188	0.069	5	111.0188	0.005	5	110.9050	0.016	11	110.8694	0.021	13	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5]H)(H)2	C[4,5](C[4,5]C[4]N[5]H)(C[5]C[5]HH)(C[4]C[4]C)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[4,5](C[4,5]C[4]N[5]H)(C[5]C[5]HH)(C[4]C[4]C)(H){1|H<1>,3|C<3>}	H(C[5]C[4,5]C[5]H)	110.8110	0.030	2	110.8110	0.001	2	110.9050	0.016	11	110.8694	0.021	13	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:3:2:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4]-4:C[5]-4:C[4]-3:O[5]-2:	C[5]-4:	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HH)(H)2	C[4,5](C[4]C[6a]N[4]H)(C[5]C[5]HH)(C[4]N[4]O)(O[5]C[5])	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[4,5](C[4]C[6a]N[4]H)(C[5]C[5]HH)(C[4]N[4]O)(O[5]C[5]){3|C<3>,4|H<1>}	H(C[5]C[4,5]C[5]H)	111.4255	0.153	6	111.4255	0.023	6	111.3699	0.027	8	111.3699	0.027	8	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:3:2:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4]-4:C[5]-4:C[4]-3:O[5]-2:	C[5]-4:	C[5](C[4,5]C[4]2O[5])(C[5]N[5]CH)(H)2	C[4,5](C[4]N[4]HH)(C[5]C[5]HH)(C[4]N[4]O)(O[5]N[5])	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2O[5])(C[5]N[5]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[4,5](C[4]N[4]HH)(C[5]C[5]HH)(C[4]N[4]O)(O[5]N[5]){1|H<1>,3|C<3>}	H(C[5]C[4,5]C[5]H)	111.2030	0.021	2	111.2030	0.000	2	111.3699	0.027	8	111.3699	0.027	8	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:3:3:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4]-4:C[5]-4:C[4]-3:N[5]-3:	C[5]-4:	C[5](C[4,5]C[4]2N[5])(C[5]C[5]HO)(H)2	C[4,5](C[4]C[6a]N[4]H)(C[5]C[5]HH)(C[4]N[4]O)(N[5]C[5]C)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2N[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[4,5](C[4]C[6a]N[4]H)(C[5]C[5]HH)(C[4]N[4]O)(N[5]C[5]C){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[5]C[4,5]C[5]H)	111.0255	0.009	2	111.0255	0.000	2	111.0255	0.000	2	111.0255	0.000	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:Br-1:H-1:	C[4,5]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(Br)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]BrH)(C[4]C[4]HH)(H)	H(C[5]C[4,5]C[5]Br)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(Br)(H){1|C<4>,5|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[5]BrH)(C[4]C[4]HH)(H){1|C<2>,2|O<2>,3|H<1>}	H(C[5]C[4,5]C[5]Br)	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,3x5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2	C[4,5](C[4,3x5]C[4,5]C[5,5]2)(C[4]C[4,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[4,5](C[4,3x5]C[4,5]C[5,5]2)(C[4]C[4,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	110.7850	1.807	2	110.6593	1.221	4	110.6593	1.221	4	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,3x5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2	C[4,5](C[4,3x5]C[4,5]C[5,5]2)(C[4]C[4,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,3x5]C[4]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	C[4,5](C[4,3x5]C[4,5]C[5,5]2)(C[4]C[4,5]HH)(C[5]C[5]HH)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	110.5335	0.578	2	110.6593	1.221	4	110.6593	1.221	4	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,4]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,4]C[4,6,6]C[4,4]H)(C[4,5]C[4,4]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,4]C[4,5]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[4,5](C[4,4]C[4,6,6]C[4,4]H)(C[4,5]C[4,4]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	111.4715	3.921	2	111.4715	15.374	2	111.4715	15.374	2	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(H)2	C[4,5](C[4,5,5]C[4,5,5]C[5,5]H)(C[4,5]C[4,5,5]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(H)2{3|C<4>,3|H<1>}	C[4,5](C[4,5,5]C[4,5,5]C[5,5]H)(C[4,5]C[4,5,5]C[5]H)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[4,5]C[5]H)	110.9497	0.139	7	110.9497	0.019	7	110.7799	0.046	15	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]C[5]H)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(C[5]C[4,5]C[5]H)	110.6314	0.148	8	110.6314	0.022	8	110.7799	0.046	15	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]HH)(H)2	C[4,5](C[4,5,5]C[4,5]C[5,5]H)(C[4]C[4,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5,5]HH)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[4,5](C[4,5,5]C[4,5]C[5,5]H)(C[4]C[4,5]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[4,5]C[5]H)	110.7355	0.050	2	110.7355	0.003	2	110.6602	0.037	11	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]CC)(H)2	C[4,5](C[4,5,5]C[5,6a]C[4,5]C[5])(C[4]C[4,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,5](C[4,5,5]C[5,6a]C[4,5]C[5])(C[4]C[4,5]HH)(C[5]C[5]HH)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[5]C[4,5]C[5]H)	110.4515	0.009	2	110.4515	0.000	2	110.6602	0.037	11	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]CH)(H)2	C[4,5](C[4,5,5]C[5,6a]C[4,5]C[5])(C[4]C[4,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,5](C[4,5,5]C[5,6a]C[4,5]C[5])(C[4]C[4,5]HH)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,4|H<1>}	H(C[5]C[4,5]C[5]H)	110.5420	0.052	2	110.5420	0.003	2	110.6602	0.037	11	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,5,5]C[4,5]C[5]2)(C[4]C[4,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[4,5](C[4,5,5]C[4,5]C[5]2)(C[4]C[4,5]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	110.6865	0.023	2	110.6150	0.016	3	110.6602	0.037	11	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,5,5]C[4,5]C[5]2)(C[4]C[4,5]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	C[4,5](C[4,5,5]C[4,5]C[5]2)(C[4]C[4,5]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	110.4720	0.000	1	110.6150	0.016	3	110.6602	0.037	11	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,5,5]C[4,5]C[5]O[5])(C[4]C[4,5]C[5]H)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[4,5](C[4,5,5]C[4,5]C[5]O[5])(C[4]C[4,5]C[5]H)(C[5]C[5]HH)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[5]C[4,5]C[5]H)	110.9795	0.045	2	110.9795	0.002	2	110.6602	0.037	11	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]N[5]H)(H)2	C[4,5](C[4,5,6]C[4,5,6]C[5,5,6]C)(C[4,5]C[4,5,6]N[5]H)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]N[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	C[4,5](C[4,5,6]C[4,5,6]C[5,5,6]C)(C[4,5]C[4,5,6]N[5]H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[5]C[4,5]C[5]H)	110.1265	0.035	2	110.1265	0.001	2	110.1265	0.001	2	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]HH)(H)2	C[4,5](C[4,5,6]C[4,6]C[5,6]H)(C[4]C[4,6]CC)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	C[4,5](C[4,5,6]C[4,6]C[5,6]H)(C[4]C[4,6]CC)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[5]C[4,5]C[5]H)	110.7619	0.055	11	110.7619	0.003	11	110.8559	0.027	16	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,5,6]C[4,6]C[5]C[6])(C[4]C[4,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[4,5](C[4,5,6]C[4,6]C[5]C[6])(C[4]C[4,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[5]C[4,5]C[5]H)	111.0635	0.006	2	111.0127	0.005	4	110.8559	0.027	16	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,5,6]C[4,6]C[5]C[6])(C[4]C[4,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[4,5](C[4,5,6]C[4,6]C[5]C[6])(C[4]C[4,6]HH)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	110.9620	0.068	2	111.0127	0.005	4	110.8559	0.027	16	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]O[5]HH)(H)2	C[4,5](C[4,5,6]C[6,6a]C[4,6]O[5])(C[4]C[4,6]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[4,5](C[4,5,6]C[6,6a]C[4,6]O[5])(C[4]C[4,6]HH)(C[5]C[5]HH)(H){2|H<1>,4|C<3>}	H(C[5]C[4,5]C[5]H)	111.2630	0.000	1	111.2630	0.000	1	110.8559	0.027	16	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4,5]C[5]C)2(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[4,5](C[4,5]C[4,5]C[5]C)2(C[5]C[5]HH)(H){2|C<4>,2|O<1>,3|H<1>}	H(C[5]C[4,5]C[5]H)	110.6115	0.006	2	110.6115	0.000	2	110.6115	0.000	2	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4,6]C[5]O)(C[4,6]C[4,6]C[6]O)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	C[4,5](C[4,5]C[4,6]C[5]O)(C[4,6]C[4,6]C[6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[4,5]C[5]H)	110.2420	0.017	2	110.2420	0.000	2	110.2420	0.000	2	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[6a]C[4]H)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(H)2{2|C<3>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[6a]C[4]H)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	H(C[5]C[4,5]C[5]H)	110.2715	0.033	2	110.2715	0.001	2	110.5766	0.353	19	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4]C[5]C)(C[4]C[4]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]C)(C[4]C[4]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,4|H<1>}	H(C[5]C[4,5]C[5]H)	111.1100	0.000	1	111.1100	0.000	1	110.5766	0.353	19	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]C[5]HH)(H){1|O<1>,4|H<1>}	H(C[5]C[4,5]C[5]H)	110.8500	0.000	1	110.8500	0.000	1	110.5766	0.353	19	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CO)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HO)(H)2{1|Br<1>,1|C<2>,1|C<4>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CO)(C[5]C[5]HH)(H){1|Br<1>,1|O<2>,4|H<1>}	H(C[5]C[4,5]C[5]H)	110.3530	0.034	2	110.3530	0.001	2	110.5766	0.353	19	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]HH)(H)2	C[4,5](C[4,5]C[6a]C[4]N[5])(C[4]C[4]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,5](C[4,5]C[6a]C[4]N[5])(C[4]C[4]HH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	H(C[5]C[4,5]C[5]H)	110.7180	0.023	2	110.6205	0.013	4	110.5766	0.353	19	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]HH)(H)2	C[4,5](C[4,5]C[6a]C[4]N[5])(C[4]C[4]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[4,5](C[4,5]C[6a]C[4]N[5])(C[4]C[4]HH)(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	H(C[5]C[4,5]C[5]H)	110.5230	0.017	2	110.6205	0.013	4	110.5766	0.353	19	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CH)(H)2	C[4,5](C[4,5]C[4]O[5]S)(C[4]C[4]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[4,5](C[4,5]C[4]O[5]S)(C[4]C[4]HH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>}	H(C[5]C[4,5]C[5]H)	110.9813	0.064	4	110.9813	0.004	4	110.5766	0.353	19	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2	C[4,5](C[4,5]C[4]O[5]H)(C[4]C[4]CH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2{2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]O[5]H)(C[4]C[4]CH)(C[5]C[5]HH)(H){1|C<4>,3|H<1>}	H(C[5]C[4,5]C[5]H)	110.8325	0.030	2	110.8325	0.001	2	110.5766	0.353	19	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2	C[4,5](C[4,5]C[4]O[5]H)(C[4]C[4]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2{1|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]O[5]H)(C[4]C[4]HH)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5]C[4,5]C[5]H)	109.1335	0.023	2	109.8917	1.725	3	110.5766	0.353	19	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2	C[4,5](C[4,5]C[4]O[5]H)(C[4]C[4]HH)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]HH)(H)2{1|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]O[5]H)(C[4]C[4]HH)(C[5]C[5]HH)(H){1|C<3>,3|H<1>}	H(C[5]C[4,5]C[5]H)	111.4080	0.000	1	109.8917	1.725	3	110.5766	0.353	19	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,6]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2	C[4,5](C[4,6]C[4,6]C[5,6]H)(C[4,5]C[4,6]C[5]O)(C[5]C[5]HH)(H)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[4,5](C[4,6]C[4,6]C[5,6]H)(C[4,5]C[4,6]C[5]O)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5]C[4,5]C[5]H)	111.1115	0.019	2	111.1115	0.000	2	111.1115	0.000	2	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:S[5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]2H)(S[5]C[5]OO)(H)2	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]S[5]HH)(H)	H(C[5]C[4,5]S[5]H)	C[5](C[4,5]C[4,5]2H)(S[5]C[5]OO)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]S[5]HH)(H){1|C<4>,1|N<3>,2|O<1>,5|H<1>}	H(C[5]C[4,5]S[5]H)	115.0203	1.065	4	115.0203	1.134	4	115.0203	1.134	4	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:S[5]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(S[5]C[5]OO)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]S[5]HH)(H)	H(C[5]C[4,5]S[5]H)	C[5](C[4,5]C[4,5]C[4]H)(S[5]C[5]OO)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]S[5]HH)(H){1|C<3>,2|O<1>,3|H<1>}	H(C[5]C[4,5]S[5]H)	111.2127	0.260	7	111.2127	0.068	7	111.2127	0.068	7	110.9570	1.223	87	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:2:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]O)(C[5]C[5]CH)(H)2	C[4,5](C[4,5,6]C[4,6]C[5,6]C[5])(C[4]C[4,6]HH)(C[5]C[5]HH)(OH)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5,6]C[4]O)(C[5]C[5]CH)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5,6]C[4,6]C[5,6]C[5])(C[4]C[4,6]HH)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,5|H<1>}	H(C[5]C[4,5]C[5]H)	110.5327	0.140	3	110.5327	0.020	3	110.5327	0.020	3	109.7838	5.948	13	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:2:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5]HH)(OC)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5]HH)(OC){1|O<2>,2|C<4>,6|H<1>}	H(C[5]C[4,5]C[5]H)	111.0020	0.000	1	111.0020	0.000	1	109.0930	10.656	7	109.7838	5.948	13	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:2:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5]HH)(OH)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]C[6]H)(C[5]C[5]HH)(OH){2|C<3>,6|H<1>}	H(C[5]C[4,5]C[5]H)	110.7280	0.030	2	110.7280	0.001	2	109.0930	10.656	7	109.7838	5.948	13	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:2:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]O[6]H)(C[5]C[5]HH)(OH)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4,6]O)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[4,5](C[4,5]C[4,6]C[5]H)(C[4,6]C[4,6]O[6]H)(C[5]C[5]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	H(C[5]C[4,5]C[5]H)	107.7982	4.010	4	107.7982	16.080	4	109.0930	10.656	7	109.7838	5.948	13	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:2:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[4]-4:C[5]-4:O[4]-2:	C[5]-4:	C[5](C[4,5]C[5,6]C[4]O[4])(C[5]C[5,6]HH)(H)2	C[4,5](C[5,6]C[5,6]C[6]C)(C[4]C[4]HH)(C[5]C[5]HH)(O[4]C[4])	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[5,6]C[4]O[4])(C[5]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	C[4,5](C[5,6]C[5,6]C[6]C)(C[4]C[4]HH)(C[5]C[5]HH)(O[4]C[4]){3|C<4>,6|H<1>}	H(C[5]C[4,5]C[5]H)	110.6467	0.266	3	110.6467	0.071	3	110.6467	0.071	3	109.7838	5.948	13	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:3:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4]-4:C[4]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(H)2	C[4,5](C[4]C[4,5]C[6a]H)2(C[5]C[5]HH)(C[5]C[5]O)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4]C[4,5]C[6a]H)2(C[5]C[5]HH)(C[5]C[5]O){2|C<4>,3|H<1>,5|C<3>}	H(C[5]C[4,5]C[5]H)	111.3930	0.011	2	111.3930	0.000	2	111.4935	0.014	4	110.8151	0.240	15	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:3:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4]-4:C[4]-4:C[5]-4:C[5]-3:	C[5]-4:	C[5](C[4,5]C[4]2C[5])(C[5]O[5]HH)(H)2	C[4,5](C[4]C[4,5]C[6a]H)2(C[5]C[5]HH)(C[5]O[5]O)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2C[5])(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[4,5](C[4]C[4,5]C[6a]H)2(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|H<1>,5|C<3>}	H(C[5]C[4,5]C[5]H)	111.5940	0.007	2	111.5940	0.000	2	111.4935	0.014	4	110.8151	0.240	15	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:3:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4]-4:C[4]-4:C[5]-4:N[5]-3:	C[5]-4:	C[5](C[4,5]C[4]2N[5])(C[5]C[6a]C[5]H)(H)2	C[4,5](C[4]C[4]HH)2(C[5]C[5]HH)(N[5]C[5]S)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2N[5])(C[5]C[6a]C[5]H)(H)2{1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[4,5](C[4]C[4]HH)2(C[5]C[5]HH)(N[5]C[5]S){1|C<3>,5|H<1>}	H(C[5]C[4,5]C[5]H)	110.3203	0.182	4	110.3203	0.033	4	110.3203	0.033	4	110.8151	0.240	15	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:3:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4]-4:C[5]-4:C[5]-4:O[4]-3:	C[5]-4:	C[5](C[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(H)2	C[4,5](C[4]B[4]CH)(C[5]C[5]HH)2(O[4]B[4]Li)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(H)2{1|Li<4>,1|B<4>,1|C<4>,5|H<1>}	C[4,5](C[4]B[4]CH)(C[5]C[5]HH)2(O[4]B[4]Li){2|C<3>,4|H<1>}	H(C[5]C[4,5]C[5]H)	110.6680	0.394	3	110.6680	0.155	3	110.6680	0.155	3	110.8151	0.240	15	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:3:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[4]-4:C[5]-4:C[4]-3:	C[5]-4:	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5]C)(H)2	C[4,5](C[5]C[6a]O[5]C)(C[4]N[4]HH)(C[5]C[5]HH)(C[4]N[4]O)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5]C)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[4,5](C[5]C[6a]O[5]C)(C[4]N[4]HH)(C[5]C[5]HH)(C[4]N[4]O){5|C<3>}	H(C[5]C[4,5]C[5]H)	110.7417	0.025	4	110.7417	0.001	4	110.7417	0.001	4	110.8151	0.240	15	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,3x5]-4:C[4]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[4,5]C[4,3x5]C[4]C)(C[5]C[5,5]HH)(H)2	C[4,5](C[4,3x5]C[4,5]C[5,5]2)(C[4]C[4,5]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,3x5]C[4]C)(C[5]C[5,5]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	C[4,5](C[4,3x5]C[4,5]C[5,5]2)(C[4]C[4,5]HH)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5]C[4,5]C[5]H)	110.6000	0.048	2	110.6000	0.002	2	110.6000	0.002	2	109.8102	1.131	5	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HH)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CO)(C[5]C[5]HH)(CCHH)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CO)(C[5]C[5]HH)(CCHH){6|H<1>}	H(C[5]C[4,5]C[5]H)	110.1990	0.000	1	110.1990	0.000	1	109.2837	1.221	3	109.8102	1.131	5	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:1:1:	4:4:4:4:	4:	C[4,5]-4:C[5]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:C-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HO)(H)2	C[4,5](C[4,5]C[4]C[5]S)(C[4]C[4]HH)(C[5]C[5]HH)(CH3)	H(C[5]C[4,5]C[5]H)	C[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]HO)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]S)(C[4]C[4]HH)(C[5]C[5]HH)(CH3){1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[4,5]C[5]H)	108.8260	1.089	2	108.8260	1.186	2	109.2837	1.221	3	109.8102	1.131	5	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:2:1:	4:3:4:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:N[4]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H)	C[4,5](C[4,5]C[4]O[5]H)(N[4]C[6a]C[4])(C[5]C[5]HO)(H)	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H){1|H<1>,4|C<3>}	C[4,5](C[4,5]C[4]O[5]H)(N[4]C[6a]C[4])(C[5]C[5]HO)(H){1|H<1>,1|O<1>,3|C<3>}	H(C[5]C[4,5]C[5]O)	111.1810	0.216	4	111.1810	0.047	4	111.6136	0.971	5	111.3887	1.080	6	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:2:1:	4:3:4:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:N[4]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H)	C[4,5](C[4,5]C[4]O[5]O)(N[4]C[6a]C[4])(C[5]C[5]HO)(H)	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H){1|O<2>,2|C<3>}	C[4,5](C[4,5]C[4]O[5]O)(N[4]C[6a]C[4])(C[5]C[5]HO)(H){1|O<1>,2|C<3>,2|H<1>}	H(C[5]C[4,5]C[5]O)	113.3440	0.000	1	113.3440	0.000	1	111.6136	0.971	5	111.3887	1.080	6	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:2:1:	4:3:4:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4]-4:N[4,5]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]HH)(OC)(H)	C[4,5](C[4]C[6a]C[4]H)(N[4,5]C[4]C[5])(C[5]C[5]HO)(H)	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]HH)(OC)(H){2|C<3>,3|H<1>}	C[4,5](C[4]C[6a]C[4]H)(N[4,5]C[4]C[5])(C[5]C[5]HO)(H){1|O<1>,2|C<3>,4|H<1>}	H(C[5]C[4,5]C[5]O)	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	111.3887	1.080	6	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:2:1:	4:4:2:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:O[4]-2:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]O[4]H)(C[5]O[5]CH)(OH)(H)	C[4,5](C[4,5]N[5a]C[4]O[5])(C[5]C[5]HO)(O[4]C[4])(H)	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]O[4]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|N<3>}	C[4,5](C[4,5]N[5a]C[4]O[5])(C[5]C[5]HO)(O[4]C[4])(H){1|C<4>,2|C<3>,3|H<1>}	H(C[5]C[4,5]C[5]O)	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:2:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H)	C[4,5](C[4,5]C[4]O[5]H)(C[5]C[5]HO)(N[4]C[4]C)(H)	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	C[4,5](C[4,5]C[4]O[5]H)(C[5]C[5]HO)(N[4]C[4]C)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[5]C[4,5]C[5]O)	109.2660	0.000	1	109.2660	0.000	1	109.9395	0.907	2	109.9395	0.907	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:2:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H)	C[4,5](C[4,5]C[4]O[5]C)(C[5]C[5]HO)(N[4]C[4]C)(H)	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H){1|C<3>,2|C<4>}	C[4,5](C[4,5]C[4]O[5]C)(C[5]C[5]HO)(N[4]C[4]C)(H){1|O<1>,2|H<1>}	H(C[5]C[4,5]C[5]O)	110.6130	0.000	1	110.6130	0.000	1	109.9395	0.907	2	109.9395	0.907	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:2:1:	4:4:3:4:	4:	C[4,5]-4:C[6]-4:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-3:C-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[6]C[6]2H)(O[5]C[5])(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[6]O[5]H)(C[4]C[4]N)(CCHH)	H(C[5]C[4,5]C[6]O[5])	C[5](C[4,5]C[4,5]C[4]C)(C[6]C[6]2H)(O[5]C[5])(H){1|N<2>,3|C<4>,7|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[6]O[5]H)(C[4]C[4]N)(CCHH){2|C<4>,5|H<1>}	H(C[5]C[4,5]C[6]O[5])	108.2600	0.000	1	108.2600	0.000	1	108.2600	0.000	1	108.2600	0.000	1	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:2:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(OC)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]C[5]HO)(H)	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]C[5]HO)(H){1|C<4>,2|O<2>,3|H<1>}	H(C[5]C[4,5]C[5]O)	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:2:1:	4:4:4:2:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4]-4:C[4]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HO)(OH)(H)	C[4,5](C[4]N[4]HH)2(C[5]C[5]HO)(O[5]C[5])	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,5|H<1>}	C[4,5](C[4]N[4]HH)2(C[5]C[5]HO)(O[5]C[5]){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[5]C[4,5]C[5]O)	111.8800	0.508	2	111.8800	0.258	2	111.8800	0.258	2	111.8647	0.130	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:2:1:	4:4:4:2:	4:	C[5,5]-4:C[4,5]-4:O-2:H-1:	C[5]-4:C[4]-4:C[4]-4:O[5]-2:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]2O[5])(OC)(H)	C[4,5](C[5]C[5,5]HO)(C[4]S[4]CH)(C[4]S[4]HH)(O[5]C[5,5])	H(C[5]C[4,5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]2O[5])(OC)(H){1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[4,5](C[5]C[5,5]HO)(C[4]S[4]CH)(C[4]S[4]HH)(O[5]C[5,5]){2|H<1>,2|O<2>}	H(C[5]C[4,5]C[5,5]O)	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	111.8647	0.130	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:2:1:	4:4:4:4:	4:	C[4,5]-4:C[5]-4:C-2:H-1:	C[4]-4:C[4]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]N[5]H)(CN)(H)	C[4,5](C[4]N[4]HH)2(C[5]C[5]CH)(C[5]N[5]CH)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]N[5]H)(CN)(H){1|N<3>,3|C<3>,6|H<1>}	C[4,5](C[4]N[4]HH)2(C[5]C[5]CH)(C[5]N[5]CH){2|C<3>,2|H<1>}	H(C[5]C[4,5]C[5]C)	108.2300	1.056	2	108.2300	1.116	2	108.2300	1.116	2	108.8343	1.654	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:2:1:	4:4:4:4:	4:	C[4,5]-4:C[5]-4:O-2:H-1:	C[4,5]-4:C[4]-4:C[5]-4:Si-4:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]Si)(C[5]C[5]HH)(OC)(H)	C[4,5](C[4,5]C[6a]C[4]C[5])(C[4]C[4]HH)(C[5]C[5]HO)(SiC[6a]CC)	H(C[5]C[4,5]C[5]O)	C[5](C[4,5]C[4,5]C[4]Si)(C[5]C[5]HH)(OC)(H){1|C<3>,1|C<4>,4|H<1>}	C[4,5](C[4,5]C[6a]C[4]C[5])(C[4]C[4]HH)(C[5]C[5]HO)(SiC[6a]CC){2|C<3>,6|H<1>}	H(C[5]C[4,5]C[5]O)	110.0430	0.000	1	110.0430	0.000	1	110.0430	0.000	1	108.8343	1.654	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:3:1:	4:3:4:2:	4:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[6a]-3:C[5]-4:O[4]-2:	C[5]-4:	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[4]C[4])	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)(H){3|C<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(O[4]C[4]){1|O<1>,2|C<3>,6|H<1>}	H(C[5]C[4,5]C[5]C)	109.5893	1.021	3	109.5893	1.043	3	109.5893	1.043	3	109.5893	1.043	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]ClH)(COO)(H)	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]ClH)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H){3|Cl<1>,1|H<1>}	H(C[5]C[4,5]C[5]C)	107.8170	0.000	1	107.8170	0.000	1	108.5643	0.292	9	107.8542	3.099	11	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H)	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H){2|Cl<1>,2|H<1>}	H(C[5]C[4,5]C[5]C)	109.2250	0.000	1	108.7093	0.253	3	108.5643	0.292	9	107.8542	3.099	11	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H)	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HH)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H){4|H<1>}	H(C[5]C[4,5]C[5]C)	108.4515	0.326	2	108.7093	0.253	3	108.5643	0.292	9	107.8542	3.099	11	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H)	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]H)(C[5]S[5]HO)(COO)(H){1|C<4>,1|H<1>,1|O<1>}	C[4,5](C[4,5]C[4]S[5]H)(C[5]C[5]CH)(C[4]C[4]O)(H){2|Cl<1>,1|H<1>,1|O<2>}	H(C[5]C[4,5]C[5]C)	108.6268	0.545	5	108.6268	0.296	5	108.5643	0.292	9	107.8542	3.099	11	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[4,5](C[4,5]C[5]O[4]H)(C[5]C[6a]C[5]H)(C[4]O[4]O)(H)	H(C[5]C[4,5]C[6a]C[5])	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[4,5](C[4,5]C[5]O[4]H)(C[5]C[6a]C[5]H)(C[4]O[4]O)(H){3|C<3>,3|H<1>}	H(C[5]C[4,5]C[6a]C[5])	103.3000	0.000	1	103.3000	0.000	1	104.6585	3.691	2	107.8542	3.099	11	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:3:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[4,5](C[4,5]C[6a]C[5]O[4])(C[5]C[6a]C[5]H)(C[4]O[4]O)(H)	H(C[5]C[4,5]C[6a]C[5])	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[4,5](C[4,5]C[6a]C[5]O[4])(C[5]C[6a]C[5]H)(C[4]O[4]O)(H){1|N<2>,3|H<1>,4|C<3>}	H(C[5]C[4,5]C[6a]C[5])	106.0170	0.000	1	106.0170	0.000	1	104.6585	3.691	2	107.8542	3.099	11	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:3:1:	4:4:4:2:	4:	C[4,5]-4:C[5]-4:C-3:H-1:	C[4]-4:C[4]-4:C[5]-4:S[5]-2:	C[5]-4:	C[5](C[4,5]C[4]2S[5])(C[5]C[5]CH)(CC[6a]O)(H)	C[4,5](C[4]C[4]CC)2(C[5]C[5]CH)(S[5]C[5])	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4]2S[5])(C[5]C[5]CH)(CC[6a]O)(H){1|C<3>,2|H<1>,4|C<4>}	C[4,5](C[4]C[4]CC)2(C[5]C[5]CH)(S[5]C[5]){1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[4,5]C[5]C)	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:4:1:	3:4:4:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[4,6a]-3:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(CCHH)(H)	C[4,5](C[4,6a]C[4,6a]C[6a])(C[4,5]C[4,6a]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(CCHH)(H){2|C<3>,3|H<1>}	C[4,5](C[4,6a]C[4,6a]C[6a])(C[4,5]C[4,6a]C[5]H)(C[5]C[5]CH)(H){2|C<3>,5|H<1>}	H(C[5]C[4,5]C[5]C)	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	109.0507	1.022	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:4:1:	3:4:4:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	N[4,5]-3:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]N[4,5]C[4]H)(C[5]S[4,5,5]C[5]H)(CC[6a]HH)(H)	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]HO)(C[5]C[5]CH)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]N[4,5]C[4]H)(C[5]S[4,5,5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|C<5>,1|C<6>,1|O<2>,2|H<1>,2|O<1>}	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]HO)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|S<5>,2|H<1>}	H(C[5]C[4,5]C[5]C)	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	109.0507	1.022	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:4:1:	3:4:4:1:	4:	C[4,5]-4:C[5]-4:S-4:H-1:	C[4,5]-3:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO)(H)	C[4,5](C[4,5]C[4]C[5])(C[4]C[4]HS)(C[5]C[5]HS)(H)	H(C[5]C[4,5]C[5]S)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[4,5](C[4,5]C[4]C[5])(C[4]C[4]HS)(C[5]C[5]HS)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5]C[4,5]C[5]S)	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	109.0507	1.022	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:Cl-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClHH)(H)	C[4,5](C[4,5]C[6a]N[4]O[5])(C[5]C[5]CH)(C[4]N[4]O)(Cl)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClHH)(H){1|C<3>,1|N<3>,1|O<1>}	C[4,5](C[4,5]C[6a]N[4]O[5])(C[5]C[5]CH)(C[4]N[4]O)(Cl){2|H<1>,3|C<3>}	H(C[5]C[4,5]C[5]C)	108.9600	0.000	1	108.9600	0.000	1	108.9600	0.000	1	109.6815	1.041	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:4:1:	4:4:3:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(CH3)(H)	C[4,5](C[4,5]C[5]O[4]C)(C[5]C[5]CH)(C[4]O[4]O)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[5]O[4]C)(C[5]C[5]CH)(C[4]O[4]O)(H){2|C<3>,2|H<1>}	H(C[5]C[4,5]C[5]C)	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	109.6815	1.041	2	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CCHH)(H)	C[4,5](C[4,5,5]C[4,5,5]C[5,5]H)(C[4,5]C[4,5,5]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CCHH)(H){1|O<2>,2|H<1>,3|C<4>}	C[4,5](C[4,5,5]C[4,5,5]C[5,5]H)(C[4,5]C[4,5,5]C[5]H)(C[5]C[5]CH)(H){1|C<3>,1|O<2>,1|S<2>,3|C<4>,3|H<1>}	H(C[5]C[4,5]C[5]C)	108.1740	0.000	1	108.1740	0.000	1	107.2485	1.713	2	108.3220	4.314	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CH3)(H)	C[4,5](C[4,5,5]C[4,5,5]C[5,5]H)(C[4,5]C[4,5,5]C[5]H)(C[5]C[5]CH)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	C[4,5](C[4,5,5]C[4,5,5]C[5,5]H)(C[4,5]C[4,5,5]C[5]H)(C[5]C[5]CH)(H){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	H(C[5]C[4,5]C[5]C)	106.3230	0.000	1	106.3230	0.000	1	107.2485	1.713	2	108.3220	4.314	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4,5]	H	4:4:4:1:	4:4:4:1:	4:	C[4,5]-4:C[5]-4:C-4:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCHH)(H)	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]C[5]CH)(H)	H(C[5]C[4,5]C[5]C)	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]C[5]CH)(H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[4,5]C[5]C)	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	108.3220	4.314	3	110.4123	2.539	331	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	3:3:4:1:	4:4:4:1:	4:	C[5,6a]-3:N[5,5a]-3:C[4]-4:H-1:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H)	C[4](C[5]C[5,6a]N[5,5a]H)(C[4]C[4]HH)(C[4]C[4]HO)(H)	H(C[5]C[5,6a]N[5,5a]C[4])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[4]C[4]2H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,5|H<1>}	C[4](C[5]C[5,6a]N[5,5a]H)(C[4]C[4]HH)(C[4]C[4]HO)(H){2|H<1>,4|C<3>}	H(C[5]C[5,6a]N[5,5a]C[4])	110.8530	0.000	1	110.8530	0.000	1	110.8530	0.000	1	110.8530	0.000	1	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	3:4:4:1:	4:4:3:1:	4:	N[5,6]-3:C[4]-4:C[5]-4:H-1:	C[5]-4:C[4]-4:N[4]-3:H-1:	C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[4]C[4]N[4]H)(C[5]C[5]HN)(H)	C[4](C[5]N[5,6]C[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H)	H(C[5]N[5,6]C[4]C[5])	C[5](N[5,6]C[5,6]C[6])(C[4]C[4]N[4]H)(C[5]C[5]HN)(H){1|C<4>,4|H<1>,6|C<3>}	C[4](C[5]N[5,6]C[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	H(C[5]N[5,6]C[4]C[5])	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:2:2:1:	4:4:4:1:	4:	C[4]-4:O[5]-2:O[5]-2:H-1:	C[4,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4]C[4,6]C[4]H)(O[5]C[5])2(H)	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]O[5]2H)(H)	H(C[5]C[4]O[5]2)	C[5](C[4]C[4,6]C[4]H)(O[5]C[5])2(H){4|C<4>,5|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]O[5]2H)(H){1|N<3>,3|C<4>,3|H<1>}	H(C[5]C[4]O[5]2)	109.9610	0.000	1	110.0190	0.007	2	110.0190	0.007	2	110.0190	0.007	2	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:2:2:1:	4:4:4:1:	4:	C[4]-4:O[5]-2:O[5]-2:H-1:	C[4,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[4]C[4,6]C[4]H)(O[5]C[5])2(H)	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]O[5]2H)(H)	H(C[5]C[4]O[5]2)	C[5](C[4]C[4,6]C[4]H)(O[5]C[5])2(H){4|C<4>,5|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]O[5]2H)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[5]C[4]O[5]2)	110.0770	0.000	1	110.0190	0.007	2	110.0190	0.007	2	110.0190	0.007	2	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:2:1:	4:3:4:1:	4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:N[4]-3:C[4]-4:H-1:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[4](C[5]C[5]O[5]H)(N[4]C[6a]C[4])(C[4]C[4]CO)(H)	H(C[5]C[4]C[5]O[5])	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[4](C[5]C[5]O[5]H)(N[4]C[6a]C[4])(C[4]C[4]CO)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[4]C[5]O[5])	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	108.7550	1.286	4	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5,6]-4:C[4]-4:O[5]-2:H-1:	C[5]-4:N[4]-3:C[4]-4:H-1:	C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[4]C[4]N[4]H)(O[5]C[5])(H)	C[4](C[5]C[5,5,6]O[5]H)(N[4]C[6a]C[4])(C[4]C[4]HO)(H)	H(C[5]C[5,5,6]C[4]O[5])	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[4]C[4]N[4]H)(O[5]C[5])(H){1|C<4>,1|O<2>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[4](C[5]C[5,5,6]O[5]H)(N[4]C[6a]C[4])(C[4]C[4]HO)(H){1|O<1>,2|C<4>,4|C<3>}	H(C[5]C[5,5,6]C[4]O[5])	108.0470	0.000	1	108.0470	0.000	1	108.0470	0.000	1	108.7550	1.286	4	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:2:1:	4:3:4:1:	4:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	C[5]-4:N[4]-3:C[4]-4:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	C[4](C[5]C[5,5]O[5]H)(N[4]C[6a]C[4])(C[4]C[4]HO)(H)	H(C[5]C[5,5]C[4]O[5])	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[4](C[5]C[5,5]O[5]H)(N[4]C[6a]C[4])(C[4]C[4]HO)(H){1|O<1>,3|C<3>,3|C<4>}	H(C[5]C[5,5]C[4]O[5])	108.2625	0.081	2	108.2625	0.007	2	108.2625	0.007	2	108.7550	1.286	4	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:2:1:	4:4:2:1:	4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[4]-4:O[4]-2:H-1:	C[5]-4:	C[5](C[4]C[4]O[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[4](C[5]C[5]O[5]H)(C[4]C[4]CC)(O[4]C[4])(H)	H(C[5]C[4]C[5]O[5])	C[5](C[4]C[4]O[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,4|C<4>}	C[4](C[5]C[5]O[5]H)(C[4]C[4]CC)(O[4]C[4])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[4]C[5]O[5])	110.9270	0.465	2	110.9270	0.216	2	110.9270	0.216	2	110.9270	0.216	2	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:2:1:	4:4:3:1:	4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[3,4]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[4]C[3,4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[4](C[3,4]C[3]C[4]O[3])(C[5]C[5]O[5]H)(N[4]C[6a]C[4])(H)	H(C[5]C[4]C[5]O[5])	C[5](C[4]C[3,4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>}	C[4](C[3,4]C[3]C[4]O[3])(C[5]C[5]O[5]H)(N[4]C[6a]C[4])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[5]C[4]C[5]O[5])	110.7090	0.000	1	110.7090	0.000	1	110.7090	0.000	1	109.6320	1.085	9	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:2:1:	4:4:3:1:	4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[4,5]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[4]C[4,5]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[4](C[4,5]C[4]C[5]O[5])(C[5]C[5]O[5]H)(N[4]C[4]C)(H)	H(C[5]C[4]C[5]O[5])	C[5](C[4]C[4,5]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>}	C[4](C[4,5]C[4]C[5]O[5])(C[5]C[5]O[5]H)(N[4]C[4]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[4]C[5]O[5])	109.9420	1.021	2	109.9420	1.043	2	109.9420	1.043	2	109.6320	1.085	9	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:2:1:	4:4:3:1:	4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[4]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:	C[5](C[4]C[4]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[4](C[4]C[6a]N[4]H)(C[5]C[5]O[5]H)(C[4]N[4]O)(H)	H(C[5]C[4]C[5]O[5])	C[5](C[4]C[4]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[4](C[4]C[6a]N[4]H)(C[5]C[5]O[5]H)(C[4]N[4]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5]C[4]C[5]O[5])	110.4850	0.584	2	110.4850	0.341	2	110.4850	0.341	2	109.6320	1.085	9	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:2:1:	4:4:3:1:	4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[4]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(O[5]N[5])(H)	C[4](C[4]C[6a]C[4]H)(C[5]C[5]O[5]H)(N[4]C[6a]C[4])(H)	H(C[5]C[4]C[5]O[5])	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(O[5]N[5])(H){2|H<1>,5|C<3>}	C[4](C[4]C[6a]C[4]H)(C[5]C[5]O[5]H)(N[4]C[6a]C[4])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5]C[4]C[5]O[5])	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	109.6320	1.085	9	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:2:1:	4:4:3:1:	4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[4]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[4](C[5]C[5]O[5]H)(C[4]C[4]CH)(N[4]C[4]C)(H)	H(C[5]C[4]C[5]O[5])	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[4](C[5]C[5]O[5]H)(C[4]C[4]CH)(N[4]C[4]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5]C[4]C[5]O[5])	109.8500	0.000	1	109.8500	0.000	1	109.8500	0.000	1	109.6320	1.085	9	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	C[5]-4:C[4]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	C[4](C[5]C[5,5]O[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H)	H(C[5]C[5,5]C[4]O[5])	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[4](C[5]C[5,5]O[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H){1|C<2>,1|O<1>,3|C<4>,4|C<3>}	H(C[5]C[5,5]C[4]O[5])	108.2160	0.000	1	108.3530	0.038	2	108.3530	0.038	2	109.6320	1.085	9	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:2:1:	4:4:3:1:	4:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	C[5]-4:C[4]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	C[4](C[5]C[5,5]O[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H)	H(C[5]C[5,5]C[4]O[5])	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[4](C[5]C[5,5]O[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H){1|O<1>,3|C<4>,5|C<3>}	H(C[5]C[5,5]C[4]O[5])	108.4900	0.000	1	108.3530	0.038	2	108.3530	0.038	2	109.6320	1.085	9	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:3:1:	4:4:2:1:	4:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[4]-4:O[4]-2:H-1:	C[5]-4:	C[5](C[4]C[4]O[4]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[4](C[5]C[5]N[5]H)(C[4]C[4,5]HH)(O[4]C[4,5])(H)	H(C[5]C[4]C[5]N[5])	C[5](C[4]C[4]O[4]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,6|H<1>}	C[4](C[5]C[5]N[5]H)(C[4]C[4,5]HH)(O[4]C[4,5])(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5]C[4]C[5]N[5])	109.1350	0.096	2	109.1350	0.009	2	109.1350	0.009	2	109.1350	0.009	2	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:3:1:	4:4:3:1:	4:	C[4]-4:C[5]-4:C[5]-3:H-1:	C[4]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[4](C[4]C[4]HH)(C[5]C[5]2H)(N[4]C[4]H)(H)	H(C[5]C[4]C[5]2)	C[5](C[4]C[4]N[4]H)(C[5]C[5]HH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,5|H<1>}	C[4](C[4]C[4]HH)(C[5]C[5]2H)(N[4]C[4]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[5]C[4]C[5]2)	108.4920	0.000	1	108.4920	0.000	1	108.4920	0.000	1	107.6557	1.201	7	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:3:1:	4:4:3:1:	4:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[4]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[4](C[4]C[6a]C[4]H)(C[5]C[5]N[5]H)(N[4]C[6a]C[4])(H)	H(C[5]C[4]C[5]N[5])	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[5]C[5]N[5]H)(N[4]C[6a]C[4])(H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	H(C[5]C[4]C[5]N[5])	108.9140	0.000	1	108.9140	0.000	1	107.2234	0.954	5	107.6557	1.201	7	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:3:1:	4:4:3:1:	4:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[4]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[4](C[4]C[6a]C[4]H)(C[5]C[5]N[5]H)(N[4]C[6a]C[4])(H)	H(C[5]C[4]C[5]N[5])	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[4](C[4]C[6a]C[4]H)(C[5]C[5]N[5]H)(N[4]C[6a]C[4])(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[5]C[4]C[5]N[5])	106.8007	0.285	4	106.8007	0.081	4	107.2234	0.954	5	107.6557	1.201	7	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[4]-4:N[5]-3:H-1:	C[5]-4:C[4]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5]2N[5])(C[4]C[4]N[4]H)(N[5]C[5]C)(H)	C[4](C[5]C[5,5]N[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H)	H(C[5]C[5,5]C[4]N[5])	C[5](C[5,5]C[5]2N[5])(C[4]C[4]N[4]H)(N[5]C[5]C)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[4](C[5]C[5,5]N[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H){1|N<2>,1|O<1>,3|C<4>,5|C<3>}	H(C[5]C[5,5]C[4]N[5])	108.9810	0.000	1	108.9810	0.000	1	108.9810	0.000	1	107.6557	1.201	7	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:4:1:	4:4:3:1:	4:	C[5,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[4]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[4]C[4]N[4]H)(C[5]C[5,5]CC)(H)	C[4](C[5]C[5,5]C[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H)	H(C[5]C[5,5]C[4]C[5])	C[5](C[5,5]N[5,5]C[5]H)(C[4]C[4]N[4]H)(C[5]C[5,5]CC)(H){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	C[4](C[5]C[5,5]C[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H){1|H<1>,1|N<3>,1|O<1>,2|C<2>,2|C<4>,4|C<3>}	H(C[5]C[5,5]C[4]C[5])	107.9230	0.000	1	107.9230	0.000	1	107.9230	0.000	1	107.7870	0.037	2	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[4]-4:N[4]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]N[4]H)(C[5]N[5]HH)(H)	C[4](C[5]C[5,6]C[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H)	H(C[5]C[5,6]C[4]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]N[4]H)(C[5]N[5]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[4](C[5]C[5,6]C[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	H(C[5]C[5,6]C[4]C[5])	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	107.7870	0.037	2	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:C[4]-4:C[4]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(C[4]C[4]2C)(H)	C[4](C[5]C[5,6]C[5]H)(C[4]C[4]HH)(C[4]C[4]C)(CH3)	H(C[5]C[5,6]C[4]C[5])	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)(C[4]C[4]2C)(H){2|C<3>,4|H<1>,5|C<4>}	C[4](C[5]C[5,6]C[5]H)(C[4]C[4]HH)(C[4]C[4]C)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(C[5]C[5,6]C[4]C[5])	103.6058	0.304	4	103.6058	0.092	4	103.6664	0.088	5	103.6664	0.088	5	108.2221	5.174	35	111.3122	6.412	840
474	478	951	0:SP3_SP-NON_SP3	C[5]	C[4]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:C[4]-4:C[4]-3:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[4]C[4]2C)(H)	C[4](C[5]C[5,6]C[5]H)(C[4]C[4]HH)(C[4]C[4]C)(CH3)	H(C[5]C[5,6]C[4]C[5])	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HO)(C[4]C[4]2C)(H){3|C<3>,4|C<4>,4|H<1>}	C[4](C[5]C[5,6]C[5]H)(C[4]C[4]HH)(C[4]C[4]C)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5]C[5,6]C[4]C[5])	103.9090	0.000	1	103.9090	0.000	1	103.6664	0.088	5	103.6664	0.088	5	108.2221	5.174	35	111.3122	6.412	840
474	478	952	0:SP3_SP3_SP3	C[5]	C[4,5]	S	4:3:4:1:	4:4:4:1:	4:3:1:1:	C[4,5]-4:C[5]-3:S-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:O-1:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5])(SC[6a]OO)(H)	C[4,5](C[4,5]C[4]N[5]C)(C[4]C[6a]C[4]H)(C[5]C[5]HS)(H)	S(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(O)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]N[5])(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	C[4,5](C[4,5]C[4]N[5]C)(C[4]C[6a]C[4]H)(C[5]C[5]HS)(H){1|H<1>,4|C<3>}	S(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(O)2	111.9565	1.245	2	111.9565	1.551	2	111.9565	1.551	2	111.9565	1.551	2	112.6457	2.200	3	112.6457	2.200	3
474	478	952	0:SP3_SP3_SP3	C[5]	C[4,5]	S	4:4:4:1:	3:4:4:1:	4:3:1:1:	C[4,5]-4:C[5]-4:S-4:H-1:	C[4,5]-3:C[4]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:O-1:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO)(H)	C[4,5](C[4,5]C[4]C[5])(C[4]C[4]HS)(C[5]C[5]HS)(H)	S(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(O)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[4,5](C[4,5]C[4]C[5])(C[4]C[4]HS)(C[5]C[5]HS)(H){1|C<4>,2|C<3>,2|H<1>}	S(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(O)2	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	114.0240	0.000	1	112.6457	2.200	3	112.6457	2.200	3
474	478	956	0:SP3_SP3_SP3	C[5,3x6]	C[4,5,6,6]	N	4:4:3:3:	4:4:4:1:	4:1:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:N-3:	C[4,5,5,6]-4:C[4,5,6,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:H-1:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(NHH)	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]N[6,6]N)(H)	N(C[5,3x6]C[4,5,6,6]C[5,5,3x6]N[6,6])(H)2	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(NHH){1|O<1>,4|C<4>,4|H<1>}	C[4,5,6,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6,6]C[4,5,5,6]C[5,3x6]H)(C[5,3x6]C[5,5,3x6]N[6,6]N)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	N(C[5,3x6]C[4,5,6,6]C[5,5,3x6]N[6,6])(H)2	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1
474	478	959	5:SP3_SP3_SP3	C[5]	C[4,5]	S[5]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[4,5]-4:S[5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-1:O-1:	C[5](C[4,5]C[4,5]2H)(S[5]C[5]OO)(H)2	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]S[5]HH)(H)	S[5](C[5]C[4,5]HH)2(O)2	C[5](C[4,5]C[4,5]2H)(S[5]C[5]OO)(H)2{2|C<4>,4|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)2(C[5]S[5]HH)(H){1|C<4>,1|N<3>,2|O<1>,5|H<1>}	S[5](C[5]C[4,5]HH)2(O)2{2|C<4>,2|H<1>}	104.3520	0.000	1	104.3520	0.000	1	104.3520	0.000	1	103.2722	1.815	5	103.2722	1.815	5	103.2722	1.815	5
474	478	959	5:SP3_SP3_SP3	C[5]	C[4,5]	S[5]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[4,5]-4:S[5]-4:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-1:O-1:	C[5](C[4,5]C[4,5]C[4]H)(S[5]C[5]OO)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]S[5]HH)(H)	S[5](C[5]C[4,5]HH)2(O)2	C[5](C[4,5]C[4,5]C[4]H)(S[5]C[5]OO)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]S[5]HH)(H){1|C<3>,2|O<1>,3|H<1>}	S[5](C[5]C[4,5]HH)2(O)2{2|C<4>,2|H<1>}	103.0023	1.391	4	103.0023	1.934	4	103.0023	1.934	4	103.2722	1.815	5	103.2722	1.815	5	103.2722	1.815	5
474	478	976	0:SP3_SP2_SP3	C[5,6,6]	C[4,6,6]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:B[5]-3:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[5]O[5])	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){4|C<4>,4|H<1>}	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|B<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[5]O[5]){1|Fe<10>,2|H<1>,5|C<4>}	107.6766	0.755	5	107.6766	0.570	5	107.6756	0.601	8	107.6756	0.601	8	107.7195	0.580	10	107.9133	0.634	21
474	478	976	0:SP3_SP2_SP3	C[5,6,6]	C[4,6,6]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:B[5]-3:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[6a]O[5])	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){1|C<3>,3|C<4>,4|H<1>}	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|B<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[6a]O[5]){2|C<3>,2|H<1>,3|C<4>}	108.2395	0.084	2	108.2395	0.007	2	107.6756	0.601	8	107.6756	0.601	8	107.7195	0.580	10	107.9133	0.634	21
474	478	976	0:SP3_SP2_SP3	C[5,6,6]	C[4,6,6]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:B[5]-3:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]O[5]C)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){4|C<4>,4|H<1>}	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|B<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]O[5]C){2|H<1>,3|C<4>}	106.5430	0.000	1	106.5430	0.000	1	107.6756	0.601	8	107.6756	0.601	8	107.7195	0.580	10	107.9133	0.634	21
474	478	976	0:SP3_SP2_SP3	C[5,6,6]	C[4,6,6]	O[5]	4:4:3:2:	4:4:4:1:	4:3:	C[4,6,6]-4:C[6,6]-4:C[5]-3:O[5]-2:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(C[5]C[5]O)(O[5]C[5])	C[4,6,6](C[5,6,6]C[6,6]C[5]O[5])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[5](C[5,6,6]C[4,6,6]C[6,6]C[5])(C[5]C[4]C[5])	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(C[5]C[5]O)(O[5]C[5]){4|C<4>,5|H<1>}	C[4,6,6](C[5,6,6]C[6,6]C[5]O[5])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5,6,6]C[4,6,6]C[6,6]C[5])(C[5]C[4]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	107.8950	0.970	2	107.8950	0.941	2	107.8950	0.941	2	107.8950	0.941	2	107.7195	0.580	10	107.9133	0.634	21
474	478	976	0:SP3_SP2_SP3	C[5,6]	C[4,6]	O[5]	4:4:2:1:	4:4:3:2:	4:3:	C[5,6]-4:C[4,6]-4:O[5]-2:H-1:	C[5,6]-4:C[4,6]-4:C[4]-3:C-2:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H)	C[4,6](C[5,6]C[5,6]O[5]H)(C[4,6]C[4]N[6]C)(C[4]C[4]H)(CN)	O[5](C[5,6]C[4,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H){1|C<2>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[4,6](C[5,6]C[5,6]O[5]H)(C[4,6]C[4]N[6]C)(C[4]C[4]H)(CN){2|H<1>,3|C<3>}	O[5](C[5,6]C[4,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	107.1880	0.000	1	108.2205	2.132	2	108.2205	2.132	2	108.2205	2.132	2	108.1160	1.099	3	107.9133	0.634	21
474	478	976	0:SP3_SP2_SP3	C[5,6]	C[4,6]	O[5]	4:4:2:1:	4:4:3:2:	4:3:	C[5,6]-4:C[4,6]-4:O[5]-2:H-1:	C[5,6]-4:C[4,6]-4:C[4]-3:C-2:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H)	C[4,6](C[5,6]C[5,6]O[5]H)(C[4,6]C[4]N[6]C)(C[4]C[4]H)(CN)	O[5](C[5,6]C[4,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[4,6]C[4,6]C[4]C)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[4,6](C[5,6]C[5,6]O[5]H)(C[4,6]C[4]N[6]C)(C[4]C[4]H)(CN){2|H<1>,3|C<3>}	O[5](C[5,6]C[4,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	109.2530	0.000	1	108.2205	2.132	2	108.2205	2.132	2	108.2205	2.132	2	108.1160	1.099	3	107.9133	0.634	21
474	478	976	0:SP3_SP2_SP3	C[5,6]	C[4,6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[4,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[4,6]-4:C[4]-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[4,6](C[5,6]C[5,6]O[5]H)(C[4,6]C[4]C[6]H)(C[4]C[4]BrH)(H)	O[5](C[5,6]C[4,6]C[5,6]H)(C[5]N[5]O)	C[5,6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|S<4>,3|H<1>}	C[4,6](C[5,6]C[5,6]O[5]H)(C[4,6]C[4]C[6]H)(C[4]C[4]BrH)(H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5,6]C[4,6]C[5,6]H)(C[5]N[5]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	108.1160	1.099	3	107.9133	0.634	21
474	478	976	0:SP3_SP2_SP3	C[5,6]	C[4]	O[5]	4:2:4:2:	4:4:4:2:	4:3:	C[5,6]-4:O[5]-2:C[4]-4:O[6]-2:	C[5,6]-4:C[4]-4:C[4]-4:O-2:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[4]C[4]2O)(O[6]C[6])	C[4](C[5,6]C[5,6]O[5]O[6])(C[4]C[4]HH)2(OH)	O[5](C[5,6]C[5,6]C[4]O[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[4]C[4]2O)(O[6]C[6]){2|C<3>,2|C<4>,8|H<1>}	C[4](C[5,6]C[5,6]O[5]O[6])(C[4]C[4]HH)2(OH){1|H<1>,2|C<4>,4|C<3>}	O[5](C[5,6]C[5,6]C[4]O[6])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	106.9160	0.000	1	106.9160	0.000	1	106.9160	0.000	1	106.9160	0.000	1	106.9160	0.000	1	107.9133	0.634	21
474	478	976	0:SP3_SP2_SP3	C[5]	C[4,4,5,6,6]	O[5]	4:4:2:1:	4:4:4:4:	4:3:	C[4,4,5,6,6]-4:C[5]-4:O[5]-2:H-1:	C[4,4,5,6,6]-4:C[4,5,5,3x6]-4:C[4,5,5,6]-4:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,3x6]C[4,5,5,6])(C[5]C[5]CH)(O[5]C[5])(H)	C[4,4,5,6,6](C[4,4,5,6,6]C[4,5,5,3x6]C[4,5,5,6]C[5])(C[4,5,5,3x6]C[3x5,3x6]C[4,5,5,6]C)(C[4,5,5,6]C[4,5,5,3x6]C[5,5]C)(C[5]C[5]O[5]H)	O[5](C[5]C[4,4,5,6,6]C[5]H)(C[5]C[5]O)	C[5](C[4,4,5,6,6]C[4,4,5,6,6]C[4,5,5,3x6]C[4,5,5,6])(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	C[4,4,5,6,6](C[4,4,5,6,6]C[4,5,5,3x6]C[4,5,5,6]C[5])(C[4,5,5,3x6]C[3x5,3x6]C[4,5,5,6]C)(C[4,5,5,6]C[4,5,5,3x6]C[5,5]C)(C[5]C[5]O[5]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	O[5](C[5]C[4,4,5,6,6]C[5]H)(C[5]C[5]O){2|H<1>,5|C<4>}	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	107.9133	0.634	21
474	478	976	0:SP3_SP2_SP3	C[5]	C[4]	O[5]	4:4:2:1:	4:3:4:1:	4:3:	C[5,5,6]-4:C[4]-4:O[5]-2:H-1:	C[5]-4:N[4]-3:C[4]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[4]C[4]N[4]H)(O[5]C[5])(H)	C[4](C[5]C[5,5,6]O[5]H)(N[4]C[6a]C[4])(C[4]C[4]HO)(H)	O[5](C[5]C[5,5,6]C[4]H)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[4]C[4]N[4]H)(O[5]C[5])(H){1|C<4>,1|O<2>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[4](C[5]C[5,5,6]O[5]H)(N[4]C[6a]C[4])(C[4]C[4]HO)(H){1|O<1>,2|C<4>,4|C<3>}	O[5](C[5]C[5,5,6]C[4]H)(C[5]C[5,5,6]O){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	108.1078	0.438	6	107.9133	0.634	21
474	478	976	0:SP3_SP2_SP3	C[5]	C[4]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[4]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[4](C[5]C[5]O[5]C)(C[4]C[4]CH)(C[4]C[4]HH)(H)	O[5](C[5]C[4]C[5]C)(C[5]C[5]O)	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[4](C[5]C[5]O[5]C)(C[4]C[4]CH)(C[4]C[4]HH)(H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[4]C[5]C)(C[5]C[5]O){2|C<4>,5|H<1>}	107.4100	0.000	1	107.4100	0.000	1	107.9406	0.338	5	107.9406	0.338	5	108.1078	0.438	6	107.9133	0.634	21
474	478	976	0:SP3_SP2_SP3	C[5]	C[4]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[4]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CHHO)	C[4](C[5]C[5]O[5]C)(C[4]C[4]CH)(C[4]C[4]HH)(H)	O[5](C[5]C[4]C[5]C)(C[5]C[5]O)	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CHHO){1|O<1>,2|C<4>,5|H<1>}	C[4](C[5]C[5]O[5]C)(C[4]C[4]CH)(C[4]C[4]HH)(H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[4]C[5]C)(C[5]C[5]O){2|C<4>,5|H<1>}	108.0733	0.578	4	108.0733	0.334	4	107.9406	0.338	5	107.9406	0.338	5	108.1078	0.438	6	107.9133	0.634	21
474	478	976	0:SP3_SP3_SP3	C[5,5,6]	C[4,5,6,6]	O[5]	4:4:2:2:	4:4:4:4:	4:4:	C[4,5,6,6]-4:C[5,5,6,6]-4:O[5]-2:O[5]-2:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[5,5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O[5]C[5])2	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6,6]O[5]2)(C[5,6]C[5,6]C[5]H)	O[5](C[5,5,6]C[4,5,6,6]C[5,5,6,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(O[5]C[5])2{2|C<3>,5|C<4>,8|H<1>}	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6,6]O[5]2)(C[5,6]C[5,6]C[5]H){1|C<3>,1|O<1>,7|C<4>,7|H<1>}	O[5](C[5,5,6]C[4,5,6,6]C[5,5,6,6]O[5])(C[5]C[5]HH){3|H<1>,5|C<4>}	112.3620	2.403	2	112.3620	5.773	2	112.3620	5.773	2	112.3620	5.773	2	112.3620	5.773	2	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,6,6]-4:C[4,5,6]-4:O[5]-2:O[5]-2:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O[5]C[5])2	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6,6]O[5]2)(H)	O[5](C[5,5,6]C[5,5,6,6]C[4,5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O[5]C[5])2{1|C<3>,3|C<4>,8|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6,6]O[5]2)(H){1|O<1>,3|H<1>,5|C<4>}	O[5](C[5,5,6]C[5,5,6,6]C[4,5,6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	112.2475	1.579	2	112.6805	5.078	4	112.6805	5.078	4	112.6805	5.078	4	112.1214	5.371	5	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[5,5,6,6]-4:C[4,5,6]-4:O[5]-2:O[5]-2:	C[4,5,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O[5]C[5])2	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6,6]O[5]2)(H)	O[5](C[5,5,6]C[5,5,6,6]C[4,5,6]O[5])(C[5]C[5]HH)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(O[5]C[5])2{4|C<4>,8|H<1>}	C[4,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6,6]O[5]2)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O[5](C[5,5,6]C[5,5,6,6]C[4,5,6]O[5])(C[5]C[5]HH){4|C<4>,4|H<1>}	113.1135	3.463	2	112.6805	5.078	4	112.6805	5.078	4	112.6805	5.078	4	112.1214	5.371	5	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[4,5,6]-4:C[5,5]-4:C[6]-4:O[5]-2:	C[5,5,6]-4:C[4,6]-4:C[4,5]-4:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,5]C[5]O[5]H)(C[6]C[5,6]HO)(O[5]C[5])	C[4,5,6](C[5,5,6]C[5,5]C[6]O[5])(C[4,6]C[5,6]C[4]C)(C[4,5]C[4]O[5]O)(H)	O[5](C[5,5,6]C[4,5,6]C[5,5]C[6])(C[5]C[5]CH)	C[5,5,6](C[4,5,6]C[4,5]C[4,6]H)(C[5,5]C[5]O[5]H)(C[6]C[5,6]HO)(O[5]C[5]){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[4,5,6](C[5,5,6]C[5,5]C[6]O[5])(C[4,6]C[5,6]C[4]C)(C[4,5]C[4]O[5]O)(H){1|O<2>,4|C<4>,5|H<1>}	O[5](C[5,5,6]C[4,5,6]C[5,5]C[6])(C[5]C[5]CH){2|O<2>,3|C<4>,5|H<1>}	109.8850	0.000	1	109.8850	0.000	1	109.8850	0.000	1	109.8850	0.000	1	112.1214	5.371	5	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5,5]	C[4,5]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[4,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[4,5]-4:N[4]-3:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[4,5]C[4,5]N[4]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	C[4,5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]O[5]H)(N[4]C[4]C)(H)	O[5](C[5,5]C[4,5]C[5,5]H)(C[5]O[5]CC)	C[5,5](C[4,5]C[4,5]N[4]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|H<1>,4|C<4>}	C[4,5](C[5,5]C[5,5]O[5]H)(C[4,5]C[4]O[5]H)(N[4]C[4]C)(H){1|C<4>,1|O<2>,3|H<1>}	O[5](C[5,5]C[4,5]C[5,5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	115.6780	0.000	1	115.6780	0.000	1	115.6780	0.000	1	115.6780	0.000	1	115.6780	0.000	1	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5,6,6]	C[4,6,6]	O[5]	4:2:2:1:	4:4:2:1:	4:4:	C[4,6,6]-4:O[5,6,6]-2:O[5]-2:H-1:	C[5,6,6]-4:C[4,6]-4:O[4,6]-2:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(O[5]C[5])(H)	C[4,6,6](C[5,6,6]O[5,6,6]O[5]H)(C[4,6]C[4,6,6]FH)(O[4,6]C[4,6,6])(H)	O[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(C[5]C[5,6,6]HH)	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	C[4,6,6](C[5,6,6]O[5,6,6]O[5]H)(C[4,6]C[4,6,6]FH)(O[4,6]C[4,6,6])(H){1|H<1>,2|C<4>}	O[5](C[5,6,6]C[4,6,6]O[5,6,6]H)(C[5]C[5,6,6]HH){1|O<2>,2|C<4>,2|H<1>}	109.7530	0.000	1	109.7530	0.000	1	109.7530	0.000	1	109.7530	0.000	1	108.0014	2.266	8	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5,6,6]	C[4,6,6]	O[5]	4:4:2:2:	4:4:4:1:	4:4:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:O-2:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH)	C[4,6,6](C[5,6,6]C[5,6,6]O[5]O)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]O)(C[5,6,6]C[6,6]2O[5])	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH){1|C<3>,4|C<4>,4|H<1>}	C[4,6,6](C[5,6,6]C[5,6,6]O[5]O)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[4,6,6]C[5,6,6]O)(C[5,6,6]C[6,6]2O[5]){1|O<1>,4|H<1>,5|C<4>}	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.0014	2.266	8	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5,6,6]	C[4,6,6]	O[5]	4:4:2:4:	4:4:4:1:	4:4:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:B[5,5]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CCHH)	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5,6a]N[5,5]O[5])	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CCHH){1|C<3>,1|N<4>,3|C<4>,4|H<1>}	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|B<4>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5,6a]N[5,5]O[5]){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	108.1755	0.510	2	108.1755	0.260	2	108.7380	1.079	3	108.7380	1.079	3	108.0014	2.266	8	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5,6,6]	C[4,6,6]	O[5]	4:4:2:4:	4:4:4:1:	4:4:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:B[5,5]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CH3)	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5]O[5]2)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CH3){1|O<2>,4|C<4>,4|H<1>}	C[4,6,6](C[5,6,6]C[5,6,6]O[5]C)(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){1|B<4>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5]O[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	109.8630	0.000	1	109.8630	0.000	1	108.7380	1.079	3	108.7380	1.079	3	108.0014	2.266	8	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5,6,6]	C[4,6,6]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[4,6,6]-4:C[6,6]-4:C[5]-4:O[5]-2:	C[5,6,6]-4:C[4,6]-4:C[4,6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(O[5]C[5,5])	C[4,6,6](C[5,6,6]C[6,6]C[5]O[5])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H)	O[5](C[5,6,6]C[4,6,6]C[6,6]C[5])(C[5,5]C[5]3)	C[5,6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(C[5]C[5]HH)(O[5]C[5,5]){1|O<2>,5|C<4>,5|H<1>}	C[4,6,6](C[5,6,6]C[6,6]C[5]O[5])(C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(H){3|C<4>,5|H<1>}	O[5](C[5,6,6]C[4,6,6]C[6,6]C[5])(C[5,5]C[5]3){1|C<3>,1|O<2>,6|C<4>,8|H<1>}	106.4350	0.743	3	106.4350	0.553	3	106.4350	0.553	3	106.4350	0.553	3	108.0014	2.266	8	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5]	C[4]	O[5]	4:2:2:1:	4:4:4:1:	4:4:	C[4]-4:O[5]-2:O[5]-2:H-1:	C[4,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[4]C[4,6]C[4]H)(O[5]C[5])2(H)	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]O[5]2H)(H)	O[5](C[5]C[4]O[5]H)(C[5]C[5]HH)	C[5](C[4]C[4,6]C[4]H)(O[5]C[5])2(H){4|C<4>,5|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]O[5]2H)(H){1|N<3>,3|C<4>,3|H<1>}	O[5](C[5]C[4]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	110.1715	1.138	2	110.3252	0.867	4	110.3252	0.867	4	110.3252	0.867	4	109.5968	2.398	20	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5]	C[4]	O[5]	4:2:2:1:	4:4:4:1:	4:4:	C[4]-4:O[5]-2:O[5]-2:H-1:	C[4,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[4]C[4,6]C[4]H)(O[5]C[5])2(H)	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]O[5]2H)(H)	O[5](C[5]C[4]O[5]H)(C[5]C[5]HH)	C[5](C[4]C[4,6]C[4]H)(O[5]C[5])2(H){4|C<4>,5|H<1>}	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[5]O[5]2H)(H){1|O<2>,3|C<4>,3|H<1>}	O[5](C[5]C[4]O[5]H)(C[5]C[5]HH){2|C<4>,3|H<1>}	110.4790	1.100	2	110.3252	0.867	4	110.3252	0.867	4	110.3252	0.867	4	109.5968	2.398	20	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5]	C[4]	O[5]	4:4:2:1:	4:3:4:1:	4:4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:N[4]-3:C[4]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[4](C[5]C[5]O[5]H)(N[4]C[6a]C[4])(C[4]C[4]CO)(H)	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[4](C[5]C[5]O[5]H)(N[4]C[6a]C[4])(C[4]C[4]CO)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	107.1790	0.000	1	107.1790	0.000	1	107.1790	0.000	1	108.9377	4.481	3	109.5968	2.398	20	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5]	C[4]	O[5]	4:4:2:1:	4:3:4:1:	4:4:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	C[5]-4:N[4]-3:C[4]-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	C[4](C[5]C[5,5]O[5]H)(N[4]C[6a]C[4])(C[4]C[4]HO)(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H)	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[4](C[5]C[5,5]O[5]H)(N[4]C[6a]C[4])(C[4]C[4]HO)(H){1|O<1>,3|C<3>,3|C<4>}	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	109.8170	2.079	2	109.8170	4.322	2	109.8170	4.322	2	108.9377	4.481	3	109.5968	2.398	20	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5]	C[4]	O[5]	4:4:2:1:	4:4:2:1:	4:4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[4]-4:O[4]-2:H-1:	C[5]-4:C[5]-4:	C[5](C[4]C[4]O[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[4](C[5]C[5]O[5]H)(C[4]C[4]CC)(O[4]C[4])(H)	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4]O[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,4|C<4>}	C[4](C[5]C[5]O[5]H)(C[4]C[4]CC)(O[4]C[4])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	106.8110	1.680	2	106.8110	2.823	2	106.8110	2.823	2	106.8110	2.823	2	109.5968	2.398	20	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5]	C[4]	O[5]	4:4:2:1:	4:4:3:1:	4:3:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[4]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:N[5]-3:	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(O[5]N[5])(H)	C[4](C[4]C[6a]C[4]H)(C[5]C[5]O[5]H)(N[4]C[6a]C[4])(H)	O[5](C[5]C[4]C[5]H)(N[5]C[6a]C[5])	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(O[5]N[5])(H){2|H<1>,5|C<3>}	C[4](C[4]C[6a]C[4]H)(C[5]C[5]O[5]H)(N[4]C[6a]C[4])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	O[5](C[5]C[4]C[5]H)(N[5]C[6a]C[5]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	109.5968	2.398	20	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5]	C[4]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[3,4]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[4]C[3,4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[4](C[3,4]C[3]C[4]O[3])(C[5]C[5]O[5]H)(N[4]C[6a]C[4])(H)	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[3,4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>}	C[4](C[3,4]C[3]C[4]O[3])(C[5]C[5]O[5]H)(N[4]C[6a]C[4])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	110.3020	0.000	1	110.3020	0.000	1	110.3020	0.000	1	110.2952	0.550	8	109.5968	2.398	20	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5]	C[4]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[4,5]-4:C[5]-4:N[4]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[4]C[4,5]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[4](C[4,5]C[4]C[5]O[5])(C[5]C[5]O[5]H)(N[4]C[4]C)(H)	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4,5]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>}	C[4](C[4,5]C[4]C[5]O[5])(C[5]C[5]O[5]H)(N[4]C[4]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.9615	1.197	2	109.9615	1.433	2	109.9615	1.433	2	110.2952	0.550	8	109.5968	2.398	20	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5]	C[4]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[4]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[4]C[4]2H)(C[5]O[5]HH)(O[5]C[5])(H)	C[4](C[4]C[6a]N[4]H)(C[5]C[5]O[5]H)(C[4]N[4]O)(H)	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4]2H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[4](C[4]C[6a]N[4]H)(C[5]C[5]O[5]H)(C[4]N[4]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	111.0420	0.337	2	111.0420	0.113	2	111.0420	0.113	2	110.2952	0.550	8	109.5968	2.398	20	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5]	C[4]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[4]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[4]-4:N[4]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H)	C[4](C[5]C[5]O[5]H)(C[4]C[4]CH)(N[4]C[4]C)(H)	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](C[4]C[4]N[4]H)(C[5]O[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[4](C[5]C[5]O[5]H)(C[4]C[4]CH)(N[4]C[4]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.3210	0.000	1	109.3210	0.000	1	109.3210	0.000	1	110.2952	0.550	8	109.5968	2.398	20	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5]	C[4]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	C[5]-4:C[4]-4:N[4]-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	C[4](C[5]C[5,5]O[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H)	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[4](C[5]C[5,5]O[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H){1|C<2>,1|O<1>,3|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H){1|C<2>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	110.4110	0.000	1	110.3660	0.004	2	110.3660	0.004	2	110.2952	0.550	8	109.5968	2.398	20	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5]	C[4]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5,5]-4:C[4]-4:O[5]-2:H-1:	C[5]-4:C[4]-4:N[4]-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H)	C[4](C[5]C[5,5]O[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H)	C[5](C[5,5]C[3x5]C[5]C)(C[4]C[4]N[4]H)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[4](C[5]C[5,5]O[5]H)(C[4]C[6a]C[4]H)(N[4]C[6a]C[4])(H){1|O<1>,3|C<4>,5|C<3>}	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[4]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	110.3210	0.000	1	110.3660	0.004	2	110.3660	0.004	2	110.2952	0.550	8	109.5968	2.398	20	109.9155	5.415	36
474	478	976	0:SP3_SP3_SP3	C[5]	C[4]	O[5]	4:4:4:2:	4:4:4:1:	4:4:	C[5,6]-4:C[4]-4:C[4]-4:O[5]-2:	C[5]-4:C[4]-4:C[4]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]2H)2(O[5]C[5,6])	C[4](C[5]C[5,6]C[4]O[5])(C[4]C[4]HH)2(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[4]2)	C[5](C[5,6]C[5,6]C[6]C)(C[4]C[4]2H)2(O[5]C[5,6]){12|H<1>,5|C<4>}	C[4](C[5]C[5,6]C[4]O[5])(C[4]C[4]HH)2(H){1|C<3>,3|H<1>,5|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[4]2){1|C<3>,6|C<4>,6|H<1>}	108.7220	1.519	2	108.7220	2.307	2	108.7220	2.307	2	108.7220	2.307	2	109.5968	2.398	20	109.9155	5.415	36
474	478	976	5:SP3_SP2_SP3	C[3x5,6]	C[4,3x5,6]	O[5,6]	4:4:2:1:	4:4:3:4:	4:3:	C[4,3x5,6]-4:C[5,5,6]-4:O[5,6]-2:H-1:	C[4,5,5,6,6]-4:C[3x5,6]-4:C[4,5]-3:C[6]-4:	C[3x5,6]-4:C[5,6]-3:	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5]C[6])(C[5,5,6]C[4,5,5,6]HH)(O[5,6]C[5,6])(H)	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[3x5,6]C[5,5,6]O[5,6]H)(C[4,5]C[4,5,5,6]C)(C[6]C[6]HH)	O[5,6](C[3x5,6]C[4,3x5,6]C[5,5,6]H)(C[5,6]C[4,5,5,6,6]O)	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5]C[6])(C[5,5,6]C[4,5,5,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6]C[5,6]C[6])(C[3x5,6]C[5,5,6]O[5,6]H)(C[4,5]C[4,5,5,6]C)(C[6]C[6]HH){1|C<4>,1|O<1>,7|H<1>}	O[5,6](C[3x5,6]C[4,3x5,6]C[5,5,6]H)(C[5,6]C[4,5,5,6,6]O){1|C<3>,2|H<1>,3|C<4>}	103.8700	0.000	1	103.8700	0.000	1	103.8700	0.000	1	103.8700	0.000	1	103.8525	0.001	2	104.5967	2.032	14
474	478	976	5:SP3_SP2_SP3	C[3x5,6]	C[4,3x5,6]	O[5,6]	4:4:2:1:	4:4:4:4:	4:3:	C[4,3x5,6]-4:C[5,5,6]-4:O[5,6]-2:H-1:	C[4,5,5,6,6]-4:C[4,5,6]-4:C[3x5,6]-4:C[6]-4:	C[3x5,6]-4:C[5,6]-3:	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[5,5,6]C[4,5,5,6,6]HH)(O[5,6]C[5,6])(H)	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[5,6]C[6])(C[4,5,6]C[4,5,5,6,6]O[6]H)(C[3x5,6]C[5,5,6]O[5,6]H)(C[6]C[6]HH)	O[5,6](C[3x5,6]C[4,3x5,6]C[5,5,6]H)(C[5,6]C[4,5,5,6,6]O)	C[3x5,6](C[4,3x5,6]C[4,5,5,6,6]C[4,5,6]C[6])(C[5,5,6]C[4,5,5,6,6]HH)(O[5,6]C[5,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[4,3x5,6](C[4,5,5,6,6]C[4,5,5,6,6]C[5,6]C[6])(C[4,5,6]C[4,5,5,6,6]O[6]H)(C[3x5,6]C[5,5,6]O[5,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	O[5,6](C[3x5,6]C[4,3x5,6]C[5,5,6]H)(C[5,6]C[4,5,5,6,6]O){2|H<1>,4|C<4>}	103.8350	0.000	1	103.8350	0.000	1	103.8350	0.000	1	103.8350	0.000	1	103.8525	0.001	2	104.5967	2.032	14
474	478	976	5:SP3_SP2_SP3	C[3x5,6]	C[4,3x5]	O[5,6]	4:4:2:1:	4:4:4:1:	4:3:	C[4,3x5]-4:C[5,5,6]-4:O[5,6]-2:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C[4,5]-4:H-1:	C[3x5,6]-4:C[5,6]-3:	C[3x5,6](C[4,3x5]C[4,5,5,6]C[4,5]H)(C[5,5,6]C[4,5,5,6]CC)(O[5,6]C[5,6])(H)	C[4,3x5](C[4,5,5,6]C[4,5,5,6]C[5,6]C)(C[3x5,6]C[5,5,6]O[5,6]H)(C[4,5]C[4,5,5,6]CH)(H)	O[5,6](C[3x5,6]C[4,3x5]C[5,5,6]H)(C[5,6]C[4,5,5,6]O)	C[3x5,6](C[4,3x5]C[4,5,5,6]C[4,5]H)(C[5,5,6]C[4,5,5,6]CC)(O[5,6]C[5,6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[4,3x5](C[4,5,5,6]C[4,5,5,6]C[5,6]C)(C[3x5,6]C[5,5,6]O[5,6]H)(C[4,5]C[4,5,5,6]CH)(H){1|H<1>,1|O<1>,2|C<4>}	O[5,6](C[3x5,6]C[4,3x5]C[5,5,6]H)(C[5,6]C[4,5,5,6]O){1|H<1>,5|C<4>}	103.4350	0.000	1	103.4350	0.000	1	103.4350	0.000	1	103.4350	0.000	1	103.4350	0.000	1	104.5967	2.032	14
474	478	976	5:SP3_SP2_SP3	C[5,5]	C[4,5,5]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[4,5,5]-4:C[5]-4:O[5]-2:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[4,5,5]C[4,5]2H)(C[5]C[5]HH)(O[5]C[5])(H)	C[4,5,5](C[4,5]C[4]C[5]C)(C[4,5]C[4]C[5]H)(C[5,5]C[5]O[5]H)(H)	O[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]O)	C[5,5](C[4,5,5]C[4,5]2H)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<4>,3|H<1>}	C[4,5,5](C[4,5]C[4]C[5]C)(C[4,5]C[4]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<1>,6|H<1>}	O[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5]O){3|H<1>,4|C<4>}	105.3630	0.000	1	105.3630	0.000	1	105.3630	0.000	1	105.3630	0.000	1	105.0075	0.253	2	104.5967	2.032	14
474	478	976	5:SP3_SP2_SP3	C[5,5]	C[4,5,5]	O[5]	4:4:2:4:	4:4:4:1:	4:3:	C[4,5,5]-4:C[5]-4:O[5]-2:C-4:	C[4,5,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH)	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]C[5]H)(C[5,5]C[5]O[5]C)(H)	O[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[4,5,5]C)	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<3>,2|H<1>,3|C<4>}	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]C[5]H)(C[5,5]C[5]O[5]C)(H){1|C<3>,1|S<2>,3|C<4>,5|H<1>}	O[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[4,5,5]C){3|H<1>,4|C<4>}	104.6520	0.000	1	104.6520	0.000	1	104.6520	0.000	1	104.6520	0.000	1	105.0075	0.253	2	104.5967	2.032	14
474	478	976	5:SP3_SP2_SP3	C[5]	C[4,5,5]	O[5]	4:2:4:4:	4:4:4:2:	4:3:	C[4,5,5]-4:O[5]-2:C-4:C-4:	C[4,5,6]-4:C[4,5]-4:C[5]-4:O[5]-2:	C[5]-4:C[5]-3:	C[5](C[4,5,5]C[4,5,6]C[4,5]O[5])(O[5]C[5])(CH3)2	C[4,5,5](C[4,5,6]C[4,6]C[5,6]H)(C[4,5]C[4,6]C[5]C)(C[5]O[5]CC)(O[5]C[5])	O[5](C[5]C[4,5,5]CC)(C[5]C[4,5]O)	C[5](C[4,5,5]C[4,5,6]C[4,5]O[5])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,4|C<4>}	C[4,5,5](C[4,5,6]C[4,6]C[5,6]H)(C[4,5]C[4,6]C[5]C)(C[5]O[5]CC)(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>}	O[5](C[5]C[4,5,5]CC)(C[5]C[4,5]O){1|O<2>,3|C<4>}	103.4860	0.000	1	103.4860	0.000	1	103.4860	0.000	1	103.4860	0.000	1	103.4860	0.000	1	104.5967	2.032	14
474	478	976	5:SP3_SP2_SP3	C[5]	C[4,5,6,6]	O[5]	4:2:4:4:	4:4:2:4:	4:3:	C[4,5,6,6]-4:O[5]-2:C-4:C-4:	C[4,5,6]-4:C[4,6,6]-4:O[6,6]-2:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[4,5,6,6]C[4,5,6]C[4,6,6]O[6,6])(O[5]C[5])(CH3)2	C[4,5,6,6](C[4,5,6]C[4,3x6]C[5]C)(C[4,6,6]C[4,3x6]C[6]H)(O[6,6]C[6,6])(C[5]O[5]CC)	O[5](C[5]C[4,5,6,6]CC)(C[5]C[4,5,6]O)	C[5](C[4,5,6,6]C[4,5,6]C[4,6,6]O[6,6])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[4,5,6,6](C[4,5,6]C[4,3x6]C[5]C)(C[4,6,6]C[4,3x6]C[6]H)(O[6,6]C[6,6])(C[5]O[5]CC){1|O<1>,2|C<4>,5|H<1>}	O[5](C[5]C[4,5,6,6]CC)(C[5]C[4,5,6]O){1|C<3>,1|O<2>,2|C<4>}	100.9280	0.000	1	100.9280	0.000	1	100.9280	0.000	1	100.9280	0.000	1	100.9280	0.000	1	104.5967	2.032	14
474	478	976	5:SP3_SP2_SP3	C[5]	C[4,5]	O[5]	4:2:1:1:	4:4:4:1:	4:3:	C[4,5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]O[5]HH)(H)	O[5](C[5]C[4,5]HH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>}	O[5](C[5]C[4,5]HH)(C[5]C[4,5]O){2|C<4>,2|H<1>}	105.4270	0.000	1	105.4270	0.000	1	105.5160	0.016	2	105.5160	0.016	2	105.5407	0.405	7	104.5967	2.032	14
474	478	976	5:SP3_SP2_SP3	C[5]	C[4,5]	O[5]	4:2:1:1:	4:4:4:1:	4:3:	C[4,5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]HH)(H)	O[5](C[5]C[4,5]HH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|C<4>,1|O<1>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	O[5](C[5]C[4,5]HH)(C[5]C[4,5]O){2|C<4>,2|H<1>}	105.6050	0.000	1	105.6050	0.000	1	105.5160	0.016	2	105.5160	0.016	2	105.5407	0.405	7	104.5967	2.032	14
474	478	976	5:SP3_SP2_SP3	C[5]	C[4,5]	O[5]	4:2:2:1:	4:4:4:1:	3:4:	C[4,5]-4:O[5]-2:O-2:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:H-1:	C[5]-3:C[5]-4:	C[5](C[4,5]C[4,5,5]C[4,5]H)(O[5]C[5])(OC)(H)	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]C[5]H)(C[5]O[5]HO)(H)	O[5](C[5]C[4,5,5]O)(C[5]C[4,5]HO)	C[5](C[4,5]C[4,5,5]C[4,5]H)(O[5]C[5])(OC)(H){1|H<1>,1|O<1>,3|C<4>}	C[4,5](C[4,5,5]C[4,5,5]C[5]2)(C[4,5]C[4,5,5]C[5]H)(C[5]O[5]HO)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5]C[4,5,5]O)(C[5]C[4,5]HO){1|H<1>,3|C<4>}	105.6590	0.000	1	105.6590	0.000	1	105.6590	0.000	1	105.6590	0.000	1	105.5407	0.405	7	104.5967	2.032	14
474	478	976	5:SP3_SP2_SP3	C[5]	C[4,5]	O[5]	4:2:4:1:	4:4:3:1:	4:3:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(H)	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(H){1|H<1>,1|O<1>}	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O){2|C<3>,2|H<1>}	105.7020	0.000	1	105.7020	0.000	1	105.7020	0.000	1	105.7020	0.000	1	105.5407	0.405	7	104.5967	2.032	14
474	478	976	5:SP3_SP2_SP3	C[5]	C[4,5]	O[5]	4:2:4:1:	4:4:3:4:	4:3:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:C-4:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(CH3)	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(CH3){1|H<1>,1|O<1>}	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O){1|C<4>,1|H<1>,2|C<3>}	106.2440	0.000	1	106.2440	0.000	1	106.2440	0.000	1	106.2440	0.000	1	105.5407	0.405	7	104.5967	2.032	14
474	478	976	5:SP3_SP2_SP3	C[5]	C[4,5]	O[5]	4:2:4:1:	4:4:4:1:	4:3:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]O[5]CH)(H)	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]O[5]CH)(H){1|O<1>,2|H<1>}	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O){2|C<4>,2|H<1>}	104.2240	0.000	1	104.2240	0.000	1	105.0740	1.445	2	105.0740	1.445	2	105.5407	0.405	7	104.5967	2.032	14
474	478	976	5:SP3_SP2_SP3	C[5]	C[4,5]	O[5]	4:2:4:1:	4:4:4:1:	4:3:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]CH)(H)	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]CH)(H){1|C<4>,1|H<1>,1|O<1>}	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O){2|C<4>,2|H<1>}	105.9240	0.000	1	105.9240	0.000	1	105.0740	1.445	2	105.0740	1.445	2	105.5407	0.405	7	104.5967	2.032	14
474	478	976	5:SP3_SP3_SP3	C[3x5,6]	C[4,5,5,6]	O[5,5]	4:4:2:2:	4:4:4:1:	4:4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:O-2:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]O)(H)	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH){1|C<3>,3|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]O)(H){1|C<3>,3|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O){4|C<4>,4|H<1>}	103.2880	0.000	1	103.1860	0.021	2	103.1860	0.021	2	103.1860	0.021	2	103.7807	0.797	6	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[3x5,6]	C[4,5,5,6]	O[5,5]	4:4:2:2:	4:4:4:1:	4:4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:O-2:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]O)(H)	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH){4|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]O)(H){3|H<1>,4|C<4>}	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O){4|C<4>,4|H<1>}	103.0840	0.000	1	103.1860	0.021	2	103.1860	0.021	2	103.1860	0.021	2	103.7807	0.797	6	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[3x5,6]	C[4,5,5,6]	O[5,5]	4:4:2:3:	4:4:4:1:	4:4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-3:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(COO)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]C)(H)	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(COO){1|O<2>,3|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]C)(H){1|O<2>,3|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O){4|C<4>,4|H<1>}	104.2790	0.000	1	104.2790	0.000	1	104.2790	0.000	1	104.2790	0.000	1	103.7807	0.797	6	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[3x5,6]	C[4,5,5,6]	O[5,5]	4:4:2:4:	4:4:4:1:	4:4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-4:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CCHH)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]C)(H)	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)2	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CCHH){4|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]C)(H){3|H<1>,4|C<4>}	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)2{4|C<4>,4|H<1>}	103.3220	0.045	2	103.3220	0.002	2	104.0110	1.425	3	104.0110	1.425	3	103.7807	0.797	6	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[3x5,6]	C[4,5,5,6]	O[5,5]	4:4:2:4:	4:4:4:1:	4:4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-4:	C[4,5,5,6]-4:C[4,5,5,6]-4:C[3x5,6]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CF3)	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]C)(H)	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CF3){1|O<2>,3|C<4>,4|H<1>}	C[4,5,5,6](C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)2(C[3x5,6]C[3x5,6,6]O[5,5]C)(H){1|O<2>,3|C<4>,3|H<1>}	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O){4|C<4>,4|H<1>}	105.3890	0.000	1	105.3890	0.000	1	104.0110	1.425	3	104.0110	1.425	3	103.7807	0.797	6	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5,6,6]	C[4,5,6,6]	O[5,5]	4:3:2:3:	4:4:3:3:	4:4:	C[4,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6]-3:	C[5,5,6,6]-4:C[4,5,6]-4:C[4,6a]-3:C[6]-3:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H)	C[4,5,6,6](C[5,5,6,6]C[5,6,6a]O[5,5]C[6])(C[4,5,6]C[5,5,6]C[4,6a]H)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]H)	O[5,5](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]C[6])(C[5,5,6]C[5,6,6a]C[4,5,6]H)	C[5,5,6,6](C[4,5,6,6]C[4,5,6]C[4,6a]C[6])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6]C[6]H){5|C<3>,5|H<1>}	C[4,5,6,6](C[5,5,6,6]C[5,6,6a]O[5,5]C[6])(C[4,5,6]C[5,5,6]C[4,6a]H)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]H){4|H<1>,5|C<3>}	O[5,5](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]C[6])(C[5,5,6]C[5,6,6a]C[4,5,6]H){2|H<1>,6|C<3>}	102.1900	0.000	1	102.1900	0.000	1	102.1900	0.000	1	102.1900	0.000	1	102.1900	0.000	1	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5,5]	4:2:3:1:	4:4:3:1:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,6]O[5,5]H)(C[4]C[4]O)(H)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,3|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,6]O[5,5]H)(C[4]C[4]O)(H){1|C<3>,4|H<1>}	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2{1|C<3>,1|C<4>,4|H<1>}	101.0190	0.000	1	101.0190	0.000	1	101.0190	0.000	1	101.0190	0.000	1	101.8196	0.656	32	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5,5]	4:2:3:1:	4:4:4:1:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]H)(H)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[4,5,6]C[5,6]H)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[4,5,6]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	101.4090	0.000	1	101.4090	0.000	1	101.8747	0.269	3	101.6355	0.408	4	101.8196	0.656	32	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5,5]	4:2:3:1:	4:4:4:1:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]H)(H)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2{2|C<3>,2|C<4>,2|H<1>}	102.1075	0.462	2	102.1075	0.213	2	101.8747	0.269	3	101.6355	0.408	4	101.8196	0.656	32	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5,5]	4:2:3:1:	4:4:4:1:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,6]O[5,5]H)(C[4]C[4]HH)(H)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,5|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4]H)(C[5,5,6]C[5,6]O[5,5]H)(C[4]C[4]HH)(H){1|C<3>,1|O<1>,2|H<1>}	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2{1|C<3>,1|C<4>,4|H<1>}	100.9180	0.000	1	100.9180	0.000	1	100.9180	0.000	1	101.6355	0.408	4	101.8196	0.656	32	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5,5]	4:2:3:1:	4:4:4:3:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4,5]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4,5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[4,5]C[4,5]C[5]H)(COO)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4,5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[4,5]C[4,5]C[5]H)(COO){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2{2|C<3>,2|C<4>,2|H<1>}	100.1540	0.000	1	100.1540	0.000	1	99.8762	0.154	2	99.8762	0.154	2	101.8196	0.656	32	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5,5]	4:2:3:1:	4:4:4:3:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[4,5,6]-4:C[5,5,6]-4:C[4,5]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	C[4,5,6](C[4,5,6]C[5,5,6]C[4,5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[4,5]C[4,5]N[5]H)(COO)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,5]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[4,5,6](C[4,5,6]C[5,5,6]C[4,5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[4,5]C[4,5]N[5]H)(COO){2|C<3>,2|C<4>,3|H<1>}	O[5,5](C[5,5,6]C[4,5,6]C[5,6]H)2{2|C<3>,2|C<4>,2|H<1>}	99.5985	0.000	1	99.5985	0.000	1	99.8762	0.154	2	99.8762	0.154	2	101.8196	0.656	32	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5,5]	4:2:3:3:	4:4:4:1:	4:4:	C[4,5,6]-4:O[5,5]-2:C[5,6]-3:C-3:	C[4,5,6]-4:C[4,5,6]-4:C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO)	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]C)(H)	O[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[4,5,6]C[5,6]H)	C[5,5,6](C[4,5,6]C[4,5,6]2H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(COO){1|C<3>,2|C<4>,3|H<1>}	C[4,5,6](C[4,5,6]C[4,5,6]C[5,5,6]H)2(C[5,5,6]C[5,6]O[5,5]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[4,5,6]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	103.0210	0.000	1	103.0210	0.000	1	103.0210	0.000	1	103.0210	0.000	1	101.8196	0.656	32	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5,5]	4:3:2:1:	4:4:3:1:	4:4:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:H-1:	C[4,5,6,6]-4:C[5,5,6]-4:C[4,6a]-3:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6,6])(H)	C[4,5,6](C[4,5,6,6]C[5,5,6,6]C[4,6a]C[6])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[4,6a]C[4,6a]C[6a])(H)	O[5,5](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]C[6])(C[5,5,6]C[5,6,6a]C[4,5,6]H)	C[5,5,6](C[4,5,6]C[4,5,6,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6,6])(H){1|H<1>,6|C<3>}	C[4,5,6](C[4,5,6,6]C[5,5,6,6]C[4,6a]C[6])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[4,6a]C[4,6a]C[6a])(H){2|H<1>,6|C<3>}	O[5,5](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]C[6])(C[5,5,6]C[5,6,6a]C[4,5,6]H){2|H<1>,6|C<3>}	103.7360	0.000	1	103.7360	0.000	1	103.7360	0.000	1	103.7360	0.000	1	101.8196	0.656	32	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5,5]	4:3:2:3:	4:4:3:1:	4:4:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[4,5,6]-4:C[4,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6]H)(C[4,6]C[4,6]C[6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C[6a])2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6]H)(C[4,6]C[4,6]C[6])(H){1|C<4>,2|H<1>,6|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C[6a])2{2|H<1>,8|C<3>}	101.7135	0.503	2	101.6818	0.072	6	101.6818	0.072	6	101.5884	0.104	10	101.8196	0.656	32	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5,5]	4:3:2:3:	4:4:3:1:	4:4:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[4,5,6]-4:C[4,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6]H)(C[4,6]C[4,6]C[6])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C[6a])2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6]H)(C[4,6]C[4,6]C[6])(H){2|C<4>,2|H<1>,5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C[6a])2{2|H<1>,8|C<3>}	101.6660	0.187	4	101.6818	0.072	6	101.6818	0.072	6	101.5884	0.104	10	101.8196	0.656	32	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5,5]	4:3:2:3:	4:4:3:1:	4:4:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[4,5,6]-4:C[4,6a]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6a]H)(C[4,6a]C[4,6a]C[6a])(H)	O[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C[6a])2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[4,5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[4,5,6]C[5,5,6]C[4,6a]H)(C[4,6a]C[4,6a]C[6a])(H){1|H<1>,7|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C[6a])2{2|H<1>,8|C<3>}	101.4483	0.386	4	101.4483	0.149	4	101.4483	0.149	4	101.5884	0.104	10	101.8196	0.656	32	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5,5]	4:4:2:1:	4:4:3:1:	4:4:	C[3x5,6,6]-4:C[4,5,6]-4:O[5,5]-2:H-1:	C[5,5,6]-4:C[4,5,6]-4:C[4]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(H)	C[4,5,6](C[5,5,6]C[3x5,6,6]O[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H)	O[5,5](C[5,5,6]C[3x5,6,6]C[4,5,6]H)2	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[4,5,6]C[4,5,6]C[4]H)(O[5,5]C[5,5,6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[4,5,6](C[5,5,6]C[3x5,6,6]O[5,5]H)(C[4,5,6]C[5,5,6]C[4]H)(C[4]C[4]C)(H){1|H<1>,2|C<3>,2|C<4>}	O[5,5](C[5,5,6]C[3x5,6,6]C[4,5,6]H)2{2|C<4>,2|H<1>,4|C<3>}	102.2204	0.435	12	102.2204	0.189	12	102.2204	0.189	12	102.2204	0.189	12	101.8196	0.656	32	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5,6]	C[4,5,6]	O[5,5]	4:4:2:4:	4:3:4:4:	4:4:	C[5,5,6]-4:C[4,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:C[5,6]-3:C[4]-4:C[4]-4:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[4,5,6]C[5,6]C[4]2)(O[5,5]C[5,5,6])(CH3)	C[4,5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(C[4]C[4]HH)2	O[5,5](C[5,5,6]C[4,5,6]C[5,5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[4,5,6]C[5,6]C[4]2)(O[5,5]C[5,5,6])(CH3){2|O<1>,3|C<4>,6|H<1>}	C[4,5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(C[4]C[4]HH)2{1|C<3>,1|C<4>,4|H<1>}	O[5,5](C[5,5,6]C[4,5,6]C[5,5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	101.6290	0.000	1	101.6290	0.000	1	101.6290	0.000	1	101.6290	0.000	1	101.8196	0.656	32	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,5]	C[4,5,5]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[4,5,5]-4:C[5]-4:O[5]-2:H-1:	C[4,5,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(H)	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]C[5]H)(C[5,5]C[5]O[5]H)(H)	O[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HH)	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,4|H<1>}	C[4,5,5](C[4,5,5]C[4,5]C[5]2)(C[4,5]C[4,5]C[5]H)(C[5,5]C[5]O[5]H)(H){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	O[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HH){1|C<3>,3|C<4>,3|H<1>}	105.5960	0.000	1	105.5960	0.000	1	105.5960	0.000	1	105.5960	0.000	1	105.5960	0.000	1	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,6,6]	C[4,5,6,6]	O[5]	4:4:2:4:	4:4:4:2:	4:4:	C[4,5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[4,5,6]-4:C[5,6,6]-4:C[4,6]-4:O-2:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[4,5,6,6]C[4,5,6]C[4,6]O)(C[6,6]C[6,6]HO)(O[5]C[5])(CH3)	C[4,5,6,6](C[4,5,6]C[4,6,6]C[5]C)(C[5,6,6]C[6,6]O[5]C)(C[4,6]C[4,6,6]HH)(OH)	O[5](C[5,6,6]C[4,5,6,6]C[6,6]C)(C[5]C[4,5,6]HH)	C[5,6,6](C[4,5,6,6]C[4,5,6]C[4,6]O)(C[6,6]C[6,6]HO)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	C[4,5,6,6](C[4,5,6]C[4,6,6]C[5]C)(C[5,6,6]C[6,6]O[5]C)(C[4,6]C[4,6,6]HH)(OH){1|C<4>,1|O<2>,4|H<1>}	O[5](C[5,6,6]C[4,5,6,6]C[6,6]C)(C[5]C[4,5,6]HH){1|H<1>,2|O<2>,4|C<4>}	104.0700	0.000	1	104.0700	0.000	1	104.0700	0.000	1	104.0700	0.000	1	104.0700	0.000	1	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,6]	C[4,5,6]	O[5]	4:2:2:2:	4:4:4:3:	4:4:	C[4,5,6]-4:O[5]-2:O[6]-2:O-2:	C[4,5]-4:C[4,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5]-4:	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC)	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5,6]O[5]O[6]O)(COO)	O[5](C[5,6]C[4,5,6]O[6]O)(C[5]C[4,5]CC)	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(O[5]C[5])(O[6]C[6])(OC){1|C<3>,3|C<4>,4|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5,6]O[5]O[6]O)(COO){1|O<1>,2|H<1>,3|C<4>}	O[5](C[5,6]C[4,5,6]O[6]O)(C[5]C[4,5]CC){1|C<3>,1|H<1>,3|C<4>}	104.5690	0.109	2	104.5690	0.012	2	104.5690	0.012	2	104.5690	0.012	2	105.2840	0.795	7	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,6]	C[4,5,6]	O[5]	4:4:2:1:	4:4:3:2:	4:3:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[4,6]-4:C[5,6]-4:C[4]-3:O[5]-2:	C[5,6]-4:S[5]-3:	C[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6]HH)(O[5]S[5])(H)	C[4,5,6](C[4,6]C[6]N[4]H)(C[5,6]C[6]O[5]H)(C[4]N[4]O)(O[5]S[5])	O[5](C[5,6]C[4,5,6]C[6]H)(S[5]O[5]O)	C[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6]HH)(O[5]S[5])(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[4,5,6](C[4,6]C[6]N[4]H)(C[5,6]C[6]O[5]H)(C[4]N[4]O)(O[5]S[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[5](C[5,6]C[4,5,6]C[6]H)(S[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	104.5750	0.143	2	104.5750	0.020	2	104.5750	0.020	2	104.5750	0.020	2	105.2840	0.795	7	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,6]	C[4,5,6]	O[5]	4:4:2:1:	4:4:3:3:	4:4:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[4,5]-4:C[5,6]-4:C[6]-3:N[4]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[4,5,6]C[4,5]C[6]N[4])(C[6]C[6]HH)(O[5]C[5])(H)	C[4,5,6](C[4,5]C[4]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]H)(N[4]C[4]C)	O[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[4,5]C[6a]H)	C[5,6](C[4,5,6]C[4,5]C[6]N[4])(C[6]C[6]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]H)(N[4]C[4]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[4,5]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	106.2900	0.000	1	106.2900	0.000	1	106.2900	0.000	1	106.2900	0.000	1	105.2840	0.795	7	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5,6]	C[4,5,6]	O[5]	4:4:2:1:	4:4:4:3:	4:4:	C[4,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[4,6]-4:C[5,6]-4:C[4]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H)	C[4,5,6](C[5,6]C[4,6]C[5,6]H)(C[4,6]C[5,6]C[4]C)(C[5,6]C[6]O[5]H)(C[4]C[4]O)	O[5](C[5,6]C[4,5,6]C[6]H)(C[5,6]C[5,6]2H)	C[5,6](C[4,5,6]C[4,6]C[5,6]C[4])(C[6]C[5,6]HO)(O[5]C[5,6])(H){1|O<1>,3|H<1>,6|C<4>}	C[4,5,6](C[5,6]C[4,6]C[5,6]H)(C[4,6]C[5,6]C[4]C)(C[5,6]C[6]O[5]H)(C[4]C[4]O){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	O[5](C[5,6]C[4,5,6]C[6]H)(C[5,6]C[5,6]2H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	106.2050	0.057	2	106.2050	0.003	2	106.2050	0.003	2	106.2050	0.003	2	105.2840	0.795	7	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,4,5]	O[5]	4:2:1:1:	4:4:4:4:	4:4:	C[4,4,5]-4:O[5]-2:H-1:H-1:	C[3,4]-4:C[4,4]-4:C[4,5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,4,5]C[3,4]C[4,4]C[4,5])(O[5]C[5])(H)2	C[4,4,5](C[3,4]C[3,4]O[3]H)(C[4,4]C[3,4]C[4]H)(C[4,5]C[4]C[5]H)(C[5]O[5]HH)	O[5](C[5]C[4,4,5]HH)(C[5]C[4,5]HH)	C[5](C[4,4,5]C[3,4]C[4,4]C[4,5])(O[5]C[5])(H)2{1|O<2>,2|C<4>,5|H<1>}	C[4,4,5](C[3,4]C[3,4]O[3]H)(C[4,4]C[3,4]C[4]H)(C[4,5]C[4]C[5]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	O[5](C[5]C[4,4,5]HH)(C[5]C[4,5]HH){1|H<1>,3|C<4>}	103.6810	0.000	1	103.6810	0.000	1	103.6810	0.000	1	103.6810	0.000	1	103.6810	0.000	1	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5,5]	O[5]	4:2:1:1:	4:4:4:2:	4:4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2	C[4,5,5](C[4,5,6]C[4,6,6]C[5]N[6])(C[4,5,6]C[4,6,6]C[5,6]C)(C[5]O[5]HH)(O[5]C[5,6])	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH)	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2{1|N<3>,2|H<1>,4|C<4>}	C[4,5,5](C[4,5,6]C[4,6,6]C[5]N[6])(C[4,5,6]C[4,6,6]C[5,6]C)(C[5]O[5]HH)(O[5]C[5,6]){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH){1|N<3>,1|O<2>,2|C<4>}	103.9470	0.000	1	104.8370	1.584	2	104.8370	1.584	2	104.8370	1.584	2	105.6028	1.756	6	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5,5]	O[5]	4:2:1:1:	4:4:4:2:	4:4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[4,5,6]-4:C[4,5,6]-4:C[5]-4:O[5]-2:	C[5]-4:C[5]-4:	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2	C[4,5,5](C[4,5,6]C[4,6,6]C[5]N[6])(C[4,5,6]C[4,6,6]C[5,6]C)(C[5]O[5]HH)(O[5]C[5,6])	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH)	C[5](C[4,5,5]C[4,5,6]2O[5])(O[5]C[5])(H)2{1|N<3>,2|H<1>,4|C<4>}	C[4,5,5](C[4,5,6]C[4,6,6]C[5]N[6])(C[4,5,6]C[4,6,6]C[5,6]C)(C[5]O[5]HH)(O[5]C[5,6]){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH){1|N<3>,1|O<2>,2|C<4>}	105.7270	0.000	1	104.8370	1.584	2	104.8370	1.584	2	104.8370	1.584	2	105.6028	1.756	6	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5,5]	O[5]	4:2:1:1:	4:4:4:3:	4:4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[4,5,5]-4:C[4,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(O[5]C[5,5])(H)2	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]O[5]HH)(C[5]O[5]O)	O[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HH)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(O[5]C[5,5])(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[4,5,5](C[4,5,5]C[4,5]C[5,5]H)(C[4,5]C[4,5]C[5]H)(C[5]O[5]HH)(C[5]O[5]O){1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,5]C[4,5,5]C[5]H)(C[5]C[4,5,5]HH){1|C<3>,3|C<4>,3|H<1>}	106.3840	0.000	1	106.3840	0.000	1	106.3840	0.000	1	107.0140	0.794	2	105.6028	1.756	6	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5,5]	O[5]	4:2:1:1:	4:4:4:3:	4:4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[5,5]-4:C[5]-4:C[4]-3:	C[5]-4:C[5]-4:	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(O[5]C[5])(H)2	C[4,5,5](C[4,5]C[6a]C[4]S[5])(C[5,5]C[5]2H)(C[5]O[5]HH)(C[4]C[4]H)	O[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH)	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(O[5]C[5])(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[6a]C[4]S[5])(C[5,5]C[5]2H)(C[5]O[5]HH)(C[4]C[4]H){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[4,5,5]HH)(C[5]C[5,5]HH){1|C<3>,1|H<1>,2|C<4>}	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.0140	0.794	2	105.6028	1.756	6	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5,5]	O[5]	4:2:1:1:	4:4:4:4:	4:4:	C[4,5,5]-4:O[5]-2:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(O[5]C[5])(H)2	C[4,5,5](C[4,5,5]C[4]C[5]2)(C[4]C[4]HH)(C[5]N[5]HH)(C[5]O[5]HH)	O[5](C[5]C[4,5,5]HH)2	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(O[5]C[5])(H)2{1|N<4>,2|C<4>,6|H<1>}	C[4,5,5](C[4,5,5]C[4]C[5]2)(C[4]C[4]HH)(C[5]N[5]HH)(C[5]O[5]HH){8|H<1>}	O[5](C[5]C[4,5,5]HH)2{4|C<4>}	104.9575	0.641	2	104.9575	0.411	2	104.9575	0.411	2	104.9575	0.411	2	105.6028	1.756	6	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5,6]	O[5]	4:2:1:1:	4:4:4:3:	4:4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(O[5]C[5])(H)2	C[4,5,6](C[4,5,6]C[4,6]C[5]N[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]HH)(C[6]N[6]O)	O[5](C[5]C[4,5,6]CH)(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,5,6]C[4,6]C[6])(O[5]C[5])(H)2{1|O<1>,2|H<1>,2|N<3>,3|C<4>}	C[4,5,6](C[4,5,6]C[4,6]C[5]N[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]HH)(C[6]N[6]O){1|C<3>,3|C<4>,6|H<1>}	O[5](C[5]C[4,5,6]CH)(C[5]C[4,5,6]HH){1|C<3>,1|N<3>,2|C<4>}	104.5340	0.000	1	104.5340	0.000	1	104.5340	0.000	1	105.5452	2.658	4	106.3481	2.507	10	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5,6]	O[5]	4:2:1:1:	4:4:4:3:	4:4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[4,6]-4:C[5]-4:C[6]-3:	C[5]-4:C[5]-4:	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(O[5]C[5])(H)2	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]O[5]HH)(C[6]N[6]O)	O[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)	C[5](C[4,5,6]C[4,5]C[4,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]O[5]HH)(C[6]N[6]O){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH){1|C<3>,1|H<1>,2|C<4>}	104.4820	0.000	1	104.4820	0.000	1	104.4820	0.000	1	105.5452	2.658	4	106.3481	2.507	10	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5,6]	O[5]	4:2:1:1:	4:4:4:3:	4:4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,6,6]-4:C[4,5,5]-4:C[5]-4:N[6]-3:	C[5]-4:C[5]-4:	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C)	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C){1|Br<1>,1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH){1|N<3>,1|O<2>,2|C<4>}	107.9370	0.000	1	106.5825	3.669	2	106.5825	3.669	2	105.5452	2.658	4	106.3481	2.507	10	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5,6]	O[5]	4:2:1:1:	4:4:4:3:	4:4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,6,6]-4:C[4,5,5]-4:C[5]-4:N[6]-3:	C[5]-4:C[5]-4:	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C)	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,5,5]C[4,6,6]N[6])(O[5]C[5])(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[4,5,6](C[4,6,6]C[4,5,6]C[5,6,6]H)(C[4,5,5]C[4,5,6]C[5]O[5])(C[5]O[5]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O[5](C[5]C[4,5,5]HH)(C[5]C[4,5,6]HH){1|N<3>,1|O<2>,2|C<4>}	105.2280	0.000	1	106.5825	3.669	2	106.5825	3.669	2	105.5452	2.658	4	106.3481	2.507	10	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5,6]	O[5]	4:2:1:1:	4:4:4:4:	4:4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,5,6,6]-4:C[4,6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[5]-4:	C[5](C[4,5,6]C[4,5,6,6]C[4,6,6]C)(O[5]C[5,6,6])(H)2	C[4,5,6](C[4,5,6,6]C[5,6,6]C[4,6]O)(C[4,6,6]C[4,6]C[6,6]H)(C[5]O[5]HH)(CH3)	O[5](C[5,6,6]C[4,5,6,6]C[6,6]C)(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,5,6,6]C[4,6,6]C)(O[5]C[5,6,6])(H)2{1|H<1>,1|O<2>,4|C<4>}	C[4,5,6](C[4,5,6,6]C[5,6,6]C[4,6]O)(C[4,6,6]C[4,6]C[6,6]H)(C[5]O[5]HH)(CH3){2|C<4>,4|H<1>}	O[5](C[5,6,6]C[4,5,6,6]C[6,6]C)(C[5]C[4,5,6]HH){1|H<1>,2|O<2>,4|C<4>}	105.7310	0.000	1	105.7310	0.000	1	105.7310	0.000	1	107.3358	1.036	5	106.3481	2.507	10	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5,6]	O[5]	4:2:1:1:	4:4:4:4:	4:4:	C[4,5,6]-4:O[5]-2:H-1:H-1:	C[4,6,6]-4:C[4,6,6]-4:C[5]-4:C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[4,5,6]C[4,6,6]2C[5])(O[5]C[5,5])(H)2	C[4,5,6](C[4,6,6]C[4,6]C[6,6]H)2(C[5]C[5,5]HH)(C[5]O[5]HH)	O[5](C[5,5]C[5]2N[5])(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,6,6]2C[5])(O[5]C[5,5])(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[4,5,6](C[4,6,6]C[4,6]C[6,6]H)2(C[5]C[5,5]HH)(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5]2N[5])(C[5]C[4,5,6]HH){1|C<3>,3|C<4>,5|H<1>}	107.7370	0.556	4	107.7370	0.309	4	107.7370	0.309	4	107.3358	1.036	5	106.3481	2.507	10	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5,6]	O[5]	4:2:4:1:	4:4:4:3:	4:4:	C[4,5,6]-4:O[5]-2:C-4:H-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:N[6]-3:	C[5]-4:C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H)	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]CH)(N[6]C[6]H)	O[5](C[5]C[4,5,6]CH)(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C[4,5,6](C[4,5,6]C[4,6]C[5]C[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]CH)(N[6]C[6]H){1|N<3>,2|C<4>,2|O<1>,5|H<1>}	O[5](C[5]C[4,5,6]CH)(C[5]C[4,5,6]HH){1|C<3>,1|N<3>,2|C<4>}	104.6210	0.000	1	104.6210	0.000	1	104.6210	0.000	1	104.6210	0.000	1	106.3481	2.507	10	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	3:4:2:1:	4:4:3:1:	4:4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]H)(H)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]H)(H){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){2|H<1>,4|C<3>}	107.2380	0.000	1	107.2380	0.000	1	107.2380	0.000	1	107.2380	0.000	1	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	3:4:2:1:	4:4:4:1:	4:4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-4:F-1:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]HH)(F)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]F)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]HH)(F){1|C<4>,2|C<3>,3|H<1>}	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	107.9130	0.000	1	107.9130	0.000	1	107.9130	0.000	1	108.1185	0.084	2	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	3:4:2:1:	4:4:4:1:	4:4:	N[5a]-3:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:C[5]-4:	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]HH)(H)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](N[5a]C[5a,6a]C[5a])(C[4,5]C[4,5]C[4]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|N<2>,5|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]N[5a]O[5]H)(C[4]C[4]HH)(H){1|C<4>,2|C<3>,3|H<1>}	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){2|C<3>,2|C<4>,2|H<1>}	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	108.1185	0.084	2	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:2:1:1:	4:4:4:1:	4:4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[4,4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,4,5]C[4]H)(O[5]C[5])(H)2	C[4,5](C[4,4,5]C[3,4]C[4,4]C[5])(C[4]C[4,4]CH)(C[5]O[5]HH)(H)	O[5](C[5]C[4,4,5]HH)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,4,5]C[4]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,4,5]C[3,4]C[4,4]C[5])(C[4]C[4,4]CH)(C[5]O[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	O[5](C[5]C[4,4,5]HH)(C[5]C[4,5]HH){1|H<1>,3|C<4>}	106.4710	0.000	1	106.4710	0.000	1	106.4710	0.000	1	105.7233	1.169	4	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:2:1:1:	4:4:4:1:	4:4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[4,5,6]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5])(H)2	C[4,5](C[4,5,6]C[4,6]C[5]C[6])(C[4]C[4,6]CC)(C[5]O[5]HH)(H)	O[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5])(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[4,5](C[4,5,6]C[4,6]C[5]C[6])(C[4]C[4,6]CC)(C[5]O[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	O[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH){1|C<3>,1|H<1>,2|C<4>}	105.5060	0.000	1	105.5060	0.000	1	105.5060	0.000	1	105.7233	1.169	4	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:2:1:1:	4:4:4:1:	4:4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	C[4,5](C[4,5]C[4]C[5]C)(C[4]C[4]HH)(C[5]O[5]HH)(H)	O[5](C[5]C[4,5]C[6]H)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]C)(C[4]C[4]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|N<2>}	O[5](C[5]C[4,5]C[6]H)(C[5]C[4,5]HH){1|C<3>,2|H<1>,4|C<4>}	104.2830	0.000	1	104.2830	0.000	1	105.4580	2.761	2	105.7233	1.169	4	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:2:1:1:	4:4:4:1:	4:4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]O[5]HH)(H)	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(H)2{1|C<3>,2|C<4>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CH)(C[5]O[5]HH)(H){1|C<3>,1|N<3>,2|H<1>}	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH){2|C<3>,2|C<4>,2|H<1>}	106.6330	0.000	1	106.6330	0.000	1	105.4580	2.761	2	105.7233	1.169	4	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:2:1:1:	4:4:4:3:	4:4:	C[4,5]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[4]-4:C[5]-4:C[4]-3:	C[5]-4:C[5]-4:	C[5](C[4,5]C[5,6]C[4]2)(O[5]C[5])(H)2	C[4,5](C[5,6]C[5]C[6]2)(C[4]C[4]CC)(C[5]O[5]HH)(C[4]C[4]C)	O[5](C[5]C[4,5]HH)(C[5]C[5,6]HH)	C[5](C[4,5]C[5,6]C[4]2)(O[5]C[5])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[4,5](C[5,6]C[5]C[6]2)(C[4]C[4]CC)(C[5]O[5]HH)(C[4]C[4]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O[5](C[5]C[4,5]HH)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	105.4460	0.000	1	105.4460	0.000	1	105.4460	0.000	1	105.4460	0.000	1	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[5]-4:C[4]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(H)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|N<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(C[4]C[4]H)(H){1|N<3>,2|H<1>}	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){2|H<1>,4|C<3>}	105.8460	0.000	1	105.8460	0.000	1	105.8460	0.000	1	105.8460	0.000	1	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:2:4:1:	4:4:3:3:	4:4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[5]-4:N[4]-3:C-3:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(N[4]C[4]S)(COO)	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]O[5]CH)(N[4]C[4]S)(COO){1|C<3>,3|H<1>}	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]CH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	104.1780	0.000	1	104.1780	0.000	1	104.1780	0.000	1	104.1780	0.000	1	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]F)(C[4]C[4]HH)(C[5]O[5]CH)(H)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|N<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]F)(C[4]C[4]HH)(C[5]O[5]CH)(H){1|N<3>,3|H<1>}	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	104.6970	0.000	1	104.6970	0.000	1	104.8485	0.046	2	104.8485	0.046	2	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[4,5]-4:C[4]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]CH)(H)	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(C[5]O[5]CH)(H){1|N<3>,3|H<1>}	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){2|C<3>,2|C<4>,2|H<1>}	105.0000	0.000	1	105.0000	0.000	1	104.8485	0.046	2	104.8485	0.046	2	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:2:4:4:	4:4:4:1:	4:4:	C[4,5]-4:O[5]-2:C-4:C-4:	C[4,5,6]-4:C[4]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5,6])(CH3)2	C[4,5](C[4,5,6]C[4,6]C[5,6]C)(C[4]C[4,6]HH)(C[5]O[5]CC)(H)	O[5](C[5,6]C[4,5,6]O[6]O)(C[5]C[4,5]CC)	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[4,5](C[4,5,6]C[4,6]C[5,6]C)(C[4]C[4,6]HH)(C[5]O[5]CC)(H){1|C<3>,1|H<1>,2|O<2>}	O[5](C[5,6]C[4,5,6]O[6]O)(C[5]C[4,5]CC){1|C<3>,1|H<1>,3|C<4>}	104.5030	0.382	2	104.5030	0.146	2	104.5030	0.146	2	104.5030	0.146	2	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:3:2:1:	4:4:3:1:	4:4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5,6]-4:C[5]-4:C[4]-3:H-1:	C[5,6]-4:C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[4,5](C[4,5,6]C[5,6]C[6]N[4])(C[5]C[6a]O[5]H)(C[4]N[4]O)(H)	O[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[4,5]C[6a]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[4,5](C[4,5,6]C[5,6]C[6]N[4])(C[5]C[6a]O[5]H)(C[4]N[4]O)(H){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[4,5]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	106.1980	0.000	1	106.1980	0.000	1	106.1980	0.000	1	106.1980	0.000	1	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:3:2:1:	4:4:4:1:	4:4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[6a]O[5]H)(C[4]C[4]HN)(H)	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[6a]O[5]H)(C[4]C[4]HN)(H){1|C<4>,2|C<3>,3|H<1>}	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH){2|C<3>,2|C<4>,2|H<1>}	102.9540	0.000	1	102.9540	0.000	1	103.4675	0.527	2	103.4675	0.527	2	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:3:2:1:	4:4:4:1:	4:4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-4:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[4,5](C[4,5]C[5]N[4]C)(C[5]C[6a]O[5]H)(C[4]N[4]HH)(H)	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[4,5](C[4,5]C[5]N[4]C)(C[5]C[6a]O[5]H)(C[4]N[4]HH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]CH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	103.9810	0.000	1	103.9810	0.000	1	103.4675	0.527	2	103.4675	0.527	2	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:3:2:3:	4:4:4:3:	4:4:	C[4,5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[4]-4:C[5]-4:C[4]-3:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[4,5](C[5]C[6a]O[5]C)(C[4]N[4]HH)(C[5]C[5]HH)(C[4]N[4]O)	O[5](C[5]C[4,5]C[6a]C)(C[5]C[6a]C[5]C)	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[4,5](C[5]C[6a]O[5]C)(C[4]N[4]HH)(C[5]C[5]HH)(C[4]N[4]O){5|C<3>}	O[5](C[5]C[4,5]C[6a]C)(C[5]C[6a]C[5]C){1|C<4>,2|H<1>,5|C<3>}	103.6755	0.207	2	103.6755	0.043	2	103.6755	0.043	2	103.6755	0.043	2	105.3351	2.152	20	103.9675	4.492	85
474	478	976	5:SP3_SP3_SP3	C[5]	C[4,5]	O[5]	4:4:2:1:	4:4:3:4:	4:4:	C[4,5]-4:C[6]-4:O[5]-2:H-1:	C[4,5]-4:C[5]-4:C[4]-3:C-4:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]C)(C[6]C[6]2H)(O[5]C[5])(H)	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[6]O[5]H)(C[4]C[4]N)(CCHH)	O[5](C[5]C[4,5]C[6]H)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,5]C[4]C)(C[6]C[6]2H)(O[5]C[5])(H){1|N<2>,3|C<4>,7|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[5]C[6]O[5]H)(C[4]C[4]N)(CCHH){2|C<4>,5|H<1>}	O[5](C[5]C[4,5]C[6]H)(C[5]C[4,5]HH){1|C<3>,2|H<1>,4|C<4>}	105.6780	0.000	1	105.6780	0.000	1	105.6780	0.000	1	105.6780	0.000	1	105.3351	2.152	20	103.9675	4.492	85
474	478	976	6:SP3_SP3_SP3	C[5,6,6]	C[4,6,6]	O[5,6,6]	4:2:2:1:	4:4:2:1:	4:4:	C[4,6,6]-4:O[5,6,6]-2:O[5]-2:H-1:	C[5,6,6]-4:C[4,6]-4:O[4,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(O[5]C[5])(H)	C[4,6,6](C[5,6,6]O[5,6,6]O[5]H)(C[4,6]C[4,6,6]FH)(O[4,6]C[4,6,6])(H)	O[5,6,6](C[5,6,6]C[4,6,6]C[5]H)(C[5,6,6]C[4,6,6]O[5]H)	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(O[5]C[5])(H){1|C<4>,1|F<1>,4|H<1>}	C[4,6,6](C[5,6,6]O[5,6,6]O[5]H)(C[4,6]C[4,6,6]FH)(O[4,6]C[4,6,6])(H){1|H<1>,2|C<4>}	O[5,6,6](C[5,6,6]C[4,6,6]C[5]H)(C[5,6,6]C[4,6,6]O[5]H){1|C<4>,1|O<2>,4|H<1>}	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	107.7105	0.183	2	107.7105	0.183	2
474	478	976	6:SP3_SP3_SP3	C[5,6,6]	C[4,6,6]	O[5,6,6]	4:2:4:1:	4:4:2:1:	4:4:	C[4,6,6]-4:O[5,6,6]-2:C[5]-4:H-1:	C[5,6,6]-4:C[4,6]-4:O[4,6]-2:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(C[5]O[5]HH)(H)	C[4,6,6](C[5,6,6]O[5,6,6]C[5]H)(C[4,6]C[4,6,6]FH)(O[4,6]C[4,6,6])(H)	O[5,6,6](C[5,6,6]C[4,6,6]C[5]H)(C[5,6,6]C[4,6,6]O[5]H)	C[5,6,6](C[4,6,6]C[4,6]O[4,6]H)(O[5,6,6]C[5,6,6])(C[5]O[5]HH)(H){1|C<4>,1|F<1>,2|H<1>}	C[4,6,6](C[5,6,6]O[5,6,6]C[5]H)(C[4,6]C[4,6,6]FH)(O[4,6]C[4,6,6])(H){1|C<4>,1|O<2>,3|H<1>}	O[5,6,6](C[5,6,6]C[4,6,6]C[5]H)(C[5,6,6]C[4,6,6]O[5]H){1|C<4>,1|O<2>,4|H<1>}	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	107.7105	0.183	2	107.7105	0.183	2
474	478	983	0:SP3_SP1_SP3	C[5]	C[4,5,5]	C	4:3:2:2:	4:4:4:3:	4:1:	C[4,5,5]-4:C[5]-3:C-2:C-2:	C[5,5]-4:C[4,5]-4:C[5]-4:C[4]-3:	C[5]-4:N-1:	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(C[5]C[6a]C[5])(CN)2	C[4,5,5](C[5,5]C[6a]C[5]2)(C[4,5]C[4]C[5]C)(C[5]C[5]CC)(C[4]C[4]H)	C(C[5]C[4,5,5]C[5]C)(N)	C[5](C[4,5,5]C[4,5]C[5,5]C[4])(C[5]C[6a]C[5])(CN)2{1|C<2>,2|H<1>,6|C<3>}	C[4,5,5](C[5,5]C[6a]C[5]2)(C[4,5]C[4]C[5]C)(C[5]C[5]CC)(C[4]C[4]H){1|C<2>,1|H<1>,5|C<3>}	C(C[5]C[4,5,5]C[5]C)(N)	111.2980	3.695	2	111.2980	13.656	2	111.2980	13.656	2	111.2980	13.656	2	111.2980	13.656	2	112.8593	8.218	4
474	478	983	0:SP3_SP1_SP3	C[5]	C[4,5]	C	4:4:2:1:	4:4:4:4:	4:1:	C[4,5]-4:C[5]-4:C-2:H-1:	C[4]-4:C[4]-4:C[5]-4:C[5]-4:	C[5]-4:N-1:	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]N[5]H)(CN)(H)	C[4,5](C[4]N[4]HH)2(C[5]C[5]CH)(C[5]N[5]CH)	C(C[5]C[4,5]C[5]H)(N)	C[5](C[4,5]C[4]2C[5])(C[5]C[6a]N[5]H)(CN)(H){1|N<3>,3|C<3>,6|H<1>}	C[4,5](C[4]N[4]HH)2(C[5]C[5]CH)(C[5]N[5]CH){2|C<3>,2|H<1>}	C(C[5]C[4,5]C[5]H)(N)	114.4205	1.118	2	114.4205	1.250	2	114.4205	1.250	2	114.4205	1.250	2	114.4205	1.250	2	112.8593	8.218	4
474	478	999	5:SP3_SP3_SP3	C[5,5]	C[4,5,5]	N[5,5]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[4,5,5]-4:N[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2{1|C<2>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(H){1|C<2>,2|H<1>}	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	98.5872	0.000	1	98.4424	0.098	6	98.4424	0.098	6	98.4424	0.098	6	98.4424	0.098	6	99.8972	7.404	8
474	478	999	5:SP3_SP3_SP3	C[5,5]	C[4,5,5]	N[5,5]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[4,5,5]-4:N[5,5]-4:H-1:H-1:	C[4,5]-4:C[4,5]-4:C[5,5]-4:H-1:	C[4,5,5]-4:C[5,5]-4:H-1:H-1:	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(H)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]HH)(H)2{1|C<4>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(C[5,5]N[5,5]HH)(H){1|C<4>,2|H<1>}	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(H)2{5|H<1>}	98.4134	0.341	5	98.4424	0.098	6	98.4424	0.098	6	98.4424	0.098	6	98.4424	0.098	6	99.8972	7.404	8
474	478	999	5:SP3_SP3_SP3	C[5]	C[4,5,5]	N[5]	4:4:1:1:	4:4:4:4:	4:4:1:1:	C[4,5,5]-4:N[5]-4:H-1:H-1:	C[4,5,5]-4:C[4]-4:C[5]-4:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(N[5]C[5]HH)(H)2	C[4,5,5](C[4,5,5]C[4]C[5]2)(C[4]C[4]HH)(C[5]N[5]HH)(C[5]O[5]HH)	N[5](C[5]C[4,5,5]HH)2(H)2	C[5](C[4,5,5]C[4,5,5]C[4]C[5])(N[5]C[5]HH)(H)2{1|O<2>,2|C<4>,6|H<1>}	C[4,5,5](C[4,5,5]C[4]C[5]2)(C[4]C[4]HH)(C[5]N[5]HH)(C[5]O[5]HH){8|H<1>}	N[5](C[5]C[4,5,5]HH)2(H)2{4|C<4>}	104.2615	0.738	2	104.2615	0.544	2	104.2615	0.544	2	104.2615	0.544	2	104.2615	0.544	2	99.8972	7.404	8
474	486	486	0:SP3_SP3_SP3	C[5,6,6]	C[3,6]	C[3,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:C[5,6,6]-4:O[5]-2:	C[5,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6,6](C[3,6]C[3,6]O[3]H)2(C[5,6,6]C[6]2O[5])(O[5]C[5])	C[3,6](C[5,6,6]C[5,6,6]C[3,6]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[5,6,6]C[5,6,6]C[3,6]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[5,6,6](C[3,6]C[3,6]O[3]H)2(C[5,6,6]C[6]2O[5])(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C[3,6](C[5,6,6]C[5,6,6]C[3,6]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[3,6](C[5,6,6]C[5,6,6]C[3,6]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	109.1200	0.000	1	109.1200	0.000	1	109.1200	0.000	1	109.1200	0.000	1	109.1200	0.000	1	109.8682	4.153	5
474	486	486	0:SP3_SP3_SP3	C[5,6]	C[3,6]	C[3,5]	4:4:3:4:	4:4:2:3:	4:4:2:4:	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:C[3,5]-4:O[3]-2:C-4:	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[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[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[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>}	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	109.8682	4.153	5
474	486	486	0:SP3_SP3_SP3	C[5]	C[3]	C[3]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[3]-4:C[3]-4:O[5]-2:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6])	C[3](C[5]C[5,6]C[3]O[5])(C[3]C[3]HH)2(H)	C[3](C[5]C[5,6]C[3]O[5])(C[3]C[3]HH)2(H)	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6]){12|H<1>,1|C<3>,2|C<4>}	C[3](C[5]C[5,6]C[3]O[5])(C[3]C[3]HH)2(H){1|C<3>,1|H<1>,5|C<4>}	C[3](C[5]C[5,6]C[3]O[5])(C[3]C[3]HH)2(H){1|C<3>,1|H<1>,5|C<4>}	111.1460	0.000	1	109.8270	7.643	3	109.8270	7.643	3	109.8270	7.643	3	109.8270	7.643	3	109.8682	4.153	5
474	486	486	0:SP3_SP3_SP3	C[5]	C[3]	C[3]	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[5,6]-4:C[3]-4:C[3]-4:O[5]-2:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6])	C[3](C[5]C[5,6]C[3]O[5])(C[3]C[3]HH)2(H)	C[3](C[5]C[5,6]C[3]O[5])(C[3]C[3]HH)2(H)	C[5](C[5,6]C[5,6]C[6]C)(C[3]C[3]2H)2(O[5]C[5,6]){12|H<1>,3|C<4>}	C[3](C[5]C[5,6]C[3]O[5])(C[3]C[3]HH)2(H){1|C<3>,1|H<1>,5|C<4>}	C[3](C[5]C[5,6]C[3]O[5])(C[3]C[3]HH)2(H){1|C<3>,1|H<1>,5|C<4>}	109.1675	3.560	2	109.8270	7.643	3	109.8270	7.643	3	109.8270	7.643	3	109.8270	7.643	3	109.8682	4.153	5
474	486	486	5:SP3_SP3_SP3	C[3x5,6]	C[3,5,5,6]	C[3,5,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	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[3,3x5,6]-4:C[3,5,5,6]-4:C[3x5,6]-4:H-1:	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)	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)	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>}	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>}	105.3400	0.132	2	105.3400	0.017	2	105.3400	0.017	2	105.1561	0.221	10	105.1561	0.221	10	105.0268	3.508	15
474	486	486	5:SP3_SP3_SP3	C[3x5,6]	C[3,5,5,6]	C[3,5,5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	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[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	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)	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)	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>}	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>}	105.1101	0.519	8	105.1101	0.270	8	105.1101	0.270	8	105.1561	0.221	10	105.1561	0.221	10	105.0268	3.508	15
474	486	486	5:SP3_SP3_SP3	C[5,5]	C[3,5,5]	C[3,5,5]	4:4:1:1:	4:4:4:1:	4:4:4:1:	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[3,4,5]-4:C[3,4,5]-4:C[5,5]-4:H-1:	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)	C[3,5,5](C[3,4,5]C[3,4,5]2H)2(C[5,5]C[3,5,5]HH)(H)	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>}	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>}	98.7645	0.000	1	98.7645	0.000	1	98.7645	0.000	1	98.7645	0.000	1	98.7645	0.000	1	105.0268	3.508	15
474	486	486	5:SP3_SP3_SP3	C[5]	C[3,5,6]	C[3,5]	4:4:1:1:	4:4:4:4:	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[3,5]-4:C[5]-4:C[3]-4:C-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)	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)	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>}	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>}	106.8225	0.581	2	106.8225	0.337	2	106.8225	0.337	2	106.8225	0.337	2	106.8225	0.337	2	105.0268	3.508	15
474	486	486	5:SP3_SP3_SP3	C[5]	C[3,5]	C[3,5]	4:4:1:1:	4:4:2:4:	4:4:2:1:	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[3,5]-4:C[5]-4:O[3]-2:H-1:	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)	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(H)	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>}	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>}	105.7380	0.000	1	105.7380	0.000	1	105.7380	0.000	1	105.7380	0.000	1	105.7155	0.001	2	105.0268	3.508	15
474	486	486	5:SP3_SP3_SP3	C[5]	C[3,5]	C[3,5]	4:4:1:1:	4:4:4:3:	4:4:4:1:	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[3,5]-4:C[3]-4:C[5]-4:H-1:	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)	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)	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>}	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>}	105.6930	0.000	1	105.6930	0.000	1	105.6930	0.000	1	105.6930	0.000	1	105.7155	0.001	2	105.0268	3.508	15
474	486	486	6:SP3_SP3_SP3	C[5,6,6]	C[3,5,6,6]	C[3,5,6,6]	4:4:3:2:	4:4:3:2:	4:3:4:2:	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[5,6,6a]-3:C[3,3x6]-4:O[3]-2:	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[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[5,6,6](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[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>}	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	113.7065	7.663	4
474	486	486	6:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C[3,6]	4:4:4:1:	4:4:4:2:	4:4:2:1:	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[3,6]-4:O[3]-2:H-1:	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])	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)	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>}	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>}	116.2450	0.000	1	116.2450	0.000	1	116.2450	0.000	1	116.2450	0.000	1	116.2450	0.000	1	113.7065	7.663	4
474	486	486	6:SP3_SP3_SP3	C[5,6]	C[3,6,6]	C[3,6]	4:4:4:2:	4:4:4:2:	4:4:2:4:	C[3,6,6]-4:C[3,6]-4:C[5]-4:O[5]-2:	C[3,6,6]-4:C[5,6]-4:C[3,6]-4:O[3]-2:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[5,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[5]O[5]HH)(O[5]S[5])	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[3,6](C[5,6]C[3,6,6]C[5]O[5])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH)	C[5,6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(C[5]O[5]HH)(O[5]S[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|S<3>,2|O<2>,5|C<4>,5|H<1>}	C[3,6](C[5,6]C[3,6,6]C[5]O[5])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH){1|S<3>,2|C<4>,3|H<1>,3|O<2>}	114.7020	0.000	1	114.7020	0.000	1	114.7020	0.000	1	114.7020	0.000	1	114.7020	0.000	1	113.7065	7.663	4
474	486	486	6:SP3_SP3_SP3	C[5,6]	C[3,6]	C[3,6]	4:4:4:2:	4:4:2:1:	4:4:2:1:	C[3,6]-4:C[3,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6](C[3,6]C[3,6]O[3]H)2(C[5]C[5]HH)(O[5]C[5])	C[3,6](C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[3,6](C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C[5,6](C[3,6]C[3,6]O[3]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[3,6](C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3,6](C[5,6]C[3,6]C[5]O[5])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	114.0970	0.000	1	114.0970	0.000	1	114.0970	0.000	1	114.0970	0.000	1	114.0970	0.000	1	113.7065	7.663	4
474	486	490	0:SP3_SP3_SP3	C[3x5,6]	C[3,5,5,6]	C	4:4:3:4:	4:4:4:4:	4:1:1:1:	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:H-1:H-1:H-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)(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(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(H)3	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(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(H)3	115.4030	0.000	1	115.4030	0.000	1	115.4030	0.000	1	115.4030	0.000	1	115.2545	0.044	2	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[3x5,6]	C[3,5,5,6]	C	4:4:3:4:	4:4:4:4:	4:3:1:1:	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:C-3:H-1:H-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(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(CClC)(H)2	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(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(CClC)(H)2	115.1060	0.000	1	115.1060	0.000	1	115.1060	0.000	1	115.1060	0.000	1	115.2545	0.044	2	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[3x5]	C[3,5,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[3,5]-4:C[3,5]-4:C[3x5]-4:H-1:	C[3x5]-4:H-1:H-1:H-1:	C[3x5](C[3,5,5]C[3,5]2H)(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(CH3)	C[3,5,5](C[3,5]C[3,5]C[5]H)2(C[3x5]C[5,5]2C)(H)	C(C[3x5]C[3,5,5]C[5,5]2)(H)3	C[3x5](C[3,5,5]C[3,5]2H)(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(CH3){1|C<4>,2|O<1>,3|H<1>}	C[3,5,5](C[3,5]C[3,5]C[5]H)2(C[3x5]C[5,5]2C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[3x5]C[3,5,5]C[5,5]2)(H)3	114.5530	0.639	2	114.5530	0.409	2	114.5530	0.409	2	114.5530	0.409	2	114.5530	0.409	2	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5,6,6]	C[3,5,6,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(H)3	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(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(H)3	114.5840	0.000	1	114.5840	0.000	1	114.5840	0.000	1	114.5840	0.000	1	114.6695	0.015	2	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5,6,6]	C[3,5,6,6]	C	4:4:3:4:	4:4:4:3:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(H)3	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(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(H)3	114.7550	0.000	1	114.7550	0.000	1	114.7550	0.000	1	114.7550	0.000	1	114.6695	0.015	2	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5,6]	C[3,5,5]	C	4:4:4:4:	4:4:2:3:	4:1:1:1:	C[3,5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,5,6]-4:C[3,5]-4:O[3]-2:C[5]-3:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6](C[3,5,5]C[3,5]C[5]O[3])(C[5,6]C[5,6]C[5]O)(C[5,6]C[5,6]O[5]H)(CH3)	C[3,5,5](C[5,5,6]C[5,6]2C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)	C(C[5,5,6]C[3,5,5]C[5,6]2)(H)3	C[5,5,6](C[3,5,5]C[3,5]C[5]O[3])(C[5,6]C[5,6]C[5]O)(C[5,6]C[5,6]O[5]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[3,5,5](C[5,5,6]C[5,6]2C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O){1|O<2>,2|C<4>,3|H<1>}	C(C[5,5,6]C[3,5,5]C[5,6]2)(H)3	111.4265	0.558	2	111.4265	0.311	2	111.4265	0.311	2	111.4265	0.311	2	111.4265	0.311	2	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	C	3:4:2:4:	4:4:4:1:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(H)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){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(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(H)3	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	117.5968	0.952	8	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	C	4:2:2:4:	4:4:3:3:	4:1:1:1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C[3,5,6]-4:C[5,5,6]-4:C[3]-3:C-3:	C[5,5,6]-4:H-1:H-1: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])(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]C)(CC[6a]O)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	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])(CH3){1|C<3>,2|C<4>}	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]C)(CC[6a]O){1|C<2>,1|C<4>}	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	118.9070	0.000	1	118.9070	0.000	1	118.9070	0.000	1	118.9070	0.000	1	117.5968	0.952	8	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	C	4:2:2:4:	4:4:3:4:	4:1:1:1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C[3,5,6]-4:C[5,5,6]-4:C[3]-3:C-4:	C[5,5,6]-4:H-1:H-1: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])(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]C)(CF3)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	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])(CH3){1|C<4>,2|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]C)(C[3]C[3,5,6]C)(CF3){1|C<2>,1|C<4>}	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	118.1320	0.000	1	118.1320	0.000	1	118.1320	0.000	1	118.1320	0.000	1	117.5968	0.952	8	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	C	4:2:3:4:	4:4:4:3:	4:1:1:1:	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:H-1:H-1: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(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	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(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	116.4345	0.904	2	116.4345	0.818	2	117.1573	1.029	4	117.1573	1.029	4	117.5968	0.952	8	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	C	4:2:3:4:	4:4:4:3:	4:1:1:1:	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:H-1:H-1: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(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	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(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	117.8800	0.424	2	117.8800	0.180	2	117.1573	1.029	4	117.1573	1.029	4	117.5968	0.952	8	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5,6]	C[3,5,6]	C	4:2:3:4:	4:4:4:4:	4:1:1:1:	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:H-1:H-1: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(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	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(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	116.9220	0.000	1	116.9220	0.000	1	116.9220	0.000	1	116.9220	0.000	1	117.5968	0.952	8	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5]	C[3,5,5]	C	3:3:4:4:	4:4:4:3:	4:2:1:1:	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:O-2:H-1:H-1:	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(C[5,5]C[3,5,5]C[5,6a]2)(OH)(H)2	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(C[5,5]C[3,5,5]C[5,6a]2)(OH)(H)2	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	115.7520	2.805	11	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5]	C[3,5,5]	C	3:3:4:4:	4:4:4:4:	4:4:1:1:	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-4:H-1:H-1:	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(C[5,5]C[3,5,5]C[5,6a]2)(CH3)(H)2	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(C[5,5]C[3,5,5]C[5,6a]2)(CH3)(H)2	118.7140	0.000	1	118.7140	0.000	1	118.7140	0.000	1	118.7140	0.000	1	115.7520	2.805	11	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5]	C[3,5,5]	C	4:3:2:4:	4:4:4:3:	4:1:1:1:	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:H-1:H-1:H-1:	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)	C(C[5,5]C[3,5,5]N[5]O[5])(H)3	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>}	C(C[5,5]C[3,5,5]N[5]O[5])(H)3	115.9350	0.000	1	115.9350	0.000	1	115.9350	0.000	1	115.9350	0.000	1	115.7520	2.805	11	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5]	C[3,5,5]	C	4:4:3:4:	4:4:4:4:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5,5]C[3,5,5]C[5]2)(H)3	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(C[5,5]C[3,5,5]C[5]2)(H)3	114.6760	0.000	1	114.6760	0.000	1	114.6760	0.000	1	115.0727	1.155	4	115.7520	2.805	11	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5]	C[3,5,5]	C	4:4:3:4:	4:4:4:4:	4:1:1:1:	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:H-1:H-1: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)	C(C[5,5]C[3,5,5]C[5]N[5])(H)3	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>}	C(C[5,5]C[3,5,5]C[5]N[5])(H)3	113.8850	0.000	1	113.8850	0.000	1	113.8850	0.000	1	115.0727	1.155	4	115.7520	2.805	11	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5]	C[3,5,5]	C	4:4:3:4:	4:4:4:4:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5,5]C[3,5,5]C[5]P[5])(H)3	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(C[5,5]C[3,5,5]C[5]P[5])(H)3	115.8650	0.800	2	115.8650	0.641	2	115.8650	0.641	2	115.0727	1.155	4	115.7520	2.805	11	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5]	C[3,5,5]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	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-4:H-1:H-1:	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)	C(C[5,5]C[3,5,5]C[3x5]H)(CCCH)(H)2	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>}	C(C[5,5]C[3,5,5]C[3x5]H)(CCCH)(H)2	117.1200	0.000	1	117.1200	0.000	1	116.4900	0.794	2	116.4900	0.794	2	115.7520	2.805	11	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5]	C[3,5,5]	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	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-4:H-1:H-1:	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)	C(C[5,5]C[3,5,5]C[3x5]H)(CCHO)(H)2	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>}	C(C[5,5]C[3,5,5]C[3x5]H)(CCHO)(H)2	115.8600	0.000	1	115.8600	0.000	1	116.4900	0.794	2	116.4900	0.794	2	115.7520	2.805	11	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,5]	C[3,5,5]	C	4:4:4:4:	4:4:3:4:	4:1:1:1:	C[3,5,5]-4:C[3x5]-4:C-4:C-4:	C[3,5,5]-4:C[3,5,5]-4:C[6a]-3:C[5,5]-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5](C[3,5,5]C[3,5,5]2C[6a])(C[3x5]C[5,5]2H)(CH3)2	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C)(C[3,5,5]C[3,5,5]C[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,5]C[3x5]CC)	C(C[5,5]C[3,5,5]C[3x5]C)(H)3	C[5,5](C[3,5,5]C[3,5,5]2C[6a])(C[3x5]C[5,5]2H)(CH3)2{1|C<4>,2|C<3>,5|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]C)(C[3,5,5]C[3,5,5]C[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,5]C[3x5]CC){3|C<3>,6|H<1>}	C(C[5,5]C[3,5,5]C[3x5]C)(H)3	113.7995	0.651	2	113.7995	0.424	2	113.7995	0.424	2	113.7995	0.424	2	115.7520	2.805	11	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6,6]	C[3,5,6]	C	4:4:3:4:	4:4:4:3:	4:4:1:1:	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-4:H-1:H-1:	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)	C(C[5,6,6]C[3,5,6]C[5,6]N[6,6])(CCCH)(H)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>}	C(C[5,6,6]C[3,5,6]C[5,6]N[6,6])(CCCH)(H)2	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	113.7650	7.058	5	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C[5,5,6,6]-4:C[5,6,6]-4:C[3]-4:O[3]-2:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6](C[3,5,6]C[5,5,6,6]C[3]O[3])(C[5,5,6]C[3x5,6]O[5,6]O)(C[6,6]C[4x6]HH)(CH3)	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(C[5,6,6]C[3,5,6]C[5,5,6]C[6,6])(H)3	C[5,6,6](C[3,5,6]C[5,5,6,6]C[3]O[3])(C[5,5,6]C[3x5,6]O[5,6]O)(C[6,6]C[4x6]HH)(CH3){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	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(C[5,6,6]C[3,5,6]C[5,5,6]C[6,6])(H)3	114.9405	0.446	4	114.9405	0.199	4	114.9405	0.199	4	114.9405	0.199	4	113.7650	7.058	5	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6,6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[3,5,6,6]-4:C[5]-4:C[6]-4:C-4:	C[3,6,6]-4:C[3]-4:C[5,6]-4:N[5,6]-3:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6,6]C[3,6,6]N[5,6]C[3])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[3,5,6,6](C[3,6,6]C[3]C[6]2)(C[3]C[3,6,6]ClH)(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])	C(C[5,6]C[3,5,6,6]C[5]C[6])(H)3	C[5,6](C[3,5,6,6]C[3,6,6]N[5,6]C[3])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>}	C[3,5,6,6](C[3,6,6]C[3]C[6]2)(C[3]C[3,6,6]ClH)(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6]){10|H<1>,1|O<1>,2|C<4>}	C(C[5,6]C[3,5,6,6]C[5]C[6])(H)3	111.1400	0.000	1	111.1400	0.000	1	111.1400	0.000	1	111.1400	0.000	1	111.1400	0.000	1	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:3:2:4:	4:4:4:1:	4:4:4:1:	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-4:C-4: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(C[5,6]C[3,5,6]C[6]O[5])(CH3)2(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(C[5,6]C[3,5,6]C[6]O[5])(CH3)2(H)	115.1960	0.000	1	115.1960	0.000	1	115.1960	0.000	1	115.1960	0.000	1	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5,6]C[3,5,6]C[6,6]C[5])(H)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){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(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5,6]C[3,5,6]C[6,6]C[5])(H)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){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(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:2:4:	4:4:4:2:	4:1:1:1:	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:H-1:H-1:H-1:	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])	C(C[5,6]C[3,5,6]C[5]O[6])(H)3	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>}	C(C[5,6]C[3,5,6]C[5]O[6])(H)3	110.5655	0.124	2	110.5655	0.015	2	110.5655	0.015	2	110.5655	0.015	2	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:3:4:	4:4:3:2:	4:1:1:1:	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:H-1:H-1:H-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(C[5,6]C[3,5,6]C[5,6]C[6])(H)3	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(C[5,6]C[3,5,6]C[5,6]C[6])(H)3	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	107.7200	0.078	2	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:3:4:	4:4:3:2:	4:1:1:1:	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:H-1:H-1:H-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(C[5,6]C[3,5,6]C[5]C[6])(H)3	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(C[5,6]C[3,5,6]C[5]C[6])(H)3	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	107.7200	0.078	2	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	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:H-1:H-1: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(C[5,6]C[3,5,6]C[5]C[6])(H)3	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(C[5,6]C[3,5,6]C[5]C[6])(H)3	110.8560	1.017	2	110.8560	1.034	2	110.8560	1.034	2	110.8560	1.034	2	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[6]-4:C[5]-3:C-4:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-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(C[5,6]C[3,5,6]C[5]C[6])(H)3	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(C[5,6]C[3,5,6]C[5]C[6])(H)3	109.7860	0.000	1	110.4235	0.813	2	110.4235	0.813	2	110.4235	0.813	2	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:3:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[6]-4:C[5]-3:C-4:	C[3,6]-4:C[5,6]-4:C[5]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-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(C[5,6]C[3,5,6]C[5]C[6])(H)3	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(C[5,6]C[3,5,6]C[5]C[6])(H)3	111.0610	0.000	1	110.4235	0.813	2	110.4235	0.813	2	110.4235	0.813	2	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	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:H-1:H-1:H-1:	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)	C(C[5,6]C[3,5,6]C[5,6,6]H)(H)3	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>}	C(C[5,6]C[3,5,6]C[5,6,6]H)(H)3	115.2260	0.313	3	115.2260	0.098	3	115.2260	0.098	3	115.2260	0.098	3	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	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:O-2:H-1:H-1:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]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)	C(C[5,6]C[3,5,6]C[5,6,6]H)(OC)(H)2	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>}	C(C[5,6]C[3,5,6]C[5,6,6]H)(OC)(H)2	113.7190	0.000	1	113.7190	0.000	1	113.7190	0.000	1	113.7190	0.000	1	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[5]-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,6,6]C[5]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	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)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,6,6]C[5]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	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>}	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[3,5]-4:C[5,6]-4:C[6]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[3]C[3,5])	C(C[5,6]C[3,5,6]C[5,6]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<4>,8|H<1>}	C[3,5,6](C[3,5]C[5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(O[3]C[3,5]){1|O<2>,3|C<4>,5|H<1>}	C(C[5,6]C[3,5,6]C[5,6]C[6])(H)3	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	112.2250	3.634	19	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	109.7920	0.000	1	109.6525	0.039	2	111.0529	2.632	8	112.2250	3.634	19	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	109.5130	0.000	1	109.6525	0.039	2	111.0529	2.632	8	112.2250	3.634	19	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	113.5890	0.000	1	113.5890	0.000	1	111.0529	2.632	8	112.2250	3.634	19	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[3,6]HH)(CH3)	C[3,5,6](C[6,6]C[3,6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[3,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3,5,6](C[6,6]C[3,6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	110.8535	0.552	2	110.8535	0.305	2	111.0529	2.632	8	112.2250	3.634	19	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	113.5070	0.000	1	111.8795	5.298	2	111.0529	2.632	8	112.2250	3.634	19	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5])	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[3,5,6](C[6,6]C[6,6]C[6]C)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	110.2520	0.000	1	111.8795	5.298	2	111.0529	2.632	8	112.2250	3.634	19	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[6,6]-4:C[3,5]-4:C[5,6]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C[3,5,6](C[6,6]C[6,6]C[6]H)(C[3,5]C[5]O[3]H)(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])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3,5,6](C[6,6]C[6,6]C[6]H)(C[3,5]C[5]O[3]H)(C[5,6]C[5]C[6]C)(O[3]C[3,5]){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	110.0630	0.000	1	110.0630	0.000	1	111.0529	2.632	8	112.2250	3.634	19	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	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])	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,8|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>}	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	113.6656	1.405	7	113.4308	1.586	10	113.4308	1.586	10	112.2250	3.634	19	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	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])	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,3|O<2>,6|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>}	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	113.1370	0.000	1	113.4308	1.586	10	113.4308	1.586	10	112.2250	3.634	19	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	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])	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,2|C<3>,8|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>}	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	113.4830	0.000	1	113.4308	1.586	10	113.4308	1.586	10	112.2250	3.634	19	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	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])	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,2|C<4>,8|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>}	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	112.0290	0.000	1	113.4308	1.586	10	113.4308	1.586	10	112.2250	3.634	19	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[3,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(CH3)	C[3,5,6](C[5,6]C[5,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]O)	C(C[5,6]C[3,5,6]C[5,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[3,5,6](C[5,6]C[5,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|I<1>,2|C<4>,6|H<1>}	C(C[5,6]C[3,5,6]C[5,6]C[5])(H)3	111.3930	0.000	1	111.3930	0.000	1	111.3930	0.000	1	111.9296	0.414	7	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(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]H)(C[3]C[3,5]HH)(C[6]C[6]H)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,9|H<1>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H){2|C<4>,6|H<1>}	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	112.2492	0.373	5	112.2492	0.139	5	112.0190	0.429	6	111.9296	0.414	7	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(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]H)(C[3]C[3,5]HH)(C[6]C[6]O)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,3|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]H)(C[3]C[3,5]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	110.8680	0.000	1	110.8680	0.000	1	112.0190	0.429	6	111.9296	0.414	7	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(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]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,3|C<4>,9|H<1>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO){2|C<4>,7|H<1>}	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	112.1676	0.193	5	112.2452	0.066	6	111.4955	1.119	10	111.4955	1.119	10	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(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]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){2|O<2>,3|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]H)(C[3]C[3,5]HH)(C[6]C[6]HO){2|C<4>,7|H<1>}	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	112.6330	0.000	1	112.2452	0.066	6	111.4955	1.119	10	111.4955	1.119	10	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]O)(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]H)(C[3]C[3,5]HH)(C[6]C[6]HO)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]O)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	110.3710	0.661	4	110.3710	0.437	4	111.4955	1.119	10	111.4955	1.119	10	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5,6]	C	4:4:4:4:	4:4:4:4:	4:2:1:1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-4:	C[5,6]-4:C-2:H-1:H-1:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[5]C[6]C)(C[3]C[3,5]HH)(C[6]C[6]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(CC)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<3>,9|H<1>}	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[5]C[6]C)(C[3]C[3,5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,6|H<1>}	C(C[5,6]C[3,5,6]C[5]C[6])(CC)(H)2	108.7370	0.000	1	108.7370	0.000	1	108.7370	0.000	1	108.7370	0.000	1	111.6870	4.121	53	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	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:H-1:H-1: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]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(C[5,6]C[5,6,6]C[3,5]C[6])(H)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){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(C[5,6]C[5,6,6]C[3,5]C[6])(H)3	111.5600	0.000	1	111.7850	0.101	2	111.7850	0.101	2	111.7850	0.101	2	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	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:H-1:H-1: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]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(C[5,6]C[5,6,6]C[3,5]C[6])(H)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){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(C[5,6]C[5,6,6]C[3,5]C[6])(H)3	112.0100	0.000	1	111.7850	0.101	2	111.7850	0.101	2	111.7850	0.101	2	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:2:3:4:	4:4:2:1:	4:4:1:1:	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-4:H-1:H-1:	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)	C(C[5,6]C[3,5]O[5,6]N[6])(CCHH)(H)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){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>}	C(C[5,6]C[3,5]O[5,6]N[6])(CCHH)(H)2	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5,6]C[3,5]C[5,6]C[6])(H)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){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(C[5,6]C[3,5]C[5,6]C[6])(H)3	106.9180	0.000	1	106.9180	0.000	1	109.5115	13.452	2	109.5115	13.452	2	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5,6]C[3,5]C[5,6]C[6])(H)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){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(C[5,6]C[3,5]C[5,6]C[6])(H)3	112.1050	0.000	1	112.1050	0.000	1	109.5115	13.452	2	109.5115	13.452	2	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:2:4:	4:4:4:1:	4:1:1:1:	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:H-1:H-1:H-1:	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)	C(C[5,6]C[3,5]C[5,6]O[6])(H)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){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>}	C(C[5,6]C[3,5]C[5,6]O[6])(H)3	117.3180	0.173	2	117.3180	0.030	2	117.3180	0.030	2	117.3180	0.030	2	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:2:4:	4:4:4:2:	4:1:1:1:	C[3,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:C[5]-4:C[3]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6]O[5]2)(O[5,6]C[5,6])(CH3)	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])	C(C[5,6]C[3,5]C[5,6]O[5,6])(H)3	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6]O[5]2)(O[5,6]C[5,6])(CH3){4|C<4>,6|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>}	C(C[5,6]C[3,5]C[5,6]O[5,6])(H)3	115.7540	0.000	1	115.7540	0.000	1	115.7540	0.000	1	115.7540	0.000	1	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:3:4:	4:4:2:4:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5,6]C[3,5]C[3,6]C[5,6])(H)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){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(C[5,6]C[3,5]C[3,6]C[5,6])(H)3	111.5280	0.000	1	111.5280	0.000	1	111.5280	0.000	1	111.5280	0.000	1	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:3:4:	4:4:4:1:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	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(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	111.9720	0.000	1	111.9720	0.000	1	111.9720	0.000	1	111.9720	0.000	1	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[3,5]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]C)(O[3]C[3,5])(H)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]C)(O[3]C[3,5])(H){3|C<4>,4|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:2:3:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-3:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){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[5]O[3]H)(O[3]C[3,5])(CCO){1|C<3>,1|C<4>,5|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	107.4020	0.000	1	106.4481	0.413	11	106.4481	0.413	11	106.4481	0.413	11	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:2:3:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-3:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO){1|O<2>,2|C<4>,4|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	105.3090	0.000	1	106.4481	0.413	11	106.4481	0.413	11	106.4481	0.413	11	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:2:3:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-3:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO){2|C<4>,5|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	106.8630	0.408	4	106.4481	0.413	11	106.4481	0.413	11	106.4481	0.413	11	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:2:3:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-3:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCO){2|C<4>,5|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	106.1532	0.272	5	106.4481	0.413	11	106.4481	0.413	11	106.4481	0.413	11	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCHO)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){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[5]O[3]H)(O[3]C[3,5])(CCHO){1|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	108.6140	0.000	1	108.6140	0.000	1	111.9515	22.278	2	111.9515	22.278	2	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(CH3)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CC[6]CH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CC[6]CH){2|C<4>,2|O<2>,3|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	115.2890	0.000	1	115.2890	0.000	1	111.9515	22.278	2	111.9515	22.278	2	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:N[5a]-3:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5]C[3,5]N[5a]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(N[5a]C[5a]2)(O[3]C[3,5])	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]N[5a]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(N[5a]C[5a]2)(O[3]C[3,5]){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	105.4180	0.000	1	105.4180	0.000	1	105.4180	0.000	1	105.4180	0.000	1	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[5]H)(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(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,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]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	112.1460	0.000	1	112.1460	0.000	1	112.1290	0.224	6	111.9614	1.280	11	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	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)(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(C[5,6]C[3,5]C[5,6]C[6])(H)3	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)(CH3){1|C<3>,1|C<4>,3|O<2>,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]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	111.7600	0.000	1	112.0360	0.081	3	112.1290	0.224	6	111.9614	1.280	11	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	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)(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(C[5,6]C[3,5]C[5,6]C[6])(H)3	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)(CH3){1|C<4>,1|O<1>,2|O<2>,5|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|O<1>,2|C<4>,3|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	112.0210	0.000	1	112.0360	0.081	3	112.1290	0.224	6	111.9614	1.280	11	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	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)(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(C[5,6]C[3,5]C[5,6]C[6])(H)3	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)(CH3){2|C<3>,3|O<2>,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]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	112.3270	0.000	1	112.0360	0.081	3	112.1290	0.224	6	111.9614	1.280	11	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(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(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|O<1>,3|C<4>,5|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|O<1>,2|H<1>,3|C<4>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	112.9300	0.000	1	112.9300	0.000	1	112.1290	0.224	6	111.9614	1.280	11	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(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(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,7|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>,2|C<4>,3|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	111.5900	0.000	1	111.5900	0.000	1	112.1290	0.224	6	111.9614	1.280	11	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[4,6]C[4,5,6]C[4,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	C[3,5](C[5,6]C[4,6]C[5,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H)	C(C[5,6]C[3,5]C[4,6]C[5,6])(H)3	C[5,6](C[4,6]C[4,5,6]C[4,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3,5](C[5,6]C[4,6]C[5,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[3,5]C[4,6]C[5,6])(H)3	112.4750	0.205	2	112.4750	0.042	2	112.4750	0.042	2	111.9614	1.280	11	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[3,5]-4:C[5,6]-4:C[3]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	C[3,5](C[3,5]C[3]C[5]H)(C[5,6]C[5,6]2C)(C[3]C[3,5]HH)(H)	C(C[5,6]C[3,5]C[5,6]2)(H)3	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[5,6]C[5,6]2C)(C[3]C[3,5]HH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]C[3,5]C[5,6]2)(H)3	113.0350	0.000	1	113.0350	0.000	1	113.0350	0.000	1	111.9614	1.280	11	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(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(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|O<2>,3|C<3>,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<3>,2|H<1>,3|C<4>}	C(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	108.8330	0.000	1	108.8330	0.000	1	110.4080	4.961	2	111.9614	1.280	11	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[3,5]-4:C[3]-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[6,6]C[5,6,6]O[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(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(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	C[5,6](C[6,6]C[5,6,6]O[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,5|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<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	111.9830	0.000	1	111.9830	0.000	1	110.4080	4.961	2	111.9614	1.280	11	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[3,5]-4:C[5,6]-4:C[3]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5]C[3,5]C[3]O[3])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(O[3]C[3])	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]O[3])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[3,5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(C[3]O[3]HH)(O[3]C[3]){2|C<4>,2|H<1>,2|O<2>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	107.9990	0.049	2	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,5]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:C[3]-4:C[5]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	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])	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,9|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>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	108.1560	0.000	1	108.1560	0.000	1	108.1560	0.000	1	107.9990	0.049	2	110.4118	13.045	38	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,6,6]	C	4:4:4:4:	4:3:4:2:	4:1:1:1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6,6]-3:C[3,6]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	C[3,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C(C[5,6]C[3,6,6]C[5,6]C[5])(H)3	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[3,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C(C[5,6]C[3,6,6]C[5,6]C[5])(H)3	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	106.8880	0.432	2	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,6,6]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6,6]-4:C[5,6]-4:O[3]-2:C[6]-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5]C)(O[3]C[3,6,6])(C[6]C[6]HH)	C(C[5,6]C[3,6,6]C[5,6]C[5])(H)3	C[5,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(C[5,6]C[5,6]C[5]C)(O[3]C[3,6,6])(C[6]C[6]HH){6|H<1>,7|C<4>}	C(C[5,6]C[3,6,6]C[5,6]C[5])(H)3	106.4230	0.000	1	106.4230	0.000	1	106.4230	0.000	1	106.4230	0.000	1	106.8880	0.432	2	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,6]	C	4:2:4:4:	4:4:2:1:	4:4:4:1:	C[3,6]-4:O[5,6]-2:C[5]-4:C-4:	C[3,5,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:C-4:C-4:H-1:	C[5,6](C[3,6]C[3,5,6]O[3]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(O[3]C[3,5,6])(H)	C(C[5,6]C[3,6]O[5,6]C[5])(CH3)2(H)	C[5,6](C[3,6]C[3,5,6]O[3]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[5,6]O[5,6]C[5]C)(O[3]C[3,5,6])(H){1|O<2>,3|H<1>,5|C<4>}	C(C[5,6]C[3,6]O[5,6]C[5])(CH3)2(H)	112.9220	0.000	1	112.9220	0.000	1	112.9220	0.000	1	112.9220	0.000	1	110.3024	1.572	9	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,6]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[3,6]-4:O[5]-2:C-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3)	C[3,6](C[5,6]C[5,6]O[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C(C[5,6]C[3,6]C[5,6]O[5])(H)3	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3){1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[5,6]C[5,6]O[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[3,6]C[5,6]O[5])(H)3	110.1200	0.836	4	110.1200	0.699	4	110.1200	0.699	4	110.1200	0.699	4	110.3024	1.572	9	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,6]	C	4:4:3:4:	4:4:2:3:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5,6]C[3,5]C[3,6]C[5,6])(H)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){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(C[5,6]C[3,5]C[3,6]C[5,6])(H)3	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	110.3024	1.572	9	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,6]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,6]-4:C[5,6]-4:C[5]-4:C-4:	C[3,6]-4:C[5,6]-4:O[3]-2:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3)	C[3,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(O[3]C[3,6])(H)	C(C[5,6]C[3,6]C[5,6]C[5])(H)3	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(O[3]C[3,6])(H){2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[3,6]C[5,6]C[5])(H)3	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	110.3024	1.572	9	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,6]	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C[3,6]-4:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[3,6]-4:O[3]-2:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CHHO)	C[3,6](C[5,6]C[5,6]C[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H)	C(C[5,6]C[3,6]C[5,6]C[5])(OH)(H)2	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CHHO){1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[5,6]C[5,6]C[5]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(H){1|O<2>,2|C<4>,5|H<1>}	C(C[5,6]C[3,6]C[5,6]C[5])(OH)(H)2	109.7370	0.000	1	109.7370	0.000	1	109.7370	0.000	1	109.7370	0.000	1	110.3024	1.572	9	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5,6]	C[3,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[3]-4:C[6]-4:O[3]-2:	C[5,6]-4:H-1:H-1:H-1:	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(CH3)	C[3,6](C[5,6]C[5,5]C[5,6]C)(C[3]O[3]CH)(C[6]C[6]CC)(O[3]C[3])	C(C[5,6]C[3,6]C[5,5]C[5,6])(H)3	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	C[3,6](C[5,6]C[5,5]C[5,6]C)(C[3]O[3]CH)(C[6]C[6]CC)(O[3]C[3]){2|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[3,6]C[5,5]C[5,6])(H)3	109.9140	0.000	1	109.9140	0.000	1	109.9140	0.000	1	109.9140	0.000	1	110.3024	1.572	9	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5,5]	C	4:3:4:1:	4:4:3:4:	4:2:1:1:	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:O-2:H-1:H-1:	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)	C(C[5]C[3,5,5]N[5]H)(OH)(H)2	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>}	C(C[5]C[3,5,5]N[5]H)(OH)(H)2	112.0470	0.000	1	112.0470	0.000	1	112.0470	0.000	1	112.0470	0.000	1	112.0610	1.983	3	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5,5]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	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:H-1:H-1:H-1:	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)	C(C[5]C[3,5,5]N[5]C)(H)3	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>}	C(C[5]C[3,5,5]N[5]C)(H)3	112.0680	1.991	2	112.0680	3.965	2	112.0680	3.965	2	112.0680	3.965	2	112.0610	1.983	3	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5,6,6]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	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:H-1:H-1:H-1:	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)	C(C[5]C[3,5,6,6]C[5]H)(H)3	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>}	C(C[5]C[3,5,6,6]C[5]H)(H)3	113.4040	0.000	1	113.4040	0.000	1	113.4040	0.000	1	113.4040	0.000	1	113.4040	0.000	1	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5,6]	C	4:4:4:2:	4:4:4:2:	4:1:1:1:	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:H-1: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])	C(C[5]C[3,5,6]C[5]O)(H)3	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>}	C(C[5]C[3,5,6]C[5]O)(H)3	112.8780	0.000	1	112.8780	0.000	1	112.8780	0.000	1	112.8780	0.000	1	111.7684	4.026	5	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[5,5]-4:C-4:C-4:	C[3,5,6]-4:C[5]-4:C[6]-4:O[3]-2:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(CH3)2	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]CC)(C[6]C[6,6]HH)(O[3]C[3,5,6])	C(C[5]C[3,5,6]C[5,5]C)(H)3	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(CH3)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5]C[5,5]CC)(C[6]C[6,6]HH)(O[3]C[3,5,6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[5]C[3,5,6]C[5,5]C)(H)3	110.3345	3.036	2	110.3345	9.215	2	110.3345	9.215	2	111.0950	6.343	3	111.7684	4.026	5	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C[3,5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CHHO)(CH3)	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])	C(C[5]C[3,5,6]C[5]C)(H)3	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CHHO)(CH3){1|H<1>,5|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>}	C(C[5]C[3,5,6]C[5]C)(H)3	112.6160	0.000	1	112.6160	0.000	1	112.6160	0.000	1	111.0950	6.343	3	111.7684	4.026	5	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5,6]	C	4:4:4:4:	4:4:4:2:	4:2:1:1:	C[3,5,6]-4:C[5]-4:C-4:C-4:	C[5,6]-4:C[3,6]-4:C[5]-4:O[3]-2:	C[5]-4:O-2:H-1:H-1:	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CHHO)(CH3)	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])	C(C[5]C[3,5,6]C[5]C)(OH)(H)2	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CHHO)(CH3){1|H<1>,5|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>}	C(C[5]C[3,5,6]C[5]C)(OH)(H)2	112.6790	0.000	1	112.6790	0.000	1	112.6790	0.000	1	112.6790	0.000	1	111.7684	4.026	5	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	3:4:4:1:	4:4:4:2:	4:4:4:4:	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-4:C-4:C-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])	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	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(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	113.9780	0.000	1	113.9780	0.000	1	113.9780	0.000	1	113.9780	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	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]-4:H-1:H-1:H-1:	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(C[5]C[5,6a]C[3,5]C)(H)3	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(C[5]C[5,6a]C[3,5]C)(H)3	109.3455	1.059	2	109.3455	1.121	2	109.3455	1.121	2	108.3773	3.372	3	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	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[5]-4:H-1:H-1:H-1:	C[5](C[6a]C[5a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)	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(C[5]C[3,5]C[6a]C[5])(H)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){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(C[5]C[3,5]C[6a]C[5])(H)3	106.4410	0.000	1	106.4410	0.000	1	106.4410	0.000	1	108.3773	3.372	3	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	3:4:4:4:	4:4:4:2:	4:1:1:1:	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]-4:H-1:H-1:H-1:	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(C[5]C[5,6a]C[3,5]C)(H)3	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(C[5]C[5,6a]C[3,5]C)(H)3	112.3020	0.000	1	112.3020	0.000	1	112.3020	0.000	1	112.3020	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	3:4:4:4:	4:4:4:2:	4:4:1:1:	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]-4:C-4:H-1:H-1:	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(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	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(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:2:4:1:	4:4:2:1:	4:2:1:1:	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:O-2:H-1:H-1:	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)	C(C[5]C[3,5]O[5]H)(OC)(H)2	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>}	C(C[5]C[3,5]O[5]H)(OC)(H)2	115.4890	0.000	1	115.4890	0.000	1	115.4890	0.000	1	115.4890	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	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-3:H-1:H-1:	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)	C(C[5]C[3,5]O[5]H)(CCC)(H)2	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>}	C(C[5]C[3,5]O[5]H)(CCC)(H)2	114.9330	0.000	1	114.9330	0.000	1	114.9330	0.000	1	116.1805	3.113	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:2:4:1:	4:4:2:1:	4:3:1:1:	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:N[5]-3:H-1:H-1:	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)	C(C[5]C[3,5]O[5]H)(N[5]C[5]2)(H)2	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>}	C(C[5]C[3,5]O[5]H)(N[5]C[5]2)(H)2	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	116.1805	3.113	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:2:4:1:	4:4:2:1:	4:4:1:1:	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[3]-4:H-1:H-1:	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)	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	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>}	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	116.8200	0.000	1	116.1165	0.990	2	116.1165	0.990	2	113.6397	18.899	3	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:2:4:1:	4:4:2:1:	4:4:1:1:	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[3]-4:H-1:H-1:	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)	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	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>}	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	115.4130	0.000	1	116.1165	0.990	2	116.1165	0.990	2	113.6397	18.899	3	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:2:4:1:	4:4:2:1:	4:4:1:1:	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]-4:H-1:H-1:	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)	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	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>}	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	113.6397	18.899	3	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:2:4:1:	4:4:2:1:	4:4:2:1:	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-4:O-2:H-1:	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)	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	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>}	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	111.7053	0.478	3	111.7053	0.228	3	111.7053	0.228	3	111.7053	0.228	3	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:2:4:1:	4:4:4:1:	4:1:1:1:	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:Cl-1:Cl-1:Cl-1:	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)	C(C[5]C[3,5]O[5]H)(Cl)3	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>}	C(C[5]C[3,5]O[5]H)(Cl)3	113.3030	0.000	1	113.3030	0.000	1	113.3030	0.000	1	113.3030	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:2:4:1:	4:4:4:4:	4:2:1:1:	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:O-2:H-1:H-1:	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)	C(C[5]C[3,5]O[5]H)(OH)(H)2	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>}	C(C[5]C[3,5]O[5]H)(OH)(H)2	115.2830	0.000	1	115.2830	0.000	1	115.2830	0.000	1	115.2830	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:2:4:2:	4:4:2:3:	4:4:4:1:	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:C-4:C-4:H-1:	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)	C(C[5]C[3,5]O[5]O)(CH3)2(H)	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>}	C(C[5]C[3,5]O[5]O)(CH3)2(H)	115.0000	0.000	1	115.0000	0.000	1	115.0000	0.000	1	115.0000	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[3,5]-4:O[5]-2:C-4:C-4:	C[3,5,6]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5,6]C[3]H)(O[5]C[5,6])(CH3)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]O[5]CC)(H)	C(C[5]C[3,5]O[5]C)(H)3	C[5](C[3,5]C[3,5,6]C[3]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,3|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]O[5]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[3,5]O[5]C)(H)3	112.2615	1.083	2	112.2615	1.172	2	112.2615	1.172	2	112.2615	1.172	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	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:F-1:F-1:F-1:	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)	C(C[5]C[3,5]N[5]H)(F)3	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>}	C(C[5]C[3,5]N[5]H)(F)3	111.5760	0.000	1	111.8422	3.303	4	111.8422	3.303	4	112.3364	3.698	5	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	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:F-1:F-1:F-1:	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)	C(C[5]C[3,5]N[5]H)(F)3	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>}	C(C[5]C[3,5]N[5]H)(F)3	111.9310	2.215	3	111.8422	3.303	4	111.8422	3.303	4	112.3364	3.698	5	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	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:H-1:H-1: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)	C(C[5]C[3,5]N[5]H)(H)3	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>}	C(C[5]C[3,5]N[5]H)(H)3	114.3130	0.000	1	114.3130	0.000	1	114.3130	0.000	1	112.3364	3.698	5	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:1:	4:4:2:1:	4:2:1:1:	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:O-2:H-1:H-1:	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)	C(C[5]C[3,5]N[5]H)(OC)(H)2	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>}	C(C[5]C[3,5]N[5]H)(OC)(H)2	112.9015	1.404	2	112.9015	1.970	2	112.9015	1.970	2	112.9015	1.970	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:1:	4:4:2:4:	4:1:1:1:	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:H-1:H-1:H-1:	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)	C(C[5]C[3,5]N[5]H)(H)3	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>}	C(C[5]C[3,5]N[5]H)(H)3	112.2310	0.868	3	112.4375	0.673	4	112.4375	0.673	4	112.4375	0.673	4	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:1:	4:4:2:4:	4:1:1:1:	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:H-1:H-1:H-1:	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)	C(C[5]C[3,5]N[5]H)(H)3	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>}	C(C[5]C[3,5]N[5]H)(H)3	113.0570	0.000	1	112.4375	0.673	4	112.4375	0.673	4	112.4375	0.673	4	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5]C[3,5]C[5]H)(H)3	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(C[5]C[3,5]C[5]H)(H)3	109.7260	0.065	2	109.1148	1.800	4	109.1148	1.800	4	109.1148	1.800	4	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:1:	4:4:4:1:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5]C[3,5]C[5]H)(H)3	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(C[5]C[3,5]C[5]H)(H)3	108.5035	1.975	2	109.1148	1.800	4	109.1148	1.800	4	109.1148	1.800	4	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:1:	4:4:4:4:	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-4:C-4:C-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)	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	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(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	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:H-1: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)	C(C[5]C[3,5]C[5,6]O)(H)3	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(C[5]C[3,5]C[5,6]O)(H)3	114.5960	0.000	1	114.9185	0.208	2	114.9185	0.208	2	114.9185	0.208	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:2:	4:4:4:1:	4:1:1:1:	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:H-1: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)	C(C[5]C[3,5]C[5,6]O)(H)3	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(C[5]C[3,5]C[5,6]O)(H)3	115.2410	0.000	1	114.9185	0.208	2	114.9185	0.208	2	114.9185	0.208	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:3:	3:4:3:4:	4:4:1:1:	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-4:H-1: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)	C(C[5]C[3,5]N[5]C)(CHHS)(H)2	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)(CHHS)(H)2	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:3:	4:3:3:4:	4:1:1:1:	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:H-1:H-1: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)	C(C[5]C[3,5]N[5]C)(H)3	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)(H)3	109.6240	0.000	1	109.6240	0.000	1	109.6240	0.000	1	109.6240	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:3:	4:4:4:1:	4:1:1:1:	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:H-1:H-1: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(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]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)(H)3	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	109.2960	0.835	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:3:	4:4:4:1:	4:1:1:1:	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:F-1:F-1:F-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)(F)3	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)(F)3	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	109.2960	0.835	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	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:H-1:H-1:H-1:	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(C[5]C[3,5]C[6a]C[5])(H)3	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(C[5]C[3,5]C[6a]C[5])(H)3	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:2:1:	3:3:4:1:	3:4:1:1:	C[3,5]-4:C-4:O[5]-2:H-1:	N[3,5]-3:C[3]-3:C[5]-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	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)	C(C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O[5]H)(H)2	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>}	C(C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O[5]H)(H)2	115.0460	0.000	1	115.0460	0.000	1	115.0460	0.000	1	115.0460	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:2:3:	4:4:4:1:	4:3:1:1:	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:C[6a]-3:H-1:H-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)(C[6a]C[6a]2)(H)2	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)(C[6a]C[6a]2)(H)2	108.3580	0.000	1	108.3580	0.000	1	108.3580	0.000	1	108.3580	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:3:1:	4:4:4:4:	4:4:1:1:	C[3,5]-4:C-4:C[5]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	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(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]H)(H)2	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(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]H)(H)2	113.6415	0.728	2	113.6415	0.529	2	113.6415	0.529	2	113.6415	0.529	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:3:2:	4:4:4:4:	4:4:1:1:	C[3,5]-4:C-4:C[5]-3:O-2:	C[3,5]-4:C[3]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:H-1: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)	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]O)(H)2	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(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]O)(H)2	113.6470	0.458	2	113.6470	0.210	2	113.6470	0.210	2	113.6470	0.210	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	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:H-1:H-1:H-1:	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])	C(C[5]C[3,5]C[5]H)(H)3	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>}	C(C[5]C[3,5]C[5]H)(H)3	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:3:4:2:	4:3:1:1:	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[6a]-3:H-1:H-1:	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])	C(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	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>}	C(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	112.4100	0.000	1	112.4100	0.000	1	112.4100	0.000	1	112.4100	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	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:O-2:H-1:H-1:	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)	C(C[5]C[3,5]C[5]H)(OH)(H)2	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>}	C(C[5]C[3,5]C[5]H)(OH)(H)2	111.7040	0.000	1	111.7040	0.000	1	111.7040	0.000	1	111.7040	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	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-4:H-1:H-1:	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)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	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>}	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	105.3400	0.000	1	105.3400	0.000	1	105.3400	0.000	1	105.3400	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	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-4:C-4:H-1:	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)	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	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>}	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	114.7980	0.000	1	114.7980	0.000	1	114.7980	0.000	1	114.7980	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:2:1:	4:4:4:2:	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[6]-4:C-4:O-2:	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)	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	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>}	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	111.9483	0.308	7	111.9483	0.095	7	111.9483	0.095	7	111.9548	0.082	8	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:2:1:	4:4:4:2:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[6,6]-4:C[5]-4:C-4:O-2:	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)	C(C[6,6]C[5,6,6]2H)(C[5]C[3,5]C[5]H)(CH3)(OH)	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>}	C(C[6,6]C[5,6,6]2H)(C[5]C[3,5]C[5]H)(CH3)(OH)	112.0000	0.000	1	112.0000	0.000	1	112.0000	0.000	1	111.9548	0.082	8	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:2:4:	4:1:1:1:	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:H-1:H-1:H-1:	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)	C(C[5]C[3,5]C[5]H)(H)3	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>}	C(C[5]C[3,5]C[5]H)(H)3	110.2600	0.594	2	112.6492	5.527	8	112.6492	5.527	8	112.6492	5.527	8	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:2:4:	4:1:1:1:	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:H-1:H-1:H-1:	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)	C(C[5]C[3,5]C[5]H)(H)3	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>}	C(C[5]C[3,5]C[5]H)(H)3	113.4457	2.150	6	112.6492	5.527	8	112.6492	5.527	8	112.6492	5.527	8	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	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:H-1:H-1:H-1:	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)	C(C[5]C[3,5]C[5,5]H)(H)3	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>}	C(C[5]C[3,5]C[5,5]H)(H)3	111.1720	0.000	1	111.1720	0.000	1	111.1720	0.000	1	111.1720	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	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-4:C-4:H-1:	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)	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	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>}	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	113.3730	0.000	1	113.3730	0.000	1	113.3730	0.000	1	113.3730	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:4:2:	4:2:1:1:	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:O-2:H-1:H-1:	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])	C(C[5]C[3,5]C[5,5]H)(OH)(H)2	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>}	C(C[5]C[3,5]C[5,5]H)(OH)(H)2	113.9395	2.498	2	113.9395	6.241	2	113.9395	6.241	2	113.9395	6.241	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	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-4:H-1:H-1:	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])	C(C[5]C[3,5]C[5,5]H)(CC[5]HH)(H)2	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>}	C(C[5]C[3,5]C[5,5]H)(CC[5]HH)(H)2	114.4030	0.000	1	114.4030	0.000	1	114.4030	0.000	1	114.4030	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:4:2:	4:4:4:1:	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-4:C-4:H-1:	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])	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	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>}	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	115.4430	0.000	1	115.4430	0.000	1	115.4430	0.000	1	115.9352	3.625	4	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:4:2:	4:4:4:1:	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-4:C-4:H-1:	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])	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	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>}	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	116.0993	2.297	3	116.0993	5.276	3	116.0993	5.276	3	115.9352	3.625	4	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	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:H-1:H-1:H-1:	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)	C(C[5]C[3,5]C[5]H)(H)3	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>}	C(C[5]C[3,5]C[5]H)(H)3	111.3050	2.650	2	111.3050	7.024	2	111.3050	7.024	2	111.3050	7.024	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:4:3:	4:4:1:1:	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-4:H-1:H-1:	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)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	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>}	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	112.3820	0.000	1	112.3820	0.000	1	112.3820	0.000	1	114.1525	6.269	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:4:3:	4:4:1:1:	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-4:H-1:H-1:	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)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	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>}	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	115.9230	0.000	1	115.9230	0.000	1	115.9230	0.000	1	114.1525	6.269	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	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:H-1:H-1:H-1:	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)	C(C[5]C[3,5]C[5]H)(H)3	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>}	C(C[5]C[3,5]C[5]H)(H)3	118.4840	1.788	2	118.4840	3.195	2	118.4840	3.195	2	118.4840	3.195	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	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-3:H-1:H-1:	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)	C(C[5]C[3,5]C[5]H)(COO)(H)2	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>}	C(C[5]C[3,5]C[5]H)(COO)(H)2	115.3120	0.000	1	115.3120	0.000	1	115.3120	0.000	1	115.3120	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:1:	4:4:4:4:	4:3:3:1:	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-3:C-3:H-1:	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)	C(C[5]C[3,5]C[5]H)(COO)2(H)	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>}	C(C[5]C[3,5]C[5]H)(COO)2(H)	115.1950	0.000	1	115.1950	0.000	1	115.1950	0.000	1	115.1950	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:2:	4:4:2:3:	4:4:4:1:	C[3,5]-4:C[5]-4:C-4:O-2:	C[3,5]-4:C[5]-4:O[3]-2:C[5]-3:	C[5]-4:C-4:C-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)	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(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>}	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	112.8400	0.000	1	112.8400	0.000	1	112.8400	0.000	1	112.8400	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:2:	4:4:2:4:	4:1:1:1:	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:H-1: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)	C(C[5]C[3,5]C[5]O)(H)3	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>}	C(C[5]C[3,5]C[5]O)(H)3	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	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:H-1: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)	C(C[5]C[3,5]C[5]O)(H)3	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>}	C(C[5]C[3,5]C[5]O)(H)3	109.8015	0.524	4	109.8015	0.275	4	109.8015	0.275	4	110.5148	2.750	5	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	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:F-1:F-1:F-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)	C(C[5]C[3,5]N[5]O)(F)3	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>}	C(C[5]C[3,5]N[5]O)(F)3	113.3680	0.000	1	113.3680	0.000	1	113.3680	0.000	1	110.5148	2.750	5	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:2:	4:4:4:2:	4:1:1:1:	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:H-1: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])	C(C[5]C[3,5]C[5]O)(H)3	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>}	C(C[5]C[3,5]C[5]O)(H)3	114.1600	1.082	2	114.1600	1.170	2	114.1600	1.170	2	111.6760	4.261	6	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:2:	4:4:4:2:	4:1:1:1:	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:H-1: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])	C(C[5]C[3,5]C[5]O)(H)3	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>}	C(C[5]C[3,5]C[5]O)(H)3	111.0710	0.000	2	110.4340	0.541	4	110.4340	0.541	4	111.6760	4.261	6	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:2:	4:4:4:2:	4:1:1:1:	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:H-1: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])	C(C[5]C[3,5]C[5]O)(H)3	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>}	C(C[5]C[3,5]C[5]O)(H)3	109.7970	0.000	2	110.4340	0.541	4	110.4340	0.541	4	111.6760	4.261	6	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:2:	4:4:4:3:	4:1:1:1:	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:H-1: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)	C(C[5]C[3,5]C[5]O)(H)3	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>}	C(C[5]C[3,5]C[5]O)(H)3	116.1630	0.000	1	116.1630	0.000	1	116.1630	0.000	1	116.1630	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2{1|C<3>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[3,5]C[5]C)(H)3	108.5750	2.798	4	108.7270	6.809	24	108.8163	6.480	26	108.8163	6.480	26	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2{1|C<4>,2|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[3,5]C[5]C)(H)3	108.7574	2.646	20	108.7270	6.809	24	108.8163	6.480	26	108.8163	6.480	26	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[3,5]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CH3)2	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]CC)(O[3]C[3,5])(H)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]CC)(O[3]C[3,5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[3,5]C[5]C)(H)3	109.8890	1.701	2	109.8890	2.894	2	108.8163	6.480	26	108.8163	6.480	26	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]CH)(CC[5]HH)(CH3)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(CCHH)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]CH)(CC[5]HH)(CH3){3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(CCHH){1|C<4>,3|H<1>}	C(C[5]C[3,5]C[5]C)(H)3	107.0910	0.000	1	107.0910	0.000	1	111.3610	18.648	3	111.3610	18.648	3	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:4:	4:4:2:4:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5]O[3]C)(C[5]O[5]HH)(CH3)2	C[3,5](C[3,5]C[6a]O[3]O[5])(C[5]C[5]CC)(O[3]C[3,5])(CC3)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]C)(C[5]O[5]HH)(CH3)2{1|C<3>}	C[3,5](C[3,5]C[6a]O[3]O[5])(C[5]C[5]CC)(O[3]C[3,5])(CC3){2|C<3>,2|H<1>}	C(C[5]C[3,5]C[5]C)(H)3	113.4960	3.154	2	113.4960	9.946	2	111.3610	18.648	3	111.3610	18.648	3	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:4:	4:4:2:4:	4:4:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]CH)(CC[5]HH)(CH3)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(CCHH)	C(C[5]C[3,5]C[5]C)(C[5]C[5]O[5]H)(H)2	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]CH)(CC[5]HH)(CH3){3|H<1>}	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(CCHH){1|C<4>,3|H<1>}	C(C[5]C[3,5]C[5]C)(C[5]C[5]O[5]H)(H)2	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:4:	4:4:3:4:	4:1:1:1:	C[3,5]-4:N[5]-4:C-4:C-4:	C[3,5]-4:C[3]-4:C[6a]-3:C[5]-4:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(CH3)2	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6a]C[6a]2)(C[5]N[5]CC)	C(C[5]C[3,5]N[5]C)(H)3	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(CH3)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]HH)(C[6a]C[6a]2)(C[5]N[5]CC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[5]C[3,5]N[5]C)(H)3	112.8540	1.141	2	112.8540	1.302	2	112.8540	1.302	2	112.8540	1.302	2	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[3,5,5]-4:C[3]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(CH3)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]CC)(H)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(CH3)2{1|C<3>,1|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]CC)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[3,5]C[5]C)(H)3	110.6735	3.224	2	110.6735	10.392	2	110.6735	10.392	2	110.2187	2.142	9	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]C)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C(C[5]C[3,5]C[5]C)(H)3	109.7845	0.624	2	109.7845	0.390	2	109.7722	0.401	6	110.2187	2.142	9	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C-4:C-4:	C[3]-4:N[3,5]-4:C[5]-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3]N[3,5]C[5]H)(N[3,5]C[3]C[5]H)(C[5]C[5]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C(C[5]C[3,5]C[5]C)(H)3	109.7660	0.733	4	109.7660	0.537	4	109.7722	0.401	6	110.2187	2.142	9	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3,5]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3,5]-4:C[5]-4:C[5]-4:C-4:	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]CH)(C[5]O[5]2H)(CH3)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]2C)(H)	C(C[5]C[3,5]C[5]2)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(C[5]O[5]2H)(CH3){1|C<3>,2|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]2C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[3,5]C[5]2)(H)3	111.9880	0.000	1	111.9880	0.000	1	111.9880	0.000	1	110.2187	2.142	9	111.6993	8.546	142	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3]	C	4:4:2:4:	4:4:2:1:	4:1:1:1:	C[3]-4:C[5]-4:O[5]-2:C-4:	C[3,6]-4:C[5]-4:O[3]-2:H-1:	C[5]-4:H-1:H-1:H-1:	C[5](C[3]C[3,6]O[3]H)(C[5]C[5,6]HH)(O[5]C[5,6])(CH3)	C[3](C[3,6]C[6]2O[3])(C[5]C[5]O[5]C)(O[3]C[3,6])(H)	C(C[5]C[3]C[5]O[5])(H)3	C[5](C[3]C[3,6]O[3]H)(C[5]C[5,6]HH)(O[5]C[5,6])(CH3){2|C<4>,3|C<3>}	C[3](C[3,6]C[6]2O[3])(C[5]C[5]O[5]C)(O[3]C[3,6])(H){2|C<4>,3|C<3>,3|H<1>}	C(C[5]C[3]C[5]O[5])(H)3	109.8230	0.000	1	109.8230	0.000	1	109.8230	0.000	1	109.8230	0.000	1	112.3245	5.379	6	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3]	C	4:4:2:4:	4:4:2:1:	4:2:1:1:	C[3]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[3]-4:O[3]-2:H-1:	C[5]-4:O-2:H-1:H-1:	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(H)	C(C[5]C[3]C[5]O[5])(OC)(H)2	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO){2|O<2>,4|H<1>}	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[3]C[5]O[5])(OC)(H)2	112.9890	0.000	1	112.9890	0.000	1	112.9890	0.000	1	112.9890	0.000	1	112.3245	5.379	6	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3]	C	4:4:2:4:	4:4:2:4:	4:4:2:1:	C[3]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[5]-4:C-4:O-2:H-1:	C[5](C[3]C[3]O[3]C)(C[5]C[5]CH)(O[5]C[5])(CCHO)	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3)	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	C[5](C[3]C[3]O[3]C)(C[5]C[5]CH)(O[5]C[5])(CCHO){1|O<1>,4|H<1>}	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	110.7870	1.544	2	110.7870	2.385	2	110.7870	2.385	2	110.7870	2.385	2	112.3245	5.379	6	111.8872	9.236	292
474	486	490	0:SP3_SP3_SP3	C[5]	C[3]	C	4:4:3:4:	4:4:2:4:	4:1:1:1:	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:H-1:H-1:H-1:	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)	C(C[5]C[3]C[5]N[5])(H)3	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>}	C(C[5]C[3]C[5]N[5])(H)3	114.7805	1.010	2	114.7805	1.021	2	114.7805	1.021	2	114.7805	1.021	2	112.3245	5.379	6	111.8872	9.236	292