893	466	474	0:SP3_SP3_SP3	O	C[6,6]	C[5]	4:4:	3:4:2:2:	2:2:2:1:	C[6,6]-4:C[5]-4:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	N[5]-2:O[5]-2:O-2:H-1:	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]N[5]O[5]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5])	C[5](N[5]C[5])(O[5]C[5])(OC[6,6])(H)	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]N[5]O[5]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5]){1|H<1>,6|C<3>}	C[5](N[5]C[5])(O[5]C[5])(OC[6,6])(H){1|O<2>,2|C<3>}	120.4600	0.576	2	120.4600	0.331	2	120.4600	0.331	2	120.4600	0.331	2	119.7712	3.374	5	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6,6]	C[5]	4:4:	3:4:2:2:	3:3:2:2:	C[6,6]-4:C[5]-4:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[5]-3:C[6a]-3:O[5]-2:O-2:	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]C[6a]C[5]O[5])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6])	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]C[6a]C[5]O[5])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5]){1|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6]){1|O<2>,3|H<1>,4|C<3>}	120.6980	0.243	2	120.6980	0.059	2	120.6980	0.059	2	120.6980	0.059	2	119.7712	3.374	5	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6,6]	C[5]	4:4:	4:4:2:1:	4:4:2:1:	C[6,6]-4:C[5]-4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O(C[6,6]C[3x6]C[6,6]H)(C[5]C[5,5]C[5]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(OC[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[6,6])(H)	O(C[6,6]C[3x6]C[6,6]H)(C[5]C[5,5]C[5]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(OC[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OC[6,6])(H){2|C<4>,2|H<1>,2|O<2>}	116.5400	0.000	1	116.5400	0.000	1	116.5400	0.000	1	116.5400	0.000	1	119.7712	3.374	5	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5,5]	4:4:	4:2:2:1:	4:4:2:2:	C[5,5]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	O(C[5,5]C[5,5]2O[5])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,5])(H)	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OC[6])	O(C[5,5]C[5,5]2O[5])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OC[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	115.6460	0.000	1	115.6460	0.000	1	115.6460	0.000	1	115.6460	0.000	1	115.6460	0.000	1	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5,6]	4:4:	4:2:2:1:	4:4:3:2:	C[5,6]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){2|C<4>,4|H<1>}	118.8920	0.000	1	118.8920	0.000	1	118.8920	0.000	1	118.8920	0.000	1	118.0785	1.324	2	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5,6]	4:4:	4:4:2:1:	4:4:3:2:	C[5,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6])	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OC[6]){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	117.2650	0.000	1	117.2650	0.000	1	117.2650	0.000	1	117.2650	0.000	1	118.0785	1.324	2	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	3:3:2:4:	3:4:4:2:	C[5]-4:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:C-4:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	O(C[5]C[5,6a]C[5,5]C)(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OC[6])	O(C[5]C[5,6a]C[5,5]C)(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OC[6]){1|C<4>,2|H<1>,3|C<3>}	120.6280	0.000	1	120.6280	0.000	1	120.6280	0.000	1	120.6280	0.000	1	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:2:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H){1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|C<3>,2|H<1>}	114.2950	0.000	1	114.2950	0.000	1	114.2950	0.000	1	114.2950	0.000	1	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:2:2:1:	4:2:2:4:	C[5]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	117.7715	1.671	2	117.7715	2.792	2	116.7402	5.062	11	116.7402	5.062	11	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:2:2:1:	4:2:2:4:	C[5]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	117.4270	0.000	1	116.5110	5.653	9	116.7402	5.062	11	116.7402	5.062	11	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:2:2:1:	4:2:2:4:	C[5]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|I<1>,2|H<1>}	117.3480	0.000	1	116.5110	5.653	9	116.7402	5.062	11	116.7402	5.062	11	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:2:2:1:	4:2:2:4:	C[5]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	116.2606	2.685	7	116.5110	5.653	9	116.7402	5.062	11	116.7402	5.062	11	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:2:2:1:	4:2:4:2:	C[5]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6])	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	120.5340	0.000	1	120.5340	0.000	1	120.0588	1.926	5	120.0588	1.926	5	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:2:2:1:	4:2:4:2:	C[5]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6])	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	119.9400	1.573	4	119.9400	2.473	4	120.0588	1.926	5	120.0588	1.926	5	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:2:2:1:	4:3:2:1:	C[5]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	O(C[5]C[5,5,6]C[5]H)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OC[6])(H)	O(C[5]C[5,5,6]C[5]H)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OC[6])(H){1|O<2>,4|C<4>,5|H<1>}	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	116.0530	3.714	3	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:2:2:1:	4:3:2:1:	C[6]-4:C[5]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5]CC)(C[5]O[5]O)(OC[6])(H){2|H<1>}	117.1545	0.385	2	117.1545	0.149	2	117.1545	0.149	2	116.0530	3.714	3	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:2:2:1:	4:4:2:1:	C[5]-4:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O(C[5]C[5,5]C[5]H)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC[6])(H)	O(C[5]C[5,5]C[5]H)(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	114.4230	0.000	1	114.4230	0.000	1	114.4230	0.000	1	113.3262	1.717	5	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[5]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[5](C[5]C[5,6]HH)2(OC[6])(H)	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)2(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	111.7910	0.000	1	111.7910	0.000	1	113.0520	1.788	4	113.3262	1.717	5	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[5]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OC[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	112.7405	0.172	2	112.7405	0.030	2	113.0520	1.788	4	113.3262	1.717	5	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:2:2:1:	4:4:2:1:	C[6]-4:C[5]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(OC[6])(H){1|O<1>}	114.9360	0.000	1	114.9360	0.000	1	113.0520	1.788	4	113.3262	1.717	5	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-3:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<1>}	114.6360	0.000	1	114.8765	0.116	2	116.1502	0.521	14	116.1502	0.521	14	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-3:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>}	115.1170	0.000	1	114.8765	0.116	2	116.1502	0.521	14	116.1502	0.521	14	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-3:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Br<1>,1|O<1>}	116.5837	0.528	4	116.5645	0.206	8	116.1502	0.521	14	116.1502	0.521	14	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-3:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]N)(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>}	116.5453	0.449	4	116.5645	0.206	8	116.1502	0.521	14	116.1502	0.521	14	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-3:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]N[5])(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]N[5])(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>,2|C<4>}	116.1870	0.000	1	116.1870	0.000	1	116.1502	0.521	14	116.1502	0.521	14	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-3:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]N[6])(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]N[6])(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>,2|C<4>}	116.0930	0.341	2	116.0930	0.116	2	116.1502	0.521	14	116.1502	0.521	14	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	3:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-3:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[5])(H)	C[5](C[5]C[5]N[6])(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	C[5](C[5]C[5]N[6])(O[5]C[5])(OC[6])(H){1|Cl<1>,1|O<1>,2|C<4>}	115.4610	0.000	1	115.4610	0.000	1	116.1502	0.521	14	116.1502	0.521	14	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	3:2:2:4:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:O[5]-2:O-2:C-4:	O(C[5]C[5,6a]O[5]C)(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[6])(CCHH)	O(C[5]C[5,6a]O[5]C)(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[6])(CCHH){2|C<3>,3|H<1>}	118.9610	0.000	1	118.9610	0.000	1	118.9610	0.000	1	118.9610	0.000	1	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	3:3:2:3:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5]-3:O-2:C-3:	O(C[5]C[5,6a]C[5]C)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6])(COO)	O(C[5]C[5,6a]C[5]C)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6])(COO){2|H<1>,4|C<3>}	118.7840	0.000	1	118.7840	0.000	1	118.7840	0.000	1	118.7840	0.000	1	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	3:3:2:4:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:N[5]-3:O-2:C-4:	O(C[5]C[5,6a]N[5]C)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(OC[6])(CF3)	O(C[5]C[5,6a]N[5]C)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(OC[6])(CF3){1|H<1>,1|O<1>,2|C<3>}	118.4180	0.000	1	118.4180	0.000	1	118.4180	0.000	1	118.4180	0.000	1	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	3:4:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OC[6])(H)	O(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OC[6])(H){1|H<1>,1|S<4>,2|C<3>}	114.1095	1.729	2	114.1095	2.989	2	113.7247	1.939	3	113.7247	1.939	3	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	3:4:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6])(H)	O(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(OC[6])(H){1|H<1>,1|S<4>,2|C<3>}	112.9550	0.000	1	112.9550	0.000	1	113.7247	1.939	3	113.7247	1.939	3	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:O[5]-2:O-2:H-1:	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,1|P<4>,2|H<1>}	114.3070	1.612	3	114.3070	2.598	3	114.4772	1.848	4	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5,6]-4:O[5]-2:O-2:H-1:	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5,5,6]C[5,5,6]P[5,5,6]H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]P[5,5,6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|H<1>,1|O<1>,1|S<1>,2|C<4>}	114.9880	0.000	1	114.9880	0.000	1	114.4772	1.848	4	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O(C[5]C[5,5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5,5]C[5,5]2S)(O[5]C[5])(OC[6])(H)	O(C[5]C[5,5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]2S)(O[5]C[5])(OC[6])(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	115.9770	0.000	1	115.9770	0.000	1	115.9770	0.000	1	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|C<4>,1|O<1>,2|S<4>}	115.0050	0.000	1	115.2870	0.159	2	115.2077	0.098	3	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	115.5690	0.000	1	115.2870	0.159	2	115.2077	0.098	3	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>,2|C<4>}	115.0490	0.000	1	115.0490	0.000	1	115.2077	0.098	3	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	113.9840	0.239	2	113.9840	0.057	2	114.6294	0.712	15	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]2H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	114.9140	0.000	1	114.9140	0.000	1	114.6294	0.712	15	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>}	115.6680	0.711	2	115.5053	0.705	4	114.6294	0.712	15	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	115.3425	1.225	2	115.5053	0.705	4	114.6294	0.712	15	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	115.1440	0.000	1	114.4577	0.500	3	114.6294	0.712	15	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(OC[6])(H){1|Se<2>,1|H<1>,1|O<1>}	114.1145	0.541	2	114.4577	0.500	3	114.6294	0.712	15	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>}	113.9825	0.124	2	114.3433	0.398	3	114.6294	0.712	15	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]HN)(O[5]C[5])(OC[6])(H){1|O<1>,2|H<1>}	115.0650	0.000	1	114.3433	0.398	3	114.6294	0.712	15	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]HS)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]HS)(O[5]C[5])(OC[6])(H){1|O<1>,2|H<1>}	114.7910	0.000	1	114.7910	0.000	1	114.6294	0.712	15	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OC[6])(H){2|C<3>,4|H<1>}	113.3440	0.000	1	113.3440	0.000	1	114.6294	0.712	15	114.7370	0.834	23	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:4:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	O(C[5]C[5]O[5]C)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[5])(H)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	O(C[5]C[5]O[5]C)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|O<2>,3|H<1>}	117.2870	0.000	1	117.2870	0.000	1	117.2870	0.000	1	120.7050	23.365	2	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:2:2:4:	C[6]-4:C[5]-4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[5]-4:O[5]-2:O-2:C-4:	O(C[6]C[5,6]C[6,6]H)(C[5]C[5]O[5]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC[6])(CCHH)	O(C[6]C[5,6]C[6,6]H)(C[5]C[5]O[5]C)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC[6])(CCHH){1|C<4>,1|O<2>,2|H<1>}	124.1230	0.000	1	124.1230	0.000	1	124.1230	0.000	1	120.7050	23.365	2	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:3:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O(C[5]C[5]2H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[5])(H)	C[5](C[5]C[5]HH)(C[5]C[5]N)(OC[6])(H)	O(C[5]C[5]2H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(OC[6])(H){1|C<3>,2|H<1>}	113.8970	0.000	1	113.8970	0.000	1	113.8970	0.000	1	113.8970	0.000	1	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:1:	4:3:2:2:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-3:O[5]-2:O-2:	O(C[5]C[5]2O[5])(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(OC[6])	O(C[5]C[5]2O[5])(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(OC[6]){1|C<3>,1|O<1>,2|O<2>,4|H<1>}	119.0780	0.000	1	119.0780	0.000	1	119.0780	0.000	1	119.0780	0.000	1	116.0614	5.601	74	116.3317	6.109	82
893	466	474	0:SP3_SP3_SP3	O	C[6]	C[5]	4:4:	4:4:2:2:	4:4:2:1:	C[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:O-2:	C[5]-4:C[5]-4:O-2:H-1:	O(C[5]C[5]2H)(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[5])(OC)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H)	O(C[5]C[5]2H)(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[5])(OC){1|N<3>,4|H<1>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OC[6])(H){1|C<4>,1|H<1>,2|C<3>}	117.6160	0.000	1	117.6160	0.000	1	117.6160	0.000	1	117.6160	0.000	1	116.0614	5.601	74	116.3317	6.109	82
893	466	478	0:SP3_SP3_SP3	O	C[6]	C[4]	4:4:	4:2:2:1:	4:3:2:1:	C[6]-4:C[4]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[4]-4:C[4]-3:O-2:H-1:	O(C[6]C[6]O[6]H)(C[4]C[4]2H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[4])(H)	C[4](C[4]N[4]CC)(C[4]N[4]O)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[4]C[4]2H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[4])(H){1|O<2>,2|C<4>,2|H<1>}	C[4](C[4]N[4]CC)(C[4]N[4]O)(OC[6])(H){1|C<3>}	112.4310	1.709	3	112.4310	2.921	3	112.4310	2.921	3	112.4310	2.921	3	112.4310	2.921	3	112.4310	2.921	3
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	3:3:4:2:	2:4:1:1:	C[3x6]-4:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	O-2:C-4:H-1:H-1:	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C(OC[3x6])(CH3)(H)2	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C(OC[3x6])(CH3)(H)2	117.5520	1.022	2	117.3100	0.448	4	117.3100	0.448	4	117.3100	0.448	4	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	3:3:4:2:	2:4:1:1:	C[3x6]-4:C-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	O-2:C-4:H-1:H-1:	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C(OC[3x6])(CH3)(H)2	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C(OC[3x6])(CH3)(H)2	117.0680	0.252	2	117.3100	0.448	4	117.3100	0.448	4	117.3100	0.448	4	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	3:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6,6a]C[6,6]2)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6,6a]C[6,6]2)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(OC[3x6])(H)3	115.8100	0.000	1	115.8100	0.000	1	115.8100	0.000	1	115.8100	0.000	1	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	3:4:4:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6,6a]C[6,6]2)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6,6a]C[6,6]2)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(OC[3x6])(H)3	117.2860	0.000	1	117.2860	0.000	1	117.2860	0.000	1	117.2860	0.000	1	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[3x6]-4:C-4:	C[4x6]-4:O[6,6]-2:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[4x6]O[6,6]C[6])(CH3)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[4x6]O[6,6]C[6])(CH3)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OC){1|C<3>,4|C<4>,5|H<1>}	C(OC[3x6])(H)3	116.1920	0.000	1	116.1920	0.000	1	116.1920	0.000	1	116.1920	0.000	1	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[3x6]-4:C-4:	C[5x6]-4:C[6,6]-3:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[5x6]C[6,6]O[6])(CH3)	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]C)(O[6]C[6])(OC)	C(OC[3x6])(H)3	O(C[3x6]C[5x6]C[6,6]O[6])(CH3)	C[3x6](C[5x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]C)(O[6]C[6])(OC){2|C<3>,3|C<4>,5|H<1>}	C(OC[3x6])(H)3	116.3530	0.000	1	116.3530	0.000	1	116.3530	0.000	1	116.3530	0.000	1	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:3:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[5,6,6]HH)(C[6,6]C[5,6,6]O)(C[6,6]C[3x6]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(OC[3x6])(H)3	115.9210	0.000	1	115.9210	0.000	1	115.9210	0.000	1	115.9210	0.000	1	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6])(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6])(OC){1|C<4>,2|C<2>,3|H<1>}	C(OC[3x6])(H)3	115.5540	0.000	1	115.5540	0.000	1	115.5540	0.000	1	116.7013	2.208	15	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:N[6,6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6]2N[6,6])(CH3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]2N[6,6])(CH3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC){1|C<4>,1|O<2>,3|H<1>}	C(OC[3x6])(H)3	116.7550	1.698	3	116.7550	2.883	3	116.7550	2.883	3	116.7013	2.208	15	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6]2O[6,6])(CH3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]2O[6,6])(CH3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[3x6])(OC){2|C<3>,2|C<4>,3|H<1>}	C(OC[3x6])(H)3	115.5380	0.211	3	115.5380	0.045	3	116.7909	2.373	11	116.7013	2.208	15	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6]2O[6,6])(CH3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]2O[6,6])(CH3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC){1|C<3>,3|C<4>,3|H<1>}	C(OC[3x6])(H)3	116.8845	0.429	2	117.2608	2.453	8	116.7909	2.373	11	116.7013	2.208	15	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6]2O[6,6])(CH3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]2O[6,6])(CH3)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[6,6]HH)(O[6,6]C[4x6])(OC){2|C<3>,2|C<4>,3|H<1>}	C(OC[3x6])(H)3	117.3862	1.822	6	117.2608	2.453	8	116.7909	2.373	11	116.7013	2.208	15	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]C)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]C)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C(OC[3x6])(H)3	117.7960	0.000	1	117.7960	0.000	1	116.8114	1.054	14	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C(OC[3x6])(H)3	116.4335	0.279	2	116.4335	0.078	2	116.8114	1.054	14	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C(OC[3x6])(H)3	117.6470	0.000	1	117.6470	0.000	1	116.8114	1.054	14	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]ClH)(C[6,6]C[6,6]H)(OC){2|C<3>,2|C<4>,3|H<1>}	C(OC[3x6])(H)3	116.8795	0.817	2	116.8795	0.667	2	116.8114	1.054	14	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C(OC[3x6])(H)3	117.1630	0.000	1	116.4910	0.379	3	116.8114	1.054	14	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C(OC[3x6])(H)3	115.9550	0.000	1	116.4910	0.379	3	116.8114	1.054	14	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C(OC[3x6])(H)3	116.3550	0.000	1	116.4910	0.379	3	116.8114	1.054	14	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(OC[3x6])(H)3	116.0770	0.462	2	116.0770	0.214	2	116.8114	1.054	14	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C(OC[3x6])(H)3	119.5460	0.000	1	119.5460	0.000	1	116.8114	1.054	14	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[6,6]S[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[6,6]S[5]2)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){3|C<4>,5|H<1>}	C(OC[3x6])(H)3	116.0585	0.155	2	116.0585	0.024	2	116.8114	1.054	14	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,1|C<4>,4|H<1>}	C(OC[3x6])(H)3	116.5050	0.000	1	116.5050	0.000	1	115.9616	5.027	10	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(C[6,6]C[6,6]H)(OC){1|C<4>,1|O<2>,3|H<1>}	C(OC[3x6])(H)3	109.9500	0.000	1	109.9500	0.000	1	115.9616	5.027	10	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)(OC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(OC[3x6])(H)3	118.1540	0.000	1	118.1540	0.000	1	115.9616	5.027	10	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[3]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[3]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,3|H<1>,4|C<4>}	C(OC[3x6])(H)3	117.2850	0.000	1	117.2850	0.000	1	115.9616	5.027	10	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3,3x6]HH)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3,3x6]HH)(C[6,6]C[6,6]H)(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(OC[3x6])(H)3	116.0850	0.000	1	116.0850	0.000	1	115.9616	5.027	10	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|H<1>,2|C<4>,4|C<3>}	C(OC[3x6])(H)3	116.2390	0.000	1	116.1562	0.325	4	115.9616	5.027	10	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){2|C<4>,2|H<1>,3|C<3>}	C(OC[3x6])(H)3	116.1287	0.695	3	116.1562	0.325	4	115.9616	5.027	10	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[6,6]3)(CH3)	C[3x6](C[6,6]N[5,6,6]HH)(C[6,6]C[3x6]HH)(C[6,6]C[6,6]H)(OC){1|C<3>,2|C<4>,2|H<1>}	C(OC[3x6])(H)3	117.0120	0.000	1	117.0120	0.000	1	115.9616	5.027	10	116.4573	2.746	24	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(OC){2|C<3>,2|C<4>,4|H<1>}	C(OC[3x6])(H)3	117.1650	0.000	1	117.1650	0.000	1	117.4627	1.692	6	117.4627	1.692	6	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,4x6]O[5]H)(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HO)(OC){2|C<3>,2|C<4>,4|H<1>}	C(OC[3x6])(H)3	117.7150	1.593	4	117.7150	2.536	4	117.4627	1.692	6	117.4627	1.692	6	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[3x6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC)	C(OC[3x6])(H)3	O(C[3x6]C[5,6,6]C[6,6]2)(CH3)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]N[5,6,6]C[6a]H)(C[6,6]C[3x6]HH)(OC){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C(OC[3x6])(H)3	116.7510	0.000	1	116.7510	0.000	1	117.4627	1.692	6	117.4627	1.692	6	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[3x6]	C	4:4:	4:4:4:2:	2:2:1:1:	C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:C-2:H-1:H-1:	O(C[3x6]C[6,6]3)(CCHH)	C[3x6](C[6,6]C[3x6]HH)3(OC)	C(OC[3x6])(CC)(H)2	O(C[3x6]C[6,6]3)(CCHH)	C[3x6](C[6,6]C[3x6]HH)3(OC){3|C<4>,3|H<1>}	C(OC[3x6])(CC)(H)2	115.2810	0.000	1	115.2810	0.000	1	115.2810	0.000	1	115.2810	0.000	1	116.6610	2.117	55	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	2:4:4:2:	2:1:1:1:	C[6,6]-4:C-4:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]O[6,6]C[6]2)(CH3)	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OC)	C(OC[6,6])(H)3	O(C[6,6]O[6,6]C[6]2)(CH3)	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OC){1|O<2>,2|C<4>,4|H<1>}	C(OC[6,6])(H)3	117.7270	0.000	1	117.7270	0.000	1	117.7270	0.000	1	117.7270	0.000	1	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	3:2:3:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6,6a]-3:O[6]-2:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6,6a]C[6]O[6])(CH3)	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6,6a]C[6]O[6])(CH3)	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC){1|H<1>,5|C<3>}	C(OC[6,6])(H)3	115.5765	0.736	2	115.5765	0.542	2	115.5765	0.542	2	115.5765	0.542	2	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	3:3:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6a]C[6,6]O[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6a]C[6,6]O[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC){1|O<1>,2|H<1>,5|C<3>}	C(OC[6,6])(H)3	116.4970	0.209	2	116.4970	0.044	2	116.4970	0.044	2	116.4970	0.044	2	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C(OC[6,6])(H)3	116.0040	0.000	1	116.0040	0.000	1	115.0070	0.397	6	115.0014	0.331	7	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C(OC[6,6])(H)3	114.4960	0.000	1	114.8076	0.197	5	115.0070	0.397	6	115.0014	0.331	7	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,6|C<3>}	C(OC[6,6])(H)3	114.5270	0.000	1	114.8076	0.197	5	115.0070	0.397	6	115.0014	0.331	7	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C(OC[6,6])(H)3	114.7185	0.069	2	114.8076	0.197	5	115.0070	0.397	6	115.0014	0.331	7	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|O<2>,7|C<3>}	C(OC[6,6])(H)3	115.5780	0.000	1	114.8076	0.197	5	115.0070	0.397	6	115.0014	0.331	7	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6,6]-4:C-4:	N[6]-3:C[6,6]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]C[6]N[6])(CH3)	C[6,6](N[6]C[6,6a]C)(C[6,6]N[6]2)(C[6]N[6]O)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]N[6])(CH3)	C[6,6](N[6]C[6,6a]C)(C[6,6]N[6]2)(C[6]N[6]O)(OC){2|C<4>,3|C<3>}	C(OC[6,6])(H)3	114.9680	0.000	1	114.9680	0.000	1	114.9680	0.000	1	115.0014	0.331	7	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	3:3:3:2:	2:4:1:1:	C[6,6]-4:C-4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	O-2:C-4:H-1:H-1:	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CCHH)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC)	C(OC[6,6])(CClHH)(H)2	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CCHH)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C(OC[6,6])(CClHH)(H)2	114.8800	0.000	1	114.8800	0.000	1	114.8800	0.000	1	114.8800	0.000	1	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	3:3:4:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6a]2C[6,6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6a]C[6]2)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6a]2C[6,6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6a]C[6]2)(OC){4|H<1>,8|C<3>}	C(OC[6,6])(H)3	118.4770	0.000	1	118.4770	0.000	1	118.4770	0.000	1	118.4770	0.000	1	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	3:4:3:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,2|S<4>,3|C<3>,4|H<1>}	C(OC[6,6])(H)3	116.6350	0.000	1	116.1663	0.165	3	116.1663	0.165	3	116.1663	0.165	3	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	3:4:3:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,4|C<3>,5|H<1>}	C(OC[6,6])(H)3	115.9320	0.034	2	116.1663	0.165	3	116.1663	0.165	3	116.1663	0.165	3	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	3:4:4:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC){3|C<3>,3|C<4>,4|H<1>}	C(OC[6,6])(H)3	116.2590	0.038	2	116.2590	0.001	2	116.2590	0.001	2	116.2590	0.001	2	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]O[6,6]H)(CH3)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(OC)(H)	C(OC[6,6])(H)3	O(C[6,6]C[3x6]O[6,6]H)(CH3)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(OC)(H){1|C<3>,2|C<4>,3|H<1>}	C(OC[6,6])(H)3	111.8080	0.000	1	111.8080	0.000	1	115.6480	29.491	2	114.0482	13.294	4	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]O[6,6]H)(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(OC)(H)	C(OC[6,6])(H)3	O(C[6,6]C[3x6]O[6,6]H)(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(OC)(H){1|S<4>,2|C<4>,2|H<1>}	C(OC[6,6])(H)3	119.4880	0.000	1	119.4880	0.000	1	115.6480	29.491	2	114.0482	13.294	4	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6,6]-4:C-4:	C[4x6]-4:O[6,6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6,6]C[4x6]O[6,6]H)(CH3)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H)	C(OC[6,6])(H)3	O(C[6,6]C[4x6]O[6,6]H)(CH3)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H){1|C<3>,4|C<4>,4|H<1>}	C(OC[6,6])(H)3	112.7270	0.000	1	112.4485	0.155	2	112.4485	0.155	2	114.0482	13.294	4	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6,6]-4:C-4:	C[4x6]-4:O[6,6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6,6]C[4x6]O[6,6]H)(CH3)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H)	C(OC[6,6])(H)3	O(C[6,6]C[4x6]O[6,6]H)(CH3)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H){1|O<2>,4|H<1>,5|C<4>}	C(OC[6,6])(H)3	112.1700	0.000	1	112.4485	0.155	2	112.4485	0.155	2	114.0482	13.294	4	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6,6]-4:C-4:	C[5,3x6]-4:O[6,6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6,6]C[5,3x6]O[6,6]H)(CCHH)	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H)	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[5,3x6]O[6,6]H)(CCHH)	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C(OC[6,6])(CH3)(H)2	114.3170	0.000	1	114.3170	0.000	1	114.3170	0.000	1	114.3170	0.000	1	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:2:2:2:	2:4:1:1:	C[6,6]-4:C-4:	C[6,6]-4:O[6]-2:O[6]-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6,6]C[6,6]O[6]2)(CCHH)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])2(OC)	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[6,6]O[6]2)(CCHH)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])2(OC){1|C<4>,4|C<3>}	C(OC[6,6])(CH3)(H)2	115.8990	0.000	1	115.8990	0.000	1	115.8990	0.000	1	115.8990	0.000	1	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:2:3:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:O[6]-2:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]C[6]O[6])(CH3)	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]H)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]O[6])(CH3)	C[6,6](C[6,6]C[3x6]HH)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C(OC[6,6])(H)3	115.5340	0.000	1	115.5340	0.000	1	115.5340	0.000	1	115.5340	0.000	1	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]C[6]O[6])(CH3)	C[6,6](C[6,6]O[6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]O[6])(CH3)	C[6,6](C[6,6]O[6]2H)(O[6]C[6,6a])(C[6]C[6]HO)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(OC[6,6])(H)3	117.2975	0.364	2	117.2975	0.133	2	117.2975	0.133	2	117.2975	0.133	2	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(OC)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(OC[6,6])(H)3	115.3695	0.269	2	115.3695	0.073	2	116.1614	1.053	32	116.2018	1.041	43	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(OC)2{1|C<4>,2|C<3>,3|H<1>}	C(OC[6,6])(H)3	117.9365	0.975	2	117.9365	0.951	2	116.1614	1.053	32	116.2018	1.041	43	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C(OC[6,6])(H)3	116.0825	0.508	2	115.9623	0.617	6	116.1614	1.053	32	116.2018	1.041	43	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|C<4>,2|H<1>,3|C<3>}	C(OC[6,6])(H)3	115.6425	0.511	2	115.9623	0.617	6	116.1614	1.053	32	116.2018	1.041	43	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|I<1>,2|C<3>,2|H<1>}	C(OC[6,6])(H)3	116.1620	1.500	2	115.9623	0.617	6	116.1614	1.053	32	116.2018	1.041	43	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2{1|C<3>,2|C<4>,3|H<1>}	C(OC[6,6])(H)3	116.1319	1.109	12	116.1229	1.082	14	116.1614	1.053	32	116.2018	1.041	43	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2{1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C(OC[6,6])(H)3	116.0690	0.724	2	116.1229	1.082	14	116.1614	1.053	32	116.2018	1.041	43	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2{3|C<4>,4|H<1>}	C(OC[6,6])(H)3	116.1398	1.076	6	116.1398	1.157	6	116.1614	1.053	32	116.2018	1.041	43	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(OC)2{1|O<2>,2|C<3>,2|H<1>}	C(OC[6,6])(H)3	116.1095	0.919	2	116.1095	0.844	2	116.1614	1.053	32	116.2018	1.041	43	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[5,3x6]-4:C[6,6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[5,3x6]C[6,6]O)(CH3)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[5,3x6]C[6,6]O)(CH3)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(OC)2{2|C<4>,3|C<3>,3|H<1>}	C(OC[6,6])(H)3	117.2535	0.953	4	117.2535	0.909	4	117.2535	0.909	4	116.2018	1.041	43	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[5,4x6]-4:C[6,6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[5,4x6]C[6,6]O)(CH3)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]O)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[5,4x6]C[6,6]O)(CH3)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]O)(OC)2{1|C<3>,4|C<4>,4|H<1>}	C(OC[6,6])(H)3	115.9540	1.505	2	115.9540	2.264	2	115.9540	2.264	2	116.2018	1.041	43	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[5,6,6]-4:C[6]-3:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[5,6,6]C[6]O[6])(CH3)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]H)(O[6]C[6])(OC)	C(OC[6,6])(H)3	O(C[6,6]C[5,6,6]C[6]O[6])(CH3)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]H)(O[6]C[6])(OC){2|C<4>,2|H<1>,4|C<3>}	C(OC[6,6])(H)3	115.5390	0.000	1	115.5390	0.000	1	115.5390	0.000	1	116.2018	1.041	43	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6x6]-4:C[6,6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]C[6x6]O)(CH3)	C[6,6](C[6x6]C[4,5x6]C[6x6]H)(C[6,6]C[4,3x6]O)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6x6]O)(CH3)	C[6,6](C[6x6]C[4,5x6]C[6x6]H)(C[6,6]C[4,3x6]O)(OC)2{1|C<3>,2|H<1>,4|C<4>}	C(OC[6,6])(H)3	115.7627	0.318	4	115.7627	0.101	4	115.7627	0.101	4	116.2018	1.041	43	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:3:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]2C[6])(CH3)	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2C[6])(CH3)	C[6,6](C[6,6]O[6,6]C[6]C)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(OC[6,6])(H)3	115.6330	0.000	1	115.6330	0.000	1	115.8583	0.069	3	115.8583	0.069	3	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:3:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]2C[6])(CH3)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2C[6])(CH3)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(OC[6,6])(H)3	115.9710	0.250	2	115.9710	0.063	2	115.8583	0.069	3	115.8583	0.069	3	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:3:4:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C(OC[6,6])(H)3	116.7630	0.000	1	116.7630	0.000	1	116.7630	0.000	1	116.7630	0.000	1	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]2H)(CH3)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H)	C(OC[6,6])(H)3	O(C[6,6]C[3x6]2H)(CH3)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C(OC[6,6])(H)3	112.5475	0.197	2	112.5475	0.039	2	112.9556	0.558	5	113.2970	1.219	7	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]2H)(CH3)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H)	C(OC[6,6])(H)3	O(C[6,6]C[3x6]2H)(CH3)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C(OC[6,6])(H)3	112.5880	0.000	1	112.5880	0.000	1	112.9556	0.558	5	113.2970	1.219	7	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]2H)(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C(OC[6,6])(H)3	O(C[6,6]C[3x6]2H)(CH3)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(OC[6,6])(H)3	113.5475	1.012	2	113.5475	1.024	2	112.9556	0.558	5	113.2970	1.219	7	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[4x6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]C[4x6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H)	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[4x6]H)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H){1|H<1>,2|C<3>,6|C<4>}	C(OC[6,6])(H)3	115.3840	0.000	1	115.3840	0.000	1	115.3840	0.000	1	113.2970	1.219	7	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6,6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6,6]C[5,6,6]C[3x6]H)(CH3)	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H)	C(OC[6,6])(H)3	O(C[6,6]C[5,6,6]C[3x6]H)(CH3)	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H){4|C<4>,4|H<1>}	C(OC[6,6])(H)3	112.9170	0.000	1	112.9170	0.000	1	112.9170	0.000	1	113.2970	1.219	7	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>}	C(OC[6,6])(CH3)(H)2	115.0120	0.000	1	115.0120	0.000	1	112.5757	4.615	3	113.0712	4.059	4	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H)	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(OC[6,6])(CH3)(H)2	111.3575	0.571	2	111.3575	0.326	2	112.5757	4.615	3	113.0712	4.059	4	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6,6]-4:C-4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6,6]C[4x6]C[6,6]H)(CCHH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OC)(H)	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[4x6]C[6,6]H)(CCHH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(OC[6,6])(CH3)(H)2	114.5580	0.000	1	114.5580	0.000	1	114.5580	0.000	1	113.0712	4.059	4	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6,6]C[3x6]2H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[3x6]2H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){1|H<1>,2|O<2>,3|C<4>}	C(C[6a]C[6a]2)(OC[6,6])(H)2	111.8790	0.000	1	113.8592	1.800	6	113.8592	1.800	6	114.0816	2.466	10	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6,6]C[3x6]2H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[3x6]2H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6,6])(H)2	114.2552	1.036	5	113.8592	1.800	6	113.8592	1.800	6	114.0816	2.466	10	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6,6])(H)2	115.3190	0.000	1	115.3190	0.000	1	113.3980	7.380	2	114.0816	2.466	10	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6,6])(H)2	111.4770	0.000	1	111.4770	0.000	1	113.3980	7.380	2	114.0816	2.466	10	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6,6]C[6,6]2H)(CC[6a]HH)	C[6,6](C[6,6]C[6]O[6]H)2(OC)(H)	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[6,6]2H)(CC[6a]HH)	C[6,6](C[6,6]C[6]O[6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6,6])(H)2	115.4325	0.965	2	115.4325	0.932	2	115.4325	0.932	2	114.0816	2.466	10	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C(OC[6,6])(H)3	115.6245	1.602	2	115.6245	2.565	2	115.5648	0.617	8	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2{3|C<4>,4|H<1>}	C(OC[6,6])(H)3	115.5448	0.591	6	115.5448	0.349	6	115.5648	0.617	8	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[4,6,6]-4:C[5,6,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[4,6,6]C[5,6,6]O)(CH3)	C[6,6](C[4,6,6]C[4,6]O[4,6]H)(C[5,6,6]C[5,4x6]O[5]H)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[4,6,6]C[5,6,6]O)(CH3)	C[6,6](C[4,6,6]C[4,6]O[4,6]H)(C[5,6,6]C[5,4x6]O[5]H)(OC)2{2|C<3>,2|C<4>,2|H<1>}	C(OC[6,6])(H)3	115.3400	0.236	2	115.3400	0.056	2	115.3400	0.056	2	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[5,4x6]-4:C[3,6,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[3,6,6]C[5,4x6]O)(CH3)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[3,6,6]C[5,4x6]O)(CH3)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(OC)2{1|C<3>,4|C<4>,6|H<1>}	C(OC[6,6])(H)3	116.5360	1.472	2	116.5360	2.167	2	116.5360	2.167	2	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]2C)2(OC)(OH)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]2C)2(OC)(OH){2|C<3>,2|N<4>,6|H<1>}	C(OC[6,6])(H)3	119.8207	1.974	3	119.8207	3.896	3	116.4520	3.249	23	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]2H)2(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]2H)2(OC)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(OC[6,6])(H)3	115.4165	0.083	2	115.7798	0.554	6	116.4520	3.249	23	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]2H)2(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]2H)2(OC)2{4|C<3>,5|H<1>}	C(OC[6,6])(H)3	115.9615	0.888	4	115.7798	0.554	6	116.4520	3.249	23	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	C(OC[6,6])(H)3	116.6115	0.637	2	115.9728	0.592	6	116.4520	3.249	23	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{1|N<3>,2|C<3>,5|H<1>}	C(OC[6,6])(H)3	116.0230	0.665	2	115.9728	0.592	6	116.4520	3.249	23	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{3|H<1>,4|C<3>}	C(OC[6,6])(H)3	115.2840	0.585	2	115.9728	0.592	6	116.4520	3.249	23	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6]2H)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	C(OC[6,6])(H)3	118.0455	2.552	2	118.0455	6.512	2	116.4520	3.249	23	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	C(OC[6,6])(H)3	115.2295	0.346	4	115.3877	0.289	6	116.4520	3.249	23	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2{2|C<4>,3|C<3>,3|H<1>}	C(OC[6,6])(H)3	115.7040	0.887	2	115.3877	0.289	6	116.4520	3.249	23	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]C[6]O[6])(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]O[6])(CH3)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OC){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C(OC[6,6])(H)3	116.2290	0.000	1	116.2290	0.000	1	115.8782	0.123	5	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]C[6]O[6])(CH3)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]HH)(O[6]C[6,6a])(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]O[6])(CH3)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]HH)(O[6]C[6,6a])(OC){1|O<1>,4|C<3>}	C(OC[6,6])(H)3	115.7905	0.335	4	115.7905	0.112	4	115.8782	0.123	5	116.1514	2.188	40	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:4:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OC)2	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OC)2{3|C<3>,6|H<1>}	C(OC[6,6])(CH3)(H)2	117.6325	1.505	2	117.6325	2.266	2	116.4501	0.971	8	116.4501	0.971	8	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:4:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]2H)2(OC)2	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]2H)2(OC)2{2|N<3>,8|H<1>}	C(OC[6,6])(CH3)(H)2	116.5615	0.046	2	116.5615	0.002	2	116.4501	0.971	8	116.4501	0.971	8	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:4:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{3|C<3>,5|H<1>}	C(OC[6,6])(CH3)(H)2	115.8535	0.110	2	115.8535	0.012	2	116.4501	0.971	8	116.4501	0.971	8	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:2:2:	2:4:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(OC)2	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(OC)2{2|H<1>,4|C<3>}	C(OC[6,6])(CH3)(H)2	115.7530	0.092	2	115.7530	0.008	2	116.4501	0.971	8	116.4501	0.971	8	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){3|C<3>,5|H<1>}	C(OC[6,6])(H)3	116.3870	0.238	2	116.3870	0.056	2	116.3574	0.105	5	116.3574	0.105	5	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){3|C<3>,5|H<1>}	C(OC[6,6])(H)3	116.8270	0.000	1	116.8270	0.000	1	116.3574	0.105	5	116.3574	0.105	5	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,5|H<1>}	C(OC[6,6])(H)3	116.0930	0.000	2	116.0930	0.000	2	116.3574	0.105	5	116.3574	0.105	5	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]2C)(CH3)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]2C)(CH3)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(CH3)(OC){3|C<3>,3|H<1>}	C(OC[6,6])(H)3	116.6450	0.000	1	116.6450	0.000	1	116.6450	0.000	1	116.1175	0.557	2	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(OC)	C(OC[6,6])(H)3	O(C[6,6]C[6,6]C[6]2)(CH3)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,4|H<1>}	C(OC[6,6])(H)3	115.5900	0.000	1	115.5900	0.000	1	115.5900	0.000	1	116.1175	0.557	2	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:4:2:	2:4:1:1:	C[6,6]-4:C-4:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	O-2:C-4:H-1:H-1:	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCHH)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC)	C(OC[6,6])(CH3)(H)2	O(C[6,6]C[5,6,6]C[5,6]C[6])(CCHH)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(OC){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	C(OC[6,6])(CH3)(H)2	117.2530	0.000	1	117.2530	0.000	1	117.2530	0.000	1	116.5650	0.947	2	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:4:2:	2:4:1:1:	C[6,6]-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:C-4:H-1:H-1:	O(C[6,6]C[6,6]C[6]2)(CCHH)	C[6,6](C[6,6]C[6]2S)(C[6]C[6]HH)2(OC)	C(OC[6,6])(CCHO)(H)2	O(C[6,6]C[6,6]C[6]2)(CCHH)	C[6,6](C[6,6]C[6]2S)(C[6]C[6]HH)2(OC){2|C<4>,8|H<1>}	C(OC[6,6])(CCHO)(H)2	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	116.5650	0.947	2	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6,6]	C	4:4:	4:4:4:2:	3:2:1:1:	C[6,6]-4:C-4:	C[3x6]-4:C[6,6]-4:C-4:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[6,6]C[3x6]C[6,6]C)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC)	C(C[6a]C[6a]2)(OC[6,6])(H)2	O(C[6,6]C[3x6]C[6,6]C)(CC[6a]HH)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]C[6,6]H)(CCHH)(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6,6])(H)2	118.6480	0.841	2	118.6480	0.708	2	118.6480	0.708	2	118.6480	0.708	2	115.7877	2.590	155	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:2:2:1:	2:4:1:1:	C[6]-4:C-4:	O[6]-2:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]O[6]2H)(CCHH)	C[6](O[6]C[6])2(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]O[6]2H)(CCHH)	C[6](O[6]C[6])2(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CH3)(H)2	114.4300	0.000	1	114.4300	0.000	1	114.4300	0.000	1	114.4300	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:2:4:2:	2:1:1:1:	C[6]-4:C-4:	O[6]-2:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]O[6]2C)(CH3)	C[6](O[6]C[3x6])2(CH3)(OC)	C(OC[6])(H)3	O(C[6]O[6]2C)(CH3)	C[6](O[6]C[3x6])2(CH3)(OC){2|H<1>,3|C<4>}	C(OC[6])(H)3	115.0530	0.000	1	115.0530	0.000	1	115.0065	0.004	2	115.0065	0.004	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:2:4:2:	2:1:1:1:	C[6]-4:C-4:	O[6]-2:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]O[6]2C)(CH3)	C[6](O[6]C[6,6])2(CH3)(OC)	C(OC[6])(H)3	O(C[6]O[6]2C)(CH3)	C[6](O[6]C[6,6])2(CH3)(OC){1|C<3>,2|C<4>,2|H<1>}	C(OC[6])(H)3	114.9600	0.000	1	114.9600	0.000	1	115.0065	0.004	2	115.0065	0.004	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:3:2:1:	2:1:1:1:	C[6]-4:C-4:	O[6]-2:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<1>,2|C<3>}	C(OC[6])(H)3	113.0790	0.000	1	113.3685	0.149	4	113.3685	0.149	4	113.3685	0.149	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:3:2:1:	2:1:1:1:	C[6]-4:C-4:	O[6]-2:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<2>,2|C<3>}	C(OC[6])(H)3	113.4650	0.409	3	113.3685	0.149	4	113.3685	0.149	4	113.3685	0.149	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:3:2:1:	3:3:2:1:	C[6]-4:C-4:	O[6]-2:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:H-1:	O(C[6]C[6]O[6]H)(CC[6a]2H)	C[6](O[6]C[5,6])(C[6]N[6]C)(OC)(H)	C(C[6a]C[6a]2)2(OC[6])(H)	O(C[6]C[6]O[6]H)(CC[6a]2H)	C[6](O[6]C[5,6])(C[6]N[6]C)(OC)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)2(OC[6])(H)	112.9280	0.000	1	112.9280	0.000	1	112.9280	0.000	1	112.9280	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:3:4:2:	2:4:1:1:	C[6]-4:C-4:	O[6]-2:C[6]-3:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]C)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OC)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]C)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OC){1|H<1>,2|C<3>}	C(OC[6])(CH3)(H)2	117.3140	0.000	1	117.3140	0.000	1	117.3140	0.000	1	117.3140	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:4:2:1:	2:1:1:1:	C[6]-4:C-4:	O[6]-2:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H){1|O<1>,2|C<3>}	C(OC[6])(H)3	113.3897	0.496	3	113.3897	0.246	3	113.3897	0.246	3	113.3897	0.246	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:4:2:1:	2:4:1:1:	C[6]-4:C-4:	O[6]-2:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCCH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C(OC[6])(CCCH)(H)2	115.5070	0.000	1	115.5070	0.000	1	115.6181	3.110	8	115.6181	3.110	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:4:2:1:	2:4:1:1:	C[6]-4:C-4:	O[6]-2:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<3>}	C(OC[6])(CCHH)(H)2	113.4180	0.000	1	113.4180	0.000	1	115.6181	3.110	8	115.6181	3.110	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:4:2:1:	2:4:1:1:	C[6]-4:C-4:	O[6]-2:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>}	C(OC[6])(CCHH)(H)2	117.8840	1.079	2	117.8840	1.164	2	115.6181	3.110	8	115.6181	3.110	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:4:2:1:	2:4:1:1:	C[6]-4:C-4:	O[6]-2:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	C(OC[6])(CH3)(H)2	115.5983	0.636	3	115.5983	0.405	3	115.6181	3.110	8	115.6181	3.110	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:4:2:1:	2:4:1:1:	C[6]-4:C-4:	O[6]-2:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(OC)(H)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(OC)(H){1|H<1>,2|C<3>}	C(OC[6])(CCHH)(H)2	113.4570	0.000	1	113.4570	0.000	1	115.6181	3.110	8	115.6181	3.110	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:4:2:2:	2:1:1:1:	C[6]-4:C-4:	O[6]-2:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]O)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(OC)2	C(OC[6])(H)3	O(C[6]C[6]O[6]O)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(OC)2{1|H<1>,3|C<3>}	C(OC[6])(H)3	118.7225	2.597	2	118.7225	6.745	2	118.7225	6.745	2	118.7225	6.745	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:4:3:2:	2:1:1:1:	C[6]-4:C-4:	O[6]-2:C[6]-4:C[5]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5]C[6]O[6])(CH3)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(OC)	C(OC[6])(H)3	O(C[6]C[5]C[6]O[6])(CH3)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(C[5]N[5]2)(OC){1|H<1>,2|C<3>,2|C<4>}	C(OC[6])(H)3	115.7760	0.000	1	115.7760	0.000	1	115.7760	0.000	1	115.7760	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:4:4:2:	2:1:1:1:	C[6]-4:C-4:	O[6]-2:C[6]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C(OC[6])(H)3	116.2197	0.397	3	116.2197	0.158	3	116.2197	0.158	3	116.2197	0.158	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	2:4:4:2:	2:4:1:1:	C[6]-4:C-4:	O[6]-2:C[6]-4:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]C)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]O[6]C)(CCHH)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CH3)(OC){2|C<3>,2|H<1>}	C(OC[6])(CCHH)(H)2	119.3640	0.000	1	119.3640	0.000	1	119.3640	0.000	1	119.3640	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-3:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C(OC[6])(H)3	113.6740	0.000	2	113.2863	0.451	3	113.2863	0.451	3	113.3849	0.356	11	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-3:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(OC[6])(H)3	112.5110	0.000	1	113.2863	0.451	3	113.2863	0.451	3	113.3849	0.356	11	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5a,6]-3:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5a,6]O[6]H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[5a,6]O[6]H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6])(OC)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(OC[6])(H)3	113.0890	0.000	1	113.0890	0.000	1	113.0890	0.000	1	113.3849	0.356	11	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-3:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,4|C<4>}	C(OC[6])(H)3	113.0050	0.000	1	113.0050	0.000	1	113.3535	0.243	2	113.3849	0.356	11	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-3:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H){1|C<4>,1|O<1>,3|C<3>}	C(OC[6])(H)3	113.7020	0.000	1	113.7020	0.000	1	113.3535	0.243	2	113.3849	0.356	11	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]O[6]H)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]O[6]H)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H){1|H<1>,4|C<3>}	C(OC[6])(H)3	113.4905	0.097	2	113.4905	0.009	2	113.4905	0.009	2	113.3849	0.356	11	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(H)3	112.8560	0.000	1	112.8560	0.000	1	113.5327	1.099	3	113.3849	0.356	11	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|Ni<4>,1|C<3>,1|H<1>,1|O<2>}	C(OC[6])(H)3	113.8710	1.229	2	113.8710	1.510	2	113.5327	1.099	3	113.3849	0.356	11	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6,6]-3:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6,6]O[6]H)(CCHH)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6,6]O[6]H)(CCHH)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H){1|C<4>,1|O<2>,4|C<3>}	C(OC[6])(CH3)(H)2	113.5150	0.000	1	113.5150	0.000	1	113.5150	0.000	1	113.3610	2.691	10	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6,6a]O[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	C(OC[6])(CCHH)(H)2	O(C[6]C[6,6a]O[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C(OC[6])(CCHH)(H)2	114.6407	1.388	4	114.6407	1.926	4	114.6407	1.926	4	113.3610	2.691	10	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-3:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	C(OC[6])(CH3)(H)2	113.1670	0.000	1	113.1670	0.000	1	112.3064	1.576	5	113.3610	2.691	10	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-3:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|C<4>,3|H<1>}	C(OC[6])(CCHH)(H)2	112.4995	0.078	2	112.4995	0.006	2	112.3064	1.576	5	113.3610	2.691	10	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-3:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|C<3>,2|H<1>}	C(OC[6])(CH3)(H)2	111.6830	2.169	2	111.6830	4.706	2	112.3064	1.576	5	113.3610	2.691	10	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:4:4:1:	C[6]-4:C-4:	C[5a,6]-3:O[6]-2:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[5a,6]O[6]H)(CCCH)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(OC)(H)	C(OC[6])(CH3)2(H)	O(C[6]C[5a,6]O[6]H)(CCCH)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(OC[6])(CH3)2(H)	114.2900	0.000	1	114.2900	0.000	1	114.2900	0.000	1	113.9165	0.279	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	2:4:4:1:	C[6]-4:C-4:	C[6]-3:O[6]-2:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)2(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|H<1>,3|C<4>}	C(OC[6])(CH3)2(H)	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	113.9165	0.279	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-3:O[6]-2:O-2:H-1:	C-3:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<1>}	C(CC[6a]C)(OC[6])(H)2	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	3:3:2:1:	C[6]-4:C-4:	C[6]-3:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:H-1:	O(C[6]C[6]O[6]H)(CC[6a]2H)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)2(OC[6])(H)	O(C[6]C[6]O[6]H)(CC[6a]2H)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|Ni<4>,1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)2(OC[6])(H)	114.3315	1.421	2	114.3315	2.018	2	114.3315	2.018	2	114.3315	2.018	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	3:4:2:1:	C[6]-4:C-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	O(C[6]C[6,6a]O[6]H)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	O(C[6]C[6,6a]O[6]H)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	113.2485	0.416	2	113.2485	0.173	2	113.2485	0.173	2	113.2485	0.173	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[6]C[6,6a]O[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	C(CC[6]HH)(OC[6])(H)2	O(C[6]C[6,6a]O[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C(CC[6]HH)(OC[6])(H)2	113.4485	0.821	2	113.4485	0.674	2	113.4485	0.674	2	113.4485	0.674	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:1:	4:2:4:1:	C[6]-4:C-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[5]-4:O-2:C-4:H-1:	O(C[6]C[6,6a]O[6]H)(CC[5]CH)	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H)	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	O(C[6]C[6,6a]O[6]H)(CC[5]CH)	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	116.6685	0.037	2	116.6685	0.001	2	116.6685	0.001	2	116.6685	0.001	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:S[6]-2:O-2:S-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]S[6]S)(CH3)	C[6](C[6]C[6,6a]N)(S[6]C[6])(OC)(SC)	C(OC[6])(H)3	O(C[6]C[6]S[6]S)(CH3)	C[6](C[6]C[6,6a]N)(S[6]C[6])(OC)(SC){2|C<3>,2|H<1>}	C(OC[6])(H)3	115.5310	0.000	1	115.5310	0.000	1	115.5310	0.000	1	116.1303	0.745	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6a]-3:S[6]-2:S[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]S[6]2)(CH3)	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(S[6]C[6])(OC)	C(OC[6])(H)3	O(C[6]C[6a]S[6]2)(CH3)	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(S[6]C[6])(OC){1|S<1>,2|H<1>,4|C<3>}	C(OC[6])(H)3	115.9680	0.984	2	115.9680	0.969	2	116.3300	0.878	3	116.1303	0.745	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6a]-3:S[6]-2:S[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]S[6]2)(CH3)	C[6](C[6a]C[6a]2)(S[6]C[6])2(OC)	C(OC[6])(H)3	O(C[6]C[6a]S[6]2)(CH3)	C[6](C[6a]C[6a]2)(S[6]C[6])2(OC){2|H<1>,2|S<2>,3|C<3>}	C(OC[6])(H)3	117.0540	0.000	1	117.0540	0.000	1	116.3300	0.878	3	116.1303	0.745	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:O[6]-2:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6])(H)3	115.7790	0.000	1	115.7790	0.000	1	115.7790	0.000	1	115.7790	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:3:2:	2:4:1:1:	C[6]-4:C-4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6a]C[6]O[6])(CCHH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC)	C(OC[6])(CH3)(H)2	O(C[6]C[6a]C[6]O[6])(CCHH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC){2|H<1>,5|C<3>}	C(OC[6])(CH3)(H)2	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	115.1040	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:3:2:	2:4:4:1:	C[6]-4:C-4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	O-2:C-4:C-4:H-1:	O(C[6]C[6a]C[6]O[6])(CCCH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	C(OC[6])(CCHH)(CH3)(H)	O(C[6]C[6a]C[6]O[6])(CCCH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	C(OC[6])(CCHH)(CH3)(H)	117.2147	0.560	3	117.2147	0.313	3	117.2147	0.313	3	117.2147	0.313	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC)	C(OC[6])(H)3	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC){1|O<2>,3|H<1>,4|C<3>}	C(OC[6])(H)3	115.3320	0.870	2	115.1960	0.434	3	115.1960	0.434	3	115.1960	0.434	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC)	C(OC[6])(H)3	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC){3|H<1>,5|C<3>}	C(OC[6])(H)3	114.9240	0.000	1	115.1960	0.434	3	115.1960	0.434	3	115.1960	0.434	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5a,6]-3:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C(OC[6])(H)3	113.8160	0.000	1	113.8160	0.000	1	113.8160	0.000	1	113.5354	1.532	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H){1|O<2>,4|C<3>}	C(OC[6])(H)3	112.0980	1.344	2	112.0980	1.805	2	113.4235	3.030	4	113.5354	1.532	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>}	C(OC[6])(H)3	115.1080	0.000	1	115.1080	0.000	1	113.4235	3.030	4	113.5354	1.532	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H){1|H<1>,1|O<2>,3|C<3>}	C(OC[6])(H)3	114.3900	0.000	1	114.3900	0.000	1	113.4235	3.030	4	113.5354	1.532	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:N[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H){1|C<4>,1|N<2>,2|C<3>}	C(OC[6])(H)3	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	113.5354	1.532	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:1:	2:1:1:1:	C[6]-4:C-4:	N[5a,6]-3:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]N[5a,6]C[6]H)(CH3)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]N[5a,6]C[6]H)(CH3)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C(OC[6])(H)3	114.4070	0.000	1	114.4070	0.000	1	114.4070	0.000	1	113.5354	1.532	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:1:	2:1:1:1:	C[6]-4:C-4:	N[6]-3:N[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]N[6]2H)(CH3)	C[6](N[6]C[6a]N[6])2(OC)(H)	C(OC[6])(H)3	O(C[6]N[6]2H)(CH3)	C[6](N[6]C[6a]N[6])2(OC)(H){1|N<2>,5|C<3>}	C(OC[6])(H)3	112.6830	0.000	1	112.6830	0.000	1	112.6830	0.000	1	113.5354	1.532	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-3:N[6]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H){1|C<4>,1|N<2>,2|C<3>}	C(OC[6])(CH3)(H)2	115.4640	0.000	1	115.4640	0.000	1	114.8870	0.666	2	114.8870	0.666	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-3:N[6]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H)	C(OC[6])(CHHO)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H){1|C<4>,1|N<2>,2|C<3>}	C(OC[6])(CHHO)(H)2	114.3100	0.000	1	114.3100	0.000	1	114.8870	0.666	2	114.8870	0.666	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C-3:O-2:H-1:H-1:	O(C[6]C[6,6a]N[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[6,6a]N[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(CC[6a]C)(OC[6])(H)2	114.1315	0.170	2	114.1315	0.029	2	114.1315	0.029	2	114.3977	0.227	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-3:N[6]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]N[6]H)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]N[6]H)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.9300	0.000	1	114.9300	0.000	1	114.9300	0.000	1	114.3977	0.227	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[3]-4:O-2:H-1:H-1:	O(C[6]C[6,6a]N[6]H)(CC[3]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	C(C[3]C[6a]C[3]O[3])(OC[6])(H)2	O(C[6]C[6,6a]N[6]H)(CC[3]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[3]C[6a]C[3]O[3])(OC[6])(H)2	114.3345	1.013	2	114.3345	1.027	2	114.3345	1.027	2	114.3345	1.027	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[5a,6]-3:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5a,6]C[6]O)(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(OC)2	C(OC[6])(H)3	O(C[6]C[5a,6]C[6]O)(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(OC)2{1|H<1>,1|N<2>,2|C<3>}	C(OC[6])(H)3	115.4900	0.293	4	115.4900	0.086	4	115.5293	1.364	6	115.4703	1.353	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[5a,6]-3:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5a,6]C[6]O)(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O)(OC)2	C(OC[6])(H)3	O(C[6]C[5a,6]C[6]O)(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O)(OC)2{1|H<1>,1|N<2>,2|C<3>}	C(OC[6])(H)3	115.6080	2.558	2	115.6080	6.545	2	115.5293	1.364	6	115.4703	1.353	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-3:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(OC)2	C(OC[6])(H)3	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(OC)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(OC[6])(H)3	115.3580	1.017	2	115.3580	1.034	2	115.3580	1.034	2	115.4703	1.353	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]2C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OC)	C(OC[6])(H)3	O(C[6]C[6,6a]2C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OC){1|C<4>,2|H<1>,4|C<3>}	C(OC[6])(H)3	113.6850	0.341	2	113.6850	0.116	2	113.6850	0.116	2	115.4703	1.353	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6,6a]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]2O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(OC)2	C(OC[6])(H)3	O(C[6]C[6,6a]2O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(OC)2{1|C<4>,2|H<1>,4|C<3>}	C(OC[6])(H)3	115.1830	0.503	2	115.1830	0.253	2	115.1830	0.253	2	115.4703	1.353	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(OC)2	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(OC)2{1|H<1>,4|C<3>}	C(OC[6])(H)3	116.2262	2.355	4	116.2262	5.544	4	116.2389	2.843	8	115.4703	1.353	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(OC)2	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(OC)2{1|H<1>,4|C<3>}	C(OC[6])(H)3	116.8335	0.699	2	116.8335	0.489	2	116.2389	2.843	8	115.4703	1.353	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)2	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)2{2|H<1>,3|C<3>}	C(OC[6])(H)3	115.6695	1.194	2	115.6695	1.426	2	116.2389	2.843	8	115.4703	1.353	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-3:C-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]H)2(CC)(OC)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]H)2(CC)(OC){1|C<4>,2|H<1>}	C(OC[6])(H)3	114.7443	0.922	3	114.7443	0.850	3	114.7443	0.850	3	115.4703	1.353	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2{1|Br<1>,1|C<3>,1|C<4>}	C(OC[6])(H)3	115.8055	1.668	2	115.4287	0.480	10	115.4730	0.579	16	115.4703	1.353	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2{1|C<2>,1|C<4>,1|H<1>}	C(OC[6])(H)3	115.3345	0.411	8	115.4287	0.480	10	115.4730	0.579	16	115.4703	1.353	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)2{1|C<4>,1|H<1>,3|C<3>}	C(OC[6])(H)3	115.5468	0.929	6	115.5468	0.863	6	115.4730	0.579	16	115.4703	1.353	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:4:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-3:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)2	C(OC[6])(CF3)(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)2{1|C<3>,1|C<4>,1|H<1>}	C(OC[6])(CF3)(H)2	117.0730	0.479	2	117.0730	0.230	2	117.0730	0.230	2	117.0730	0.230	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:4:4:1:	C[6]-4:C-4:	C[6]-3:C[6a]-3:O[6]-2:O-2:	O-2:C-4:C-4:H-1:	O(C[6]C[6a]C[6]O[6])(CCCH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C(OC[6])(CCHH)(CH3)(H)	O(C[6]C[6a]C[6]O[6])(CCCH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){3|H<1>,6|C<3>}	C(OC[6])(CCHH)(CH3)(H)	117.4437	0.295	3	117.4437	0.087	3	117.0580	0.653	4	117.0580	0.653	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:2:2:	2:4:4:1:	C[6]-4:C-4:	C[6]-3:C[6a]-3:O[6]-2:O-2:	O-2:C-4:C-4:H-1:	O(C[6]C[6a]C[6]O[6])(CCCH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C(OC[6])(CHHN)(CH3)(H)	O(C[6]C[6a]C[6]O[6])(CCCH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){3|H<1>,6|C<3>}	C(OC[6])(CHHN)(CH3)(H)	115.9010	0.000	1	115.9010	0.000	1	117.0580	0.653	4	117.0580	0.653	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6]-4:C-4:	C[5,6,6]-3:C[6a]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6,6]C[6a]C[6])(CH3)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)(OC)	C(OC[6])(H)3	O(C[6]C[5,6,6]C[6a]C[6])(CH3)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)(OC){3|C<3>,3|C<4>,4|H<1>}	C(OC[6])(H)3	114.1255	0.366	2	114.1255	0.134	2	114.1255	0.134	2	114.7763	1.165	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]2C[6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C(OC[6])(H)3	O(C[6]C[6,6a]2C[6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,4|H<1>,6|C<3>}	C(OC[6])(H)3	116.2670	0.000	1	115.7240	0.590	2	115.7240	0.590	2	114.7763	1.165	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]2C[6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C(OC[6])(H)3	O(C[6]C[6,6a]2C[6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){2|O<2>,3|H<1>,6|C<3>}	C(OC[6])(H)3	115.1810	0.000	1	115.7240	0.590	2	115.7240	0.590	2	114.7763	1.165	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-3:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC){1|C<4>,2|C<3>,2|H<1>}	C(OC[6])(H)3	115.3980	0.000	1	115.3980	0.000	1	115.3980	0.000	1	114.7763	1.165	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6a]C[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6a]C[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC){1|C<4>,3|H<1>,5|C<3>}	C(OC[6])(H)3	115.6295	0.911	2	115.6295	0.831	2	115.6295	0.831	2	114.7763	1.165	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6a]-3:N[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]C[6]N[6])(CH3)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)(OC)	C(OC[6])(H)3	O(C[6]C[6a]C[6]N[6])(CH3)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)(OC){1|N<3>,1|S<1>,2|H<1>,4|C<3>}	C(OC[6])(H)3	114.3680	0.000	1	114.3680	0.000	1	114.3680	0.000	1	114.7763	1.165	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:N[6]-3:N[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]2)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)2(OC)	C(OC[6])(H)3	O(C[6]C[6]N[6]2)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)2(OC){1|H<1>,1|N<2>,4|C<3>}	C(OC[6])(H)3	114.3190	0.000	1	114.3190	0.000	1	114.3190	0.000	1	114.7763	1.165	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC)	C(OC[6])(H)3	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC){1|C<4>,2|C<3>,4|H<1>}	C(OC[6])(H)3	114.4714	1.008	26	114.4714	1.017	26	114.5318	1.076	27	114.7763	1.165	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(OC)	C(OC[6])(H)3	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(OC){1|O<2>,3|C<3>,3|H<1>}	C(OC[6])(H)3	116.1030	0.000	1	116.1030	0.000	1	114.5318	1.076	27	114.7763	1.165	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]N[6]2)(CH3)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)2(OC)	C(OC[6])(H)3	O(C[6]C[6a]N[6]2)(CH3)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)2(OC){1|H<1>,1|N<2>,4|C<3>}	C(OC[6])(H)3	116.6385	0.805	2	116.6385	0.649	2	116.6385	0.649	2	114.7763	1.165	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:3:2:	2:1:1:1:	C[6]-4:C-4:	N[6]-3:C[6a]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]C[6]N[6])(CH3)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC)	C(OC[6])(H)3	O(C[6]C[6a]C[6]N[6])(CH3)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC){1|Zn<4>,1|H<1>,1|N<3>,7|C<3>}	C(OC[6])(H)3	115.5960	0.000	1	115.5960	0.000	1	115.5960	0.000	1	114.7763	1.165	39	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:3:2:	2:4:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6,6a]2C[6a])(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C(OC[6])(CCHH)(H)2	O(C[6]C[6,6a]2C[6a])(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,3|H<1>,7|C<3>}	C(OC[6])(CCHH)(H)2	114.6410	0.000	1	114.6410	0.000	1	114.6410	0.000	1	114.6410	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:3:2:	4:2:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C-4:O-2:H-1:H-1:	O(C[6]C[6,6a]2C[6a])(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C(CN[6]CC)(OC[6])(H)2	O(C[6]C[6,6a]2C[6a])(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|N<3>,4|H<1>,6|C<3>}	C(CN[6]CC)(OC[6])(H)2	117.7030	0.000	1	117.7030	0.000	1	117.7030	0.000	1	117.7030	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]N[6]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC)	C(OC[6])(H)3	O(C[6]C[6,6a]N[6]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(OC[6])(H)3	114.8385	0.233	2	114.8385	0.054	2	116.1464	1.476	5	114.8402	2.636	13	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:N[6]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]N[6]C)(CH3)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC)	C(OC[6])(H)3	O(C[6]C[6,6a]N[6]C)(CH3)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC){1|C<4>,1|O<1>,2|C<3>}	C(OC[6])(H)3	117.0183	0.272	3	117.0183	0.074	3	116.1464	1.476	5	114.8402	2.636	13	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)(OC){1|Si<4>,1|C<3>,1|H<1>}	C(OC[6])(H)3	113.5890	0.000	1	113.5890	0.000	1	113.4368	0.712	6	114.8402	2.636	13	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]H)2(CCHH)(OC)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]H)2(CCHH)(OC){1|C<4>,2|H<1>}	C(OC[6])(H)3	113.4175	1.316	2	113.4175	1.732	2	113.4368	0.712	6	114.8402	2.636	13	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]H)2(CHHS)(OC)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]H)2(CHHS)(OC){1|C<4>,2|H<1>}	C(OC[6])(H)3	112.8555	0.173	2	112.8555	0.030	2	113.4368	0.712	6	114.8402	2.636	13	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]O)2(CC[6a]CH)(OC)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]O)2(CC[6a]CH)(OC){1|C<3>,2|H<1>}	C(OC[6])(H)3	114.4860	0.000	1	114.4860	0.000	1	113.4368	0.712	6	114.8402	2.636	13	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC)	C(OC[6])(H)3	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC){2|H<1>,4|C<3>}	C(OC[6])(H)3	115.6520	0.000	1	115.6520	0.000	1	115.6520	0.000	1	114.8402	2.636	13	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]C)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC)	C(OC[6])(H)3	O(C[6]C[6]N[6]C)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC){1|O<1>,2|C<4>}	C(OC[6])(H)3	115.9180	0.000	1	115.9180	0.000	1	115.9180	0.000	1	114.8402	2.636	13	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:4:2:	2:4:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6,6a]C[6]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC)	C(OC[6])(CCHH)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC){1|H<1>,4|C<3>}	C(OC[6])(CCHH)(H)2	118.5660	0.000	1	118.5660	0.000	1	117.9440	0.774	2	117.9440	0.774	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:4:2:	2:4:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6,6a]C[6]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC)	C(OC[6])(CHHO)(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC){1|H<1>,4|C<3>}	C(OC[6])(CHHO)(H)2	117.3220	0.000	1	117.3220	0.000	1	117.9440	0.774	2	117.9440	0.774	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:3:4:2:	4:2:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C-4:O-2:H-1:H-1:	O(C[6]C[6,6a]C[6]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC)	C(CC[6a]HH)(OC[6])(H)2	O(C[6]C[6,6a]C[6]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC){1|H<1>,4|C<3>}	C(CC[6a]HH)(OC[6])(H)2	116.8270	0.614	2	116.8270	0.377	2	116.8270	0.377	2	116.8270	0.377	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6,6]-3:C[6,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6,6]C[6,6]H)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[6,6]C[6]C)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6,6]C[6,6]H)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	C(OC[6])(H)3	116.4650	0.000	1	116.4650	0.000	1	116.4650	0.000	1	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H){1|C<4>,1|W<6>,2|H<1>,5|C<3>}	C(OC[6])(H)3	113.6490	0.000	1	113.6490	0.000	1	113.6490	0.000	1	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H){1|N<3>,3|C<3>}	C(OC[6])(H)3	112.9390	0.000	1	112.9390	0.000	1	112.5780	0.503	3	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(OC[6])(H)3	111.7610	0.000	1	111.7610	0.000	1	112.5780	0.503	3	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	C(OC[6])(H)3	113.0340	0.000	1	113.0340	0.000	1	112.5780	0.503	3	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	C(OC[6])(H)3	112.9540	0.000	1	112.9540	0.000	1	113.5520	0.299	3	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H){7|C<4>}	C(OC[6])(H)3	114.0270	0.000	1	114.0270	0.000	1	113.5520	0.299	3	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	C(OC[6])(H)3	113.6750	0.000	1	113.6750	0.000	1	113.5520	0.299	3	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[5,6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]C[5,6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C(OC[6])(H)3	116.2630	0.000	1	114.7210	2.697	3	114.7210	2.697	3	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[5,6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]C[5,6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){2|C<3>,3|C<4>,4|H<1>}	C(OC[6])(H)3	113.9500	1.352	2	114.7210	2.697	3	114.7210	2.697	3	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	C(OC[6])(H)3	113.7470	0.129	2	113.7470	0.017	2	113.5848	1.375	13	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C(OC[6])(H)3	114.2830	2.476	2	114.2830	6.132	2	113.5848	1.375	13	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	C(OC[6])(H)3	113.8850	0.000	1	113.4340	1.391	5	113.5848	1.375	13	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,3|C<3>}	C(OC[6])(H)3	115.2350	0.000	1	113.4340	1.391	5	113.5848	1.375	13	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	C(OC[6])(H)3	112.4310	0.212	2	113.4340	1.391	5	113.5848	1.375	13	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	C(OC[6])(H)3	113.1880	0.000	1	113.4340	1.391	5	113.5848	1.375	13	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|I<1>,1|O<2>,3|C<3>}	C(OC[6])(H)3	114.3860	0.000	1	113.6845	0.984	2	113.5848	1.375	13	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C(OC[6])(H)3	112.9830	0.000	1	113.6845	0.984	2	113.5848	1.375	13	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C(OC[6])(H)3	112.0120	0.000	1	112.0120	0.000	1	113.5848	1.375	13	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	C(OC[6])(H)3	113.9910	0.000	1	113.9910	0.000	1	113.5848	1.375	13	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:N[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C(OC[6])(H)3	113.9050	0.000	1	113.9050	0.000	1	113.9050	0.000	1	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:P[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]P[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]ClW)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6a]P[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]ClW)(OC)(H){1|H<1>,4|C<3>}	C(OC[6])(H)3	114.2620	0.000	1	114.2620	0.000	1	114.2620	0.000	1	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C(OC[6])(H)3	113.9366	0.886	5	113.9366	0.785	5	113.7373	0.745	10	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	C(OC[6])(H)3	113.2980	0.000	1	113.2980	0.000	1	113.7373	0.745	10	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H){2|C<4>}	C(OC[6])(H)3	113.9180	0.000	1	113.9180	0.000	1	113.7373	0.745	10	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	C(OC[6])(H)3	112.0880	0.000	1	112.0880	0.000	1	113.7373	0.745	10	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,4|C<3>}	C(OC[6])(H)3	114.1930	0.072	2	114.1930	0.005	2	113.7373	0.745	10	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	N[5,6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]N[5,6]C[6]H)(CH3)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]N[5,6]C[6]H)(CH3)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,4|C<4>}	C(OC[6])(H)3	112.4670	0.000	1	112.4670	0.000	1	114.3343	2.682	3	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	N[5,6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]N[5,6]C[6]H)(CH3)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]N[5,6]C[6]H)(CH3)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H){1|O<1>,4|C<3>}	C(OC[6])(H)3	115.2680	0.365	2	115.2680	0.133	2	114.3343	2.682	3	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	N[6,6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]N[6,6]C[6]H)(CH3)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]N[6,6]C[6]H)(CH3)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(OC[6])(H)3	114.1577	0.134	3	114.1577	0.018	3	114.1577	0.018	3	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:1:1:1:	C[6]-4:C-4:	N[6]-3:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]H)(CH3)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]N[6]H)(CH3)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){2|H<1>,4|C<3>}	C(OC[6])(H)3	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	113.7983	1.253	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[5a,6]C[5,6]H)(CCHH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[5a,6]C[5,6]H)(CCHH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(OC[6])(CH3)(H)2	115.0790	0.000	1	115.0790	0.000	1	115.0790	0.000	1	113.8292	1.218	17	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	C(OC[6])(CH3)(H)2	113.7390	0.423	4	113.7390	0.179	4	114.0002	0.506	6	113.8292	1.218	17	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	C(OC[6])(CH3)(H)2	113.7570	0.000	1	113.7570	0.000	1	114.0002	0.506	6	113.8292	1.218	17	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(H)2	115.2880	0.000	1	115.2880	0.000	1	114.0002	0.506	6	113.8292	1.218	17	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(OC[6])(CH3)(H)2	113.2610	0.000	1	113.2610	0.000	1	113.7910	0.804	3	113.8292	1.218	17	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCCH)(H)2	O(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C(OC[6])(CCCH)(H)2	113.2860	0.000	1	113.2860	0.000	1	113.7910	0.804	3	113.8292	1.218	17	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C(OC[6])(CH3)(H)2	114.8260	0.000	1	114.8260	0.000	1	113.7910	0.804	3	113.8292	1.218	17	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:4:1:1:	C[6]-4:C-4:	N[5,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]N[5,6]C[6]H)(CCHH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]N[5,6]C[6]H)(CCHH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(OC[6])(CH3)(H)2	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	113.8292	1.218	17	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:4:1:1:	C[6]-4:C-4:	N[5a,6]-3:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]N[5a,6]C[6]H)(CCHH)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]N[5a,6]C[6]H)(CCHH)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,3|C<4>}	C(OC[6])(CH3)(H)2	111.8450	0.115	2	111.8450	0.013	2	111.8450	0.013	2	113.8292	1.218	17	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:4:1:1:	C[6]-4:C-4:	N[6]-3:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CF3)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	C(OC[6])(CF3)(H)2	114.6220	0.000	1	114.6220	0.000	1	114.0470	1.551	4	113.8292	1.218	17	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:4:1:1:	C[6]-4:C-4:	N[6]-3:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]NiH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]NiH)(OC)(H){1|H<1>,2|C<3>}	C(OC[6])(CH3)(H)2	115.1840	0.000	1	115.1840	0.000	1	114.0470	1.551	4	113.8292	1.218	17	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:4:1:1:	C[6]-4:C-4:	N[6]-3:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H){1|O<1>,2|C<3>,3|C<4>}	C(OC[6])(CH3)(H)2	112.3070	0.000	1	112.3070	0.000	1	114.0470	1.551	4	113.8292	1.218	17	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:4:1:1:	C[6]-4:C-4:	N[6]-3:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){1|O<1>,4|C<3>}	C(OC[6])(CH3)(H)2	114.0750	0.000	1	114.0750	0.000	1	114.0470	1.551	4	113.8292	1.218	17	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	2:4:4:1:	C[6]-4:C-4:	N[6,6a]-3:C[6]-4:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]N[6,6a]C[6]H)(CCCH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHO)(CHHO)(H)	O(C[6]N[6,6a]C[6]H)(CCCH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C(OC[6])(CCHO)(CHHO)(H)	121.6890	0.000	1	121.6890	0.000	1	121.6890	0.000	1	121.6890	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5a,6]C[6]H)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5a,6]C[6]H)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.0570	0.000	1	112.0570	0.000	1	112.0570	0.000	1	113.2916	1.888	5	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H){1|C<2>,2|H<1>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.2730	0.000	1	112.2730	0.000	1	112.2730	0.000	1	113.2916	1.888	5	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6a]C[6]H)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6a]C[6]H)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.7830	0.099	2	114.7830	0.010	2	114.7830	0.010	2	113.2916	1.888	5	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	113.2916	1.888	5	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[5a]-3:C[6]-4:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5a]C[6]O[6])(CH3)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]CH)(O[6]C[6])(OC)	C(OC[6])(H)3	O(C[6]C[5a]C[6]O[6])(CH3)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]CH)(O[6]C[6])(OC){2|C<3>,2|H<1>,3|C<4>}	C(OC[6])(H)3	114.5150	0.167	2	114.5150	0.028	2	114.5150	0.028	2	114.3676	1.030	5	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2	C(OC[6])(H)3	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2{4|C<3>}	C(OC[6])(H)3	115.0875	0.047	2	115.0875	0.002	2	115.0875	0.002	2	114.3676	1.030	5	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6a]-3:C[6]-4:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6,6])(OC)	C(OC[6])(H)3	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6,6])(OC){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(OC[6])(H)3	112.6330	0.000	1	112.6330	0.000	1	112.6330	0.000	1	114.3676	1.030	5	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:3:2:	3:2:1:1:	C[6]-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C-3:O-2:H-1:H-1:	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OC)	C(CC[5a]C)(OC[6])(H)2	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OC){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(CC[5a]C)(OC[6])(H)2	118.4290	0.000	1	118.4290	0.000	1	118.4290	0.000	1	118.4290	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:3:2:	4:2:1:1:	C[6]-4:C-4:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C-4:O-2:H-1:H-1:	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(OC)	C(CC[6]HH)(OC[6])(H)2	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(OC){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C(CC[6]HH)(OC[6])(H)2	117.6560	0.000	1	117.6560	0.000	1	117.6560	0.000	1	117.6560	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-4:C-4:O-2:	O-2:F-1:F-1:F-1:	O(C[6]C[6]2C)(CF3)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OC)	C(OC[6])(F)3	O(C[6]C[6]2C)(CF3)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OC){2|C<3>,2|H<1>}	C(OC[6])(F)3	121.7040	0.000	1	121.7040	0.000	1	121.7040	0.000	1	117.3900	4.089	7	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OC)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OC){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(H)3	116.4025	0.129	2	116.4025	0.017	2	116.6867	0.251	3	117.3900	4.089	7	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-3:C[6]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OC)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OC){2|C<3>,2|H<1>}	C(OC[6])(H)3	117.2550	0.000	1	117.2550	0.000	1	116.6867	0.251	3	117.3900	4.089	7	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC)	C(OC[6])(H)3	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(OC[6])(H)3	117.5170	0.000	1	117.5170	0.000	1	116.6553	1.160	3	117.3900	4.089	7	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	C(OC[6])(H)3	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,6|H<1>}	C(OC[6])(H)3	117.0010	0.000	1	116.2245	1.206	2	116.6553	1.160	3	117.3900	4.089	7	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	C(OC[6])(H)3	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|O<2>,2|C<3>,6|H<1>}	C(OC[6])(H)3	115.4480	0.000	1	116.2245	1.206	2	116.6553	1.160	3	117.3900	4.089	7	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:4:2:	2:2:1:1:	C[6]-4:C-4:	C[6,6a]-3:C[3,6]-4:C[6]-4:O-2:	O-2:O-2:H-1:H-1:	O(C[6]C[6,6a]C[3,6]C[6])(CHHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC)	C(OC[6])(OC)(H)2	O(C[6]C[6,6a]C[3,6]C[6])(CHHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC){2|C<4>,4|C<3>,4|H<1>}	C(OC[6])(OC)(H)2	117.4680	0.225	2	117.4680	0.051	2	117.4680	0.051	2	117.5524	2.806	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	3:4:4:2:	2:2:1:1:	C[6]-4:C-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:O-2:H-1:H-1:	O(C[6]C[6a]C[6]2)(CHHO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	C(OC[6])(OC)(H)2	O(C[6]C[6a]C[6]2)(CHHO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,6|H<1>}	C(OC[6])(OC)(H)2	117.5805	1.978	6	117.5805	3.914	6	117.5805	3.914	6	117.5524	2.806	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[3,6,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[3,6,6]O[6]H)(CH3)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[3,6,6]O[6]H)(CH3)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(OC[6])(H)3	113.3060	0.000	1	113.3060	0.000	1	113.3060	0.000	1	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[3,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[3,6]O[6]H)(CH3)	C[6](C[3,6]C[3,5,6]N[3,5]H)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[3,6]O[6]H)(CH3)	C[6](C[3,6]C[3,5,6]N[3,5]H)(O[6]C[6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(OC[6])(H)3	113.4270	0.690	2	113.4270	0.476	2	113.4270	0.476	2	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[3x6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[3x6]O[6]H)(CH3)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6,6a])(OC)(H)	C(OC[6])(H)3	O(C[6]C[3x6]O[6]H)(CH3)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6,6a])(OC)(H){1|H<1>,2|O<2>,4|C<3>}	C(OC[6])(H)3	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,5,6]-4:N[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,5,6]N[6]H)(CH3)	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,5,6]N[6]H)(CH3)	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(OC[6])(H)3	113.8910	0.000	1	113.8910	0.000	1	113.8910	0.000	1	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,5,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,5,6]O[6]H)(CH3)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,5,6]O[6]H)(CH3)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	C(OC[6])(H)3	112.9470	0.000	2	112.6450	0.122	4	112.6450	0.122	4	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,5,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,5,6]O[6]H)(CH3)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,5,6]O[6]H)(CH3)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C(OC[6])(H)3	112.3430	0.000	2	112.6450	0.122	4	112.6450	0.122	4	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(OC[6])(H)3	113.7750	0.000	1	113.7750	0.000	1	112.9087	1.034	10	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(OC[6])(H)3	114.0900	0.000	1	114.0900	0.000	1	112.9087	1.034	10	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,1|P<4>,1|S<4>,2|C<4>,2|H<1>}	C(OC[6])(H)3	113.5860	0.000	1	113.5860	0.000	1	112.9087	1.034	10	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C(OC[6])(H)3	113.0050	0.000	1	112.3670	0.814	2	112.9087	1.034	10	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){2|H<1>,4|C<4>}	C(OC[6])(H)3	111.7290	0.000	1	112.3670	0.814	2	112.9087	1.034	10	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]O[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C(OC[6])(H)3	112.5804	1.091	5	112.5804	1.190	5	112.9087	1.034	10	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6])(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(OC[6])(H)3	113.4430	0.000	1	113.4430	0.000	1	113.3789	0.043	7	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[3,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[3,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	C(OC[6])(H)3	112.9530	0.000	1	112.9530	0.000	1	113.3789	0.043	7	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(OC)(H){1|S<4>,2|H<1>,3|C<4>}	C(OC[6])(H)3	113.4875	0.052	2	113.4875	0.003	2	113.3789	0.043	7	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C(OC[6])(H)3	113.5770	0.000	1	113.4270	0.019	3	113.3789	0.043	7	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]O[6]H)(CH3)	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H){2|H<1>,5|C<4>}	C(OC[6])(H)3	113.3520	0.071	2	113.4270	0.019	3	113.3789	0.043	7	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:N[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H){3|C<3>}	C(OC[6])(H)3	113.0140	0.000	1	113.0140	0.000	1	112.9385	0.011	2	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:N[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|W<7>}	C(OC[6])(H)3	112.8630	0.000	1	112.8630	0.000	1	112.9385	0.011	2	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	112.9270	0.057	2	112.9270	0.003	2	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(OC)(H){1|C<3>,4|C<4>}	C(OC[6])(H)3	113.9020	0.000	1	113.9020	0.000	1	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(OC[6])(H)3	115.1450	0.000	1	115.1450	0.000	1	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]HH)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(OC[6])(H)3	112.7870	0.000	1	112.7870	0.000	1	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	113.3415	0.401	2	113.3415	0.161	2	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(OC[6])(H)3	113.5720	0.000	1	112.8228	1.722	5	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	112.6355	1.436	4	112.8228	1.722	5	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	114.0090	0.000	1	114.0090	0.000	1	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	112.5315	0.817	2	112.5315	0.667	2	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	112.2300	0.000	1	112.2300	0.000	1	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	113.5440	0.505	3	113.5440	0.255	3	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H){1|C<3>,1|H<1>,1|O<1>}	C(OC[6])(H)3	115.3500	0.000	1	115.3500	0.000	1	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	113.9263	0.908	6	113.6573	1.193	7	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){2|C<3>,2|H<1>}	C(OC[6])(H)3	112.0430	0.000	1	113.6573	1.193	7	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(H)3	112.6140	0.000	1	112.6140	0.000	1	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|H<1>,1|N<2>,2|C<4>}	C(OC[6])(H)3	112.3550	0.000	1	112.9028	0.265	6	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(H)3	113.0124	0.491	5	112.9028	0.265	6	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,1|N<3>,3|C<4>}	C(OC[6])(H)3	112.5840	0.000	1	113.2814	2.447	9	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C(OC[6])(H)3	113.5493	1.780	6	113.2814	2.447	9	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	111.7280	0.000	1	113.2814	2.447	9	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(H)3	113.9250	0.000	1	113.2814	2.447	9	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	113.4630	0.160	2	112.8603	0.726	21	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(OC[6])(H)3	112.1660	0.000	1	112.8603	0.726	21	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	C(OC[6])(H)3	112.9815	0.796	8	112.8603	0.726	21	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	112.9121	0.875	8	112.8603	0.726	21	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|S<4>,2|C<4>,2|H<1>}	C(OC[6])(H)3	111.9130	1.253	2	112.8603	0.726	21	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	112.9530	0.756	10	112.9530	0.571	10	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C(OC[6])(H)3	112.8140	0.000	1	112.8140	0.000	1	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	112.6690	0.000	1	113.0602	0.615	13	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	113.0928	0.810	12	113.0602	0.615	13	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(H)3	113.0800	0.397	3	113.0692	1.265	65	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(OC[6])(H)3	113.6872	1.331	6	113.0692	1.265	65	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	C(OC[6])(H)3	113.3860	0.000	1	113.0692	1.265	65	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	112.7170	0.000	1	113.0692	1.265	65	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(OC[6])(H)3	113.3800	0.000	1	113.0692	1.265	65	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	112.9386	1.167	49	113.0692	1.265	65	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<3>,2|C<4>,2|H<1>}	C(OC[6])(H)3	112.7590	0.000	1	113.0692	1.265	65	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|S<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	114.0325	0.667	2	113.0692	1.265	65	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(H)3	113.8340	0.000	1	113.0692	1.265	65	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|S<4>,2|H<1>,4|C<4>}	C(OC[6])(H)3	114.4820	0.373	2	114.4820	0.139	2	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]O[6]H)(CH3)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(OC)(H){1|O<1>,4|C<3>}	C(OC[6])(H)3	113.6550	0.000	1	113.6550	0.000	1	113.1105	1.074	156	113.1090	0.982	184	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H)	C(OC[6])(CC)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CC)(H)2	113.0540	0.000	1	113.0540	0.000	1	113.2500	0.077	2	113.2500	0.077	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C(OC[6])(CC)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CC)(H)2	113.4460	0.000	1	113.4460	0.000	1	113.2500	0.077	2	113.2500	0.077	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:3:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-3:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CCH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CCH)(H)2	114.1585	1.921	2	114.1585	3.691	2	114.3738	1.414	4	114.3738	1.414	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:3:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-3:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(OC)(H)	C(OC[6])(CCH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(OC[6])(CCH)(H)2	115.0170	0.000	1	115.0170	0.000	1	114.3738	1.414	4	114.3738	1.414	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:3:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-3:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	C(OC[6])(CCH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(OC[6])(CCH)(H)2	114.1610	0.000	1	114.1610	0.000	1	114.3738	1.414	4	114.3738	1.414	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[5,6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(OC[6])(CH3)(H)2	114.0690	0.000	1	114.0690	0.000	1	114.0690	0.000	1	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,3|C<3>}	C(OC[6])(CH3)(H)2	114.0555	1.615	4	114.0555	2.609	4	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(H)2	115.4330	0.000	1	115.4330	0.000	1	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CCHH)(H)2	112.8130	0.000	1	112.8130	0.000	1	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(H)2	113.0080	0.000	1	113.0080	0.000	1	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	C(OC[6])(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CHHO)(H)2	114.7570	0.000	1	114.7570	0.000	1	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(CH3)(H)2	114.2660	0.000	1	114.2660	0.000	1	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[6])(CH3)(H)2	118.0900	0.000	1	116.0290	8.495	2	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H){4|C<3>}	C(OC[6])(CH3)(H)2	113.9680	0.000	1	116.0290	8.495	2	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CH3)(H)2	112.6110	0.000	1	112.6110	0.000	1	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H){1|H<1>,3|C<3>}	C(OC[6])(CH3)(H)2	116.0020	0.000	1	116.0020	0.000	1	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[6])(CH3)(H)2	113.5120	0.000	1	113.5120	0.000	1	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CCHH)(H)2	114.7950	0.000	1	114.7950	0.000	1	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CH3)(H)2	112.9350	0.000	1	113.5591	0.198	8	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(OC[6])(CH3)(H)2	113.6620	0.042	2	113.5591	0.198	8	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[6])(CH3)(H)2	113.6170	0.000	1	113.5591	0.198	8	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	C(OC[6])(CH3)(H)2	112.8800	0.000	1	113.5591	0.198	8	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(H)2	113.8190	0.318	2	113.5591	0.198	8	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(H)2	114.0790	0.000	1	113.5591	0.198	8	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H){1|H<1>,2|C<3>}	C(OC[6])(CH3)(H)2	113.9790	0.000	1	113.9790	0.000	1	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(OC[6])(CCHH)(H)2	113.5260	0.000	1	114.0147	0.209	3	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CCHH)(H)2	114.2590	0.245	2	114.0147	0.209	3	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CCHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CCHO)(H)2	112.7010	0.000	1	112.7010	0.000	1	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CCo3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CCo3)(H)2	112.7875	0.730	2	112.7875	0.534	2	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(H)2	113.5360	0.000	1	113.5360	0.000	1	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CHHN)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CHHN)(H)2	114.3050	4.680	2	114.3050	21.899	2	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CHHO)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CHHO)(H)2	113.6670	0.000	1	113.6670	0.000	1	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CHHS)(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CHHS)(H)2	113.0460	0.000	1	113.0460	0.000	1	113.9174	2.002	35	113.9216	1.945	36	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:2:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:C-2:H-1:	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CCHH)(CC)(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CCHH)(CC)(H)	116.3670	0.000	1	116.3670	0.000	1	116.3670	0.000	1	115.1663	1.220	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:2:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:O-2:H-1:	O(C[6]C[6]O[6]H)(CCHO)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C(OC[6])(CCCO)(OC)(H)	O(C[6]C[6]O[6]H)(CCHO)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CCCO)(OC)(H)	114.5660	0.528	2	114.5660	0.278	2	114.5660	0.278	2	115.1663	1.220	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:4:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(CCCH)2(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C(OC[6])(CCCH)2(H)	114.2047	1.852	3	114.5580	2.080	5	115.1555	2.216	11	115.1555	2.216	11	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:4:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(OC[6])(CCCH)2(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CCCH)2(H)	115.0880	0.721	2	114.5580	2.080	5	115.1555	2.216	11	115.1555	2.216	11	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:4:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)2(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|H<1>,1|N<2>,2|C<4>}	C(OC[6])(CH3)2(H)	113.8750	0.000	1	113.8750	0.000	1	115.1555	2.216	11	115.1555	2.216	11	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:4:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CCCH)(CCCO)(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(OC[6])(CCCH)(CCCO)(H)	116.8183	0.964	3	116.8183	0.929	3	115.1555	2.216	11	115.1555	2.216	11	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:4:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)2(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(OC[6])(CH3)2(H)	114.8570	0.000	1	114.7955	0.008	2	115.1555	2.216	11	115.1555	2.216	11	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:4:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)2(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)2(H)	114.7340	0.000	1	114.7955	0.008	2	115.1555	2.216	11	115.1555	2.216	11	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:4:4:	C[6]-4:C-4:	C[6,6]-4:O[6]-2:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6,6]O[6]H)(CC3)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(OC)(H)	C(OC[6])(CH3)3	O(C[6]C[6,6]O[6]H)(CC3)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C(OC[6])(CH3)3	119.2100	0.000	1	119.2100	0.000	1	119.2100	0.000	1	119.4940	0.161	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	2:4:4:4:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]O[6]H)(CC3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(OC[6])(CCHO)(CH3)2	O(C[6]C[6]O[6]H)(CC3)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CCHO)(CH3)2	119.7780	0.000	1	119.7780	0.000	1	119.7780	0.000	1	119.4940	0.161	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:O[6]-2:O-2:H-1:	C-3:O-2:H-1:H-1:	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H)	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C(CC[6a]C)(OC[6])(H)2	116.7590	0.000	1	116.7590	0.000	1	116.1057	0.497	3	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:O[6]-2:O-2:H-1:	C-3:O-2:H-1:H-1:	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H)	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(CC[6a]C)(OC[6])(H)2	116.1990	0.000	1	116.1990	0.000	1	116.1057	0.497	3	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:O[6]-2:O-2:H-1:	C-3:O-2:H-1:H-1:	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H)	C(CC[6a]C)(OC[6])(H)2	O(C[6]C[5,6]O[6]H)(CCHH)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C(CC[6a]C)(OC[6])(H)2	115.3590	0.000	1	115.3590	0.000	1	116.1057	0.497	3	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.1880	0.544	2	113.2137	2.996	3	113.5735	0.980	19	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	111.2650	0.000	1	113.2137	2.996	3	113.5735	0.980	19	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.0880	0.000	1	112.0880	0.000	1	113.5735	0.980	19	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.6420	0.000	1	114.6420	0.000	1	113.5735	0.980	19	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.7860	1.335	2	113.7860	1.782	2	113.5735	0.980	19	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HH)(O[6]N[4,6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HH)(O[6]N[4,6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.0870	0.000	1	114.0870	0.000	1	113.5735	0.980	19	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HH)(O[6]N[5,6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HH)(O[6]N[5,6])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.8150	0.000	1	114.8150	0.000	1	113.5735	0.980	19	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.0640	0.000	1	113.0640	0.000	1	113.5735	0.980	19	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.2190	1.414	2	113.2190	2.000	2	113.5735	0.980	19	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.6580	0.066	2	113.6988	0.405	5	113.5735	0.980	19	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.3900	0.966	2	113.6988	0.405	5	113.5735	0.980	19	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.3980	0.000	1	113.6988	0.405	5	113.5735	0.980	19	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6a]HH)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.5280	0.136	2	113.5280	0.018	2	113.5735	0.980	19	113.9188	1.678	22	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:2:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:C-2:H-1:	O(C[6]C[6]O[6]H)(CC[6a]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(CN)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(CN)(H)	114.7845	1.354	2	114.7845	1.834	2	114.7845	1.834	2	114.7845	1.834	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:4:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:C-4:H-1:	O(C[6]C[6]O[6]H)(CC[6a]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	113.9170	0.000	1	113.9170	0.000	1	113.7695	0.044	2	113.7695	0.044	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	3:2:4:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:O-2:C-4:H-1:	O(C[6]C[6]O[6]H)(CC[6a]CH)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	113.6220	0.000	1	113.6220	0.000	1	113.7695	0.044	2	113.7695	0.044	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	C(CBrHH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CBrHH)(OC[6])(H)2	112.4960	0.000	1	112.4960	0.000	1	113.1550	1.321	8	113.0969	1.650	14	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	C(CClHH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(CClHH)(OC[6])(H)2	115.4470	0.000	1	115.4470	0.000	1	113.1550	1.321	8	113.0969	1.650	14	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(CBrHH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CBrHH)(OC[6])(H)2	112.7610	0.000	1	112.7610	0.000	1	113.1550	1.321	8	113.0969	1.650	14	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(CClHH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CClHH)(OC[6])(H)2	111.5140	0.000	1	111.5140	0.000	1	113.1550	1.321	8	113.0969	1.650	14	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(CN[5]HH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CN[5]HH)(OC[6])(H)2	113.1250	0.000	1	113.1250	0.000	1	113.1550	1.321	8	113.0969	1.650	14	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(CN[5a]HH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CN[5a]HH)(OC[6])(H)2	113.6320	0.000	1	113.6320	0.000	1	113.1550	1.321	8	113.0969	1.650	14	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(CSiHH)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CSiHH)(OC[6])(H)2	113.1325	0.692	2	113.1325	0.479	2	113.1550	1.321	8	113.0969	1.650	14	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[5]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(C[5]C[5]O[5]H)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[5]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(OC[6])(H)2	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	113.0969	1.650	14	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6]HH)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	C(C[6]C[6]O[6]H)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6]HH)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC[6])(H)2	112.4370	0.000	1	112.4370	0.000	1	113.4028	1.933	5	113.0969	1.650	14	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(C[6]C[6]O[6]H)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]H)(OC[6])(H)2	112.9390	0.000	1	113.6442	2.189	4	113.4028	1.933	5	113.0969	1.650	14	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:O-2:H-1:H-1:	O(C[6]C[6]O[6]H)(CC[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(C[6]C[6]O[6]H)(OC[6])(H)2	O(C[6]C[6]O[6]H)(CC[6]HH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]H)(OC[6])(H)2	113.8793	1.718	3	113.6442	2.189	4	113.4028	1.933	5	113.0969	1.650	14	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:2:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C-4:O-2:O-2:H-1:	O(C[6]C[6]O[6]H)(CCHO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(CBrCC)(OC[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHO)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CBrCC)(OC[6])(OC)(H)	117.5000	0.000	1	117.5000	0.000	1	117.5000	0.000	1	117.5000	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:3:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C-4:O-2:C-3:H-1:	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(CC[6]HH)(OC[6])(CCH)(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(CC[6]HH)(OC[6])(CCH)(H)	117.0990	0.000	1	117.0990	0.000	1	117.0990	0.000	1	117.0990	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:4:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C-4:O-2:C-4:H-1:	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(CBrHH)(OC[6])(CH3)(H)	O(C[6]C[6]O[6]H)(CCCH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CBrHH)(OC[6])(CH3)(H)	115.0350	0.000	1	115.0350	0.000	1	115.0350	0.000	1	114.8063	2.197	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:4:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:O-2:C-4:H-1:	O(C[6]C[6]O[6]H)(CC[5]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	O(C[6]C[6]O[6]H)(CC[5]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	116.1610	0.000	1	116.1610	0.000	1	114.6920	4.316	2	114.8063	2.197	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:4:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:O-2:C-4:H-1:	O(C[6]C[6]O[6]H)(CC[5]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	O(C[6]C[6]O[6]H)(CC[5]CH)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	113.2230	0.000	1	113.2230	0.000	1	114.6920	4.316	2	114.8063	2.197	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:1:	4:2:4:4:	C[6]-4:C-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:O-2:C-4:C-4:	O(C[6]C[6]O[6]H)(CC[5]CC)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	O(C[6]C[6]O[6]H)(CC[5]CC)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	120.5568	1.819	5	120.5568	3.308	5	120.5568	3.308	5	120.5568	3.308	5	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:2:2:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:N-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]N)(CCHH)	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]N)(CCHH)	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC){1|H<1>,3|C<3>}	C(OC[6])(CH3)(H)2	115.1750	0.000	1	115.1750	0.000	1	115.1750	0.000	1	115.1750	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[5,6]HH)(O[6]C[6])(COO)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[5,6]HH)(O[6]C[6])(COO)(OC){1|C<3>,2|C<4>,2|H<1>}	C(OC[6])(H)3	115.1190	0.000	1	115.1190	0.000	1	115.6488	0.395	6	115.6488	0.395	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]BrH)(O[6]C[5,6])(COS)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]BrH)(O[6]C[5,6])(COS)(OC){1|C<4>,2|C<3>,2|H<1>}	C(OC[6])(H)3	116.3495	0.299	2	116.3495	0.089	2	115.6488	0.395	6	115.6488	0.395	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]BrH)(O[6]C[6])(COS)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]BrH)(O[6]C[6])(COS)(OC){1|C<4>,2|C<3>,2|H<1>}	C(OC[6])(H)3	115.2005	0.472	2	115.2005	0.222	2	115.6488	0.395	6	115.6488	0.395	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OC){1|N<3>,2|C<4>,2|H<1>}	C(OC[6])(H)3	115.6740	0.000	1	115.6740	0.000	1	115.6488	0.395	6	115.6488	0.395	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]O[6]C)(CH3)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[5,6]O[6]C)(CH3)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(OC){2|O<2>,4|C<4>}	C(OC[6])(H)3	115.2210	0.000	1	115.2210	0.000	1	115.2210	0.000	1	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C(OC[6])(H)3	115.4980	0.000	1	115.4980	0.000	1	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OC){2|H<1>,3|C<4>}	C(OC[6])(H)3	117.1000	0.000	1	117.1000	0.000	1	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC){1|C<4>,4|H<1>}	C(OC[6])(H)3	116.0880	0.000	1	116.0880	0.000	1	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,3|C<3>}	C(OC[6])(H)3	116.4525	0.146	2	116.4525	0.021	2	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,1|O<1>,2|C<3>}	C(OC[6])(H)3	114.8800	0.000	2	115.5947	0.802	6	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,1|O<2>,2|C<3>}	C(OC[6])(H)3	116.7050	0.000	2	115.5947	0.802	6	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HH)(O[6]N[6])(CH3)(OC){1|H<1>,2|C<3>}	C(OC[6])(H)3	115.1990	0.455	2	115.5947	0.802	6	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC){1|C<4>,1|O<2>,3|H<1>}	C(OC[6])(H)3	116.2780	0.000	1	116.2780	0.000	1	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6])(H)3	115.8475	0.050	2	115.9361	0.443	63	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6,6])(CH3)(OC){1|H<1>,2|C<4>}	C(OC[6])(H)3	115.9390	0.676	61	115.9361	0.443	63	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6])(H)3	115.5966	0.536	16	116.1035	0.586	56	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,1|C<4>}	C(OC[6])(H)3	117.5070	0.000	1	116.1035	0.586	56	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,2|C<4>}	C(OC[6])(H)3	116.0145	0.375	6	116.1035	0.586	56	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<3>,2|H<1>}	C(OC[6])(H)3	115.3650	0.000	1	116.1035	0.586	56	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,1|O<1>}	C(OC[6])(H)3	116.7705	0.900	13	116.1035	0.586	56	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|C<4>,2|H<1>}	C(OC[6])(H)3	116.1615	0.698	8	116.1035	0.586	56	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]O[6]C)(CH3)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C(OC[6])(H)3	115.9984	0.385	11	116.1035	0.586	56	116.0092	0.519	131	116.0032	0.520	132	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:4:1:1:	C[6]-4:C-4:	C[5,6]-4:O[6]-2:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[5,6]O[6]C)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC)	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]O[6]C)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CCHH)(OC){1|H<1>,2|C<3>,2|C<4>}	C(OC[6])(CH3)(H)2	117.4120	0.000	1	117.4120	0.000	1	116.7108	0.266	5	116.5949	0.770	9	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:4:1:1:	C[6]-4:C-4:	C[5,6]-4:O[6]-2:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[5,6]O[6]C)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC)	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]O[6]C)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6a])(CH3)(OC){1|H<1>,2|C<3>,2|C<4>}	C(OC[6])(CH3)(H)2	116.5355	0.387	4	116.5355	0.150	4	116.7108	0.266	5	116.5949	0.770	9	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]C)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]C)(CCHH)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OC){1|C<4>,1|O<2>,3|H<1>}	C(OC[6])(CH3)(H)2	118.1690	0.000	1	118.1690	0.000	1	116.4500	1.649	4	116.5949	0.770	9	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]C)(CCHH)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]C)(CCHH)	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,1|S<4>,2|C<4>}	C(OC[6])(CH3)(H)2	116.2620	0.000	1	116.2620	0.000	1	116.4500	1.649	4	116.5949	0.770	9	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6]O[6]C)(CCHH)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC)	C(OC[6])(CH3)(H)2	O(C[6]C[6]O[6]C)(CCHH)	C[6](C[6]O[6]CO)(O[6]C[6])(CH3)(OC){1|H<1>,2|C<4>}	C(OC[6])(CH3)(H)2	115.6845	0.886	2	115.6845	0.785	2	116.4500	1.649	4	116.5949	0.770	9	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	3:4:2:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	O(C[6]C[6]O[6]C)(CC[6a]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	O(C[6]C[6]O[6]C)(CC[6a]CH)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OC){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	118.3800	0.000	1	118.3800	0.000	1	118.3800	0.000	1	118.3800	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:2:4:2:	4:2:3:1:	C[6]-4:C-4:	C[6]-4:O[6]-2:C-4:O-2:	C-4:O-2:C-3:H-1:	O(C[6]C[6]O[6]C)(CCCH)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(OC)	C(CC[6a]HH)(OC[6])(CCH)(H)	O(C[6]C[6]O[6]C)(CCCH)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHI)(OC){1|C<4>,4|H<1>}	C(CC[6a]HH)(OC[6])(CCH)(H)	118.0510	0.099	2	118.0510	0.010	2	118.0510	0.010	2	118.0510	0.010	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6,6]C[6]H)(CH3)	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6,6a]O)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6,6]C[6]H)(CH3)	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6,6a]O)(OC)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C(OC[6])(H)3	113.3523	1.183	3	113.3523	1.400	3	113.3523	1.400	3	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H){1|N<3>,2|H<1>,3|C<4>}	C(OC[6])(H)3	113.3340	0.000	1	113.3340	0.000	1	113.3430	0.381	3	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(OC[6])(H)3	113.9650	0.000	1	113.9650	0.000	1	113.3430	0.381	3	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(H)3	112.7300	0.000	1	112.7300	0.000	1	113.3430	0.381	3	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	C(OC[6])(H)3	112.9430	0.000	1	112.9430	0.000	1	112.9430	0.000	1	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OC)(H){7|C<4>}	C(OC[6])(H)3	112.5445	1.542	2	112.5445	2.378	2	113.6300	3.486	4	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C(OC[6])(H)3	113.4180	0.000	1	113.4180	0.000	1	113.6300	3.486	4	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|O<2>,2|H<1>,4|C<3>}	C(OC[6])(H)3	116.0130	0.000	1	116.0130	0.000	1	113.6300	3.486	4	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(OC)(H){2|C<4>,2|H<1>}	C(OC[6])(H)3	113.4440	0.000	1	113.4440	0.000	1	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C(OC[6])(H)3	112.6407	0.738	3	112.6407	0.545	3	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(OC[6])(H)3	113.3250	0.000	1	113.4296	0.431	5	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	C(OC[6])(H)3	113.6360	0.813	3	113.4296	0.431	5	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<4>,2|H<1>}	C(OC[6])(H)3	112.9150	0.000	1	113.4296	0.431	5	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(H)3	113.3935	1.288	2	113.2183	0.921	3	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C(OC[6])(H)3	112.8680	0.000	1	113.2183	0.921	3	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C(OC[6])(H)3	115.2040	0.000	1	115.2040	0.000	1	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	C(OC[6])(H)3	113.1340	0.000	1	114.2795	2.624	2	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	C(OC[6])(H)3	115.4250	0.000	1	114.2795	2.624	2	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H){1|C<4>,2|C<3>}	C(OC[6])(H)3	113.2140	0.000	1	113.2140	0.000	1	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]OO)(C[6]C[6]C)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]OO)(C[6]C[6]C)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C(OC[6])(H)3	114.2890	0.000	1	114.2890	0.000	1	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	C(OC[6])(H)3	113.0900	0.000	1	113.0900	0.000	1	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(H)3	113.7250	0.000	1	113.7250	0.000	1	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){2|C<4>,2|H<1>}	C(OC[6])(H)3	115.0950	0.000	1	115.0950	0.000	1	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(H)3	113.6910	0.000	1	113.6910	0.000	1	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C(OC[6])(H)3	114.5030	0.000	1	114.8460	0.235	2	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H){1|C<4>,1|S<4>,2|C<3>}	C(OC[6])(H)3	115.1890	0.000	1	114.8460	0.235	2	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C(OC[6])(H)3	113.5930	0.272	2	113.5930	0.074	2	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){2|C<4>}	C(OC[6])(H)3	114.1400	0.000	1	114.1400	0.000	1	113.6944	0.830	26	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:N[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,2|C<4>,2|S<2>}	C(OC[6])(H)3	114.2110	0.000	1	114.2110	0.000	1	113.2422	0.564	15	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:N[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H){1|O<1>,4|C<3>}	C(OC[6])(H)3	113.0890	0.000	1	113.0890	0.000	1	113.2422	0.564	15	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:N[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C(OC[6])(H)3	113.9940	1.430	2	113.9940	2.044	2	113.2422	0.564	15	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:N[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(OC[6])(H)3	112.9520	1.250	2	112.9520	1.563	2	113.2422	0.564	15	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:N[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C(OC[6])(H)3	113.1358	0.255	5	113.1358	0.065	5	113.2422	0.564	15	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:N[6]-3:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(H)3	112.9405	0.671	4	112.9405	0.451	4	113.2422	0.564	15	113.5045	0.886	52	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:2:1:1:	C[6]-4:C-4:	C[3x6]-4:C[6]-3:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[3x6]C[6]H)(CHHO)	C[6](C[3x6]C[3x6]C[5,6]N[6])(C[6]O[6]O)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[3x6]C[6]H)(CHHO)	C[6](C[3x6]C[3x6]C[5,6]N[6])(C[6]O[6]O)(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(OC[6])(OC)(H)2	113.3760	0.000	1	113.3760	0.000	1	113.3760	0.000	1	113.5830	0.278	5	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Br<1>,1|C<4>,1|H<1>,1|I<1>}	C(OC[6])(OC)(H)2	113.6347	0.594	4	113.6347	0.353	4	113.6347	0.353	4	113.5830	0.278	5	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:3:1:1:	C[6]-4:C-4:	C[5,6,6]-4:C[6,6a]-3:O-2:H-1:	O-2:C-3:H-1:H-1:	O(C[6]C[5,6,6]C[6,6a]H)(CCHH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C(OC[6])(CCH)(H)2	O(C[6]C[5,6,6]C[6,6a]H)(CCHH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){4|C<3>,4|C<4>,4|H<1>}	C(OC[6])(CCH)(H)2	114.9580	0.260	2	114.9580	0.068	2	114.9580	0.068	2	114.9580	0.068	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:4:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(OC[6])(CH3)(H)2	113.2040	0.000	1	113.2040	0.000	1	113.2040	0.000	1	114.4817	3.566	7	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(H)2	114.0610	0.000	1	114.0610	0.000	1	113.4900	3.673	3	114.4817	3.566	7	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(CH3)(H)2	111.3530	0.000	1	111.3530	0.000	1	113.4900	3.673	3	114.4817	3.566	7	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	C(OC[6])(CH3)(H)2	115.0560	0.000	1	115.0560	0.000	1	113.4900	3.673	3	114.4817	3.566	7	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:N[6]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[6])(CH3)(H)2	115.2950	0.000	1	115.1470	0.044	2	115.8993	1.720	3	114.4817	3.566	7	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:N[6]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,3|C<3>}	C(OC[6])(CH3)(H)2	114.9990	0.000	1	115.1470	0.044	2	115.8993	1.720	3	114.4817	3.566	7	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:N[6]-3:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	C(OC[6])(CH3)(H)2	117.4040	0.000	1	117.4040	0.000	1	115.8993	1.720	3	114.4817	3.566	7	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:4:4:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	C(OC[6])(CCHH)2(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C(OC[6])(CCHH)2(H)	115.4930	1.001	4	115.3080	0.923	5	115.3080	0.923	5	115.3080	0.923	5	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	2:4:4:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	C(OC[6])(CCHH)2(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|N<3>}	C(OC[6])(CCHH)2(H)	114.5680	0.000	1	115.3080	0.923	5	115.3080	0.923	5	115.3080	0.923	5	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	111.2030	0.000	1	111.2030	0.000	1	113.8975	3.344	4	113.7424	1.342	18	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.7600	0.000	1	114.7957	0.175	3	113.8975	3.344	4	113.7424	1.342	18	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.8135	0.590	2	114.7957	0.175	3	113.8975	3.344	4	113.7424	1.342	18	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.7500	0.000	1	113.7500	0.000	1	113.6981	0.973	14	113.7424	1.342	18	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.4850	0.000	1	115.4850	0.000	1	113.6981	0.973	14	113.7424	1.342	18	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.7985	0.814	2	113.7985	0.662	2	113.6981	0.973	14	113.7424	1.342	18	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]I)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]I)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.3420	0.000	1	113.3420	0.000	1	113.6981	0.973	14	113.7424	1.342	18	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.1580	0.000	1	114.1580	0.000	1	113.6981	0.973	14	113.7424	1.342	18	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.1800	0.490	4	114.1800	0.240	4	113.6981	0.973	14	113.7424	1.342	18	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.5790	0.000	1	112.8780	1.090	3	113.6981	0.973	14	113.7424	1.342	18	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.5275	1.201	2	112.8780	1.090	3	113.6981	0.973	14	113.7424	1.342	18	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]C)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.0880	0.000	1	112.0880	0.000	1	113.6981	0.973	14	113.7424	1.342	18	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:1:	3:2:4:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:O-2:C-4:H-1:	O(C[6]C[6]2H)(CC[6a]CH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	O(C[6]C[6]2H)(CC[6a]CH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	119.8718	0.456	4	119.8718	0.208	4	119.8718	0.208	4	119.8718	0.208	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[5,6,6]-4:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6,6]C[6]O)(CH3)	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(OC)2	C(OC[6])(H)3	O(C[6]C[5,6,6]C[6]O)(CH3)	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(OC)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C(OC[6])(H)3	116.8490	1.877	2	116.8490	3.522	2	116.8490	3.522	2	116.1544	0.760	19	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)2	C(OC[6])(H)3	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C(OC[6])(H)3	116.1050	1.249	2	116.1050	1.559	2	116.1605	0.524	4	116.1544	0.760	19	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OC)2	C(OC[6])(H)3	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OC)2{1|N<2>,2|C<3>,2|H<1>}	C(OC[6])(H)3	116.2160	0.016	2	116.2160	0.000	2	116.1605	0.524	4	116.1544	0.760	19	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6a]O[6])(CH3)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C(OC[6])(H)3	O(C[6]C[5,6]C[6a]O[6])(CH3)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C(OC[6])(H)3	115.2410	0.000	1	115.2410	0.000	1	115.2410	0.000	1	116.1544	0.760	19	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)2	C(OC[6])(H)3	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,3|C<4>,3|H<1>}	C(OC[6])(H)3	116.0050	0.515	2	116.0050	0.265	2	116.2190	0.126	6	116.1544	0.760	19	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(OC)2	C(OC[6])(H)3	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(OC)2{1|C<3>,1|C<4>,4|H<1>}	C(OC[6])(H)3	116.1200	0.211	2	116.1200	0.044	2	116.2190	0.126	6	116.1544	0.760	19	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(OC)2	C(OC[6])(H)3	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(OC)2{1|S<4>,3|C<3>}	C(OC[6])(H)3	116.5320	0.113	2	116.5320	0.013	2	116.2190	0.126	6	116.1544	0.760	19	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(H)3	115.6675	1.060	2	115.6675	1.124	2	115.6675	1.124	2	116.1544	0.760	19	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6a]-3:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6,6])(OC)	C(OC[6])(H)3	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6,6])(OC){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(OC[6])(H)3	115.3475	0.439	2	115.3475	0.193	2	115.3475	0.193	2	116.1544	0.760	19	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:N[6]-3:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]O)(CH3)	C[6](C[6]C[6]OO)(N[6]C[6]S)(OC)2	C(OC[6])(H)3	O(C[6]C[6]N[6]O)(CH3)	C[6](C[6]C[6]OO)(N[6]C[6]S)(OC)2{2|C<3>,2|H<1>}	C(OC[6])(H)3	117.0040	1.260	2	117.0040	1.588	2	117.0040	1.588	2	116.1544	0.760	19	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:2:	2:4:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[5,6]C[6a]O[6])(CCHH)	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]C[6a]O[6])(CCHH)	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C(OC[6])(CH3)(H)2	116.9260	0.000	1	116.9260	0.000	1	116.9260	0.000	1	115.5557	1.425	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:2:2:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)2	C(OC[6])(CH3)(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)2{1|H<1>,2|C<3>}	C(OC[6])(CH3)(H)2	114.8705	0.180	2	114.8705	0.033	2	114.8705	0.033	2	115.5557	1.425	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:C[6]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]3)(CH3)	C[6](C[6]C[6]2O)(C[6]C[6]H)2(OC)	C(OC[6])(H)3	O(C[6]C[6]3)(CH3)	C[6](C[6]C[6]2O)(C[6]C[6]H)2(OC){2|C<4>,2|H<1>,3|C<3>}	C(OC[6])(H)3	113.9500	0.000	1	113.9500	0.000	1	113.9500	0.000	1	113.9500	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:3:2:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6a]-3:C[6]-3:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC)	C(OC[6])(CH3)(H)2	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC){1|C<4>,2|C<3>,6|H<1>}	C(OC[6])(CH3)(H)2	116.8030	0.000	1	116.8030	0.000	1	116.1947	0.412	3	116.1947	0.412	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:3:2:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6a]-3:C[6]-3:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC)	C(OC[6])(CHHO)(H)2	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC){1|C<4>,2|C<3>,6|H<1>}	C(OC[6])(CHHO)(H)2	115.8905	0.518	2	115.8905	0.269	2	116.1947	0.412	3	116.1947	0.412	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[5,6]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6,6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[5,6]C[6,6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(OC){3|H<1>,3|O<2>,4|C<4>}	C(OC[6])(H)3	117.4020	1.363	2	117.4020	1.859	2	117.4020	1.859	2	117.3345	0.730	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]C)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]N[6]C)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC){1|N<3>,2|O<1>}	C(OC[6])(H)3	116.8710	0.000	1	116.8710	0.000	1	117.2670	0.314	2	117.3345	0.730	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]N[6]C)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]N[6]C)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(OC[6])(H)3	117.6630	0.000	1	117.6630	0.000	1	117.2670	0.314	2	117.3345	0.730	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:4:2:	2:4:3:1:	C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:O-2:	O-2:C-4:C-3:H-1:	O(C[6]C[6]N[6]C)(CCCH)	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC)	C(OC[6])(CCHH)(CCH)(H)	O(C[6]C[6]N[6]C)(CCCH)	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC){1|C<4>,1|H<1>,2|N<3>}	C(OC[6])(CCHH)(CCH)(H)	116.3400	0.000	1	116.3400	0.000	1	116.3400	0.000	1	116.3400	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:3:4:2:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-3:C-4:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2C)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2C)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)(OC){1|C<3>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	118.7030	0.000	1	118.7030	0.000	1	118.7030	0.000	1	118.7030	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[3,5,6]C[6]H)(CH3)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[3,5,6]C[6]H)(CH3)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H){4|H<1>,5|C<4>}	C(OC[6])(H)3	114.7560	1.243	5	114.7560	1.544	5	114.7560	1.544	5	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[3,6,6]C[6,6]H)(CH3)	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[3,6,6]C[6,6]H)(CH3)	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,4|C<4>,7|H<1>}	C(OC[6])(H)3	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[3,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[3,6]C[5,6]H)(CH3)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[3,6]C[5,6]H)(CH3)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	C(OC[6])(H)3	114.1760	0.000	1	114.1760	0.000	1	114.1760	0.000	1	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[3x6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[3x6]C[6]H)(CH3)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[3x6]C[6]H)(CH3)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<1>,3|C<3>}	C(OC[6])(H)3	113.0880	0.000	1	113.0880	0.000	1	113.0880	0.000	1	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	C(OC[6])(H)3	113.7569	0.501	10	113.5375	1.028	17	113.5104	0.981	18	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	C(OC[6])(H)3	111.7795	1.691	2	113.5375	1.028	17	113.5104	0.981	18	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C(OC[6])(H)3	113.8762	1.183	4	113.5375	1.028	17	113.5104	0.981	18	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<4>,1|O<2>,4|H<1>,5|C<4>}	C(OC[6])(H)3	113.5050	0.000	1	113.5375	1.028	17	113.5104	0.981	18	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,3x6]C[6]H)(CH3)	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C(OC[6])(H)3	113.0490	0.000	1	113.0490	0.000	1	113.5104	0.981	18	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C(OC[6])(H)3	113.0917	0.480	3	113.0917	0.230	3	113.1678	0.263	9	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C(OC[6])(H)3	113.1960	0.853	3	113.1960	0.728	3	113.1678	0.263	9	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	C(OC[6])(H)3	113.3745	0.110	2	113.3745	0.012	2	113.1678	0.263	9	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,5,3x6]C[6]H)(CH3)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C(OC[6])(H)3	112.8980	0.000	1	112.8980	0.000	1	113.1678	0.263	9	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6,6]C[5,6]H)(CH3)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6,6]C[5,6]H)(CH3)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H){2|C<3>,4|C<4>,5|H<1>}	C(OC[6])(H)3	114.3660	0.000	1	114.3660	0.000	1	114.3660	0.000	1	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]2H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]2H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	C(OC[6])(H)3	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C(OC[6])(H)3	112.9555	0.439	2	112.9555	0.193	2	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,3|C<4>,4|H<1>}	C(OC[6])(H)3	111.9950	0.000	1	111.9950	0.000	1	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(OC[6])(H)3	113.9457	1.144	3	113.9457	1.308	3	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(OC[6])(H)3	113.7690	1.304	6	113.7690	1.700	6	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(OC[6])(H)3	116.0443	5.015	3	116.0443	25.150	3	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(OC[6])(H)3	115.0675	0.583	4	115.0675	0.340	4	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C(OC[6])(H)3	114.8240	0.000	1	114.8240	0.000	1	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(OC[6])(H)3	114.5025	0.497	2	114.5025	0.247	2	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(OC[6])(H)3	112.2750	0.000	1	114.5706	5.020	5	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(H)3	115.5850	0.000	1	114.5706	5.020	5	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	114.9977	2.573	3	114.5706	5.020	5	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(OC[6])(H)3	113.6530	0.000	1	113.6530	0.000	1	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H){5|C<3>}	C(OC[6])(H)3	116.4190	0.000	1	116.4190	0.000	1	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(OC[6])(H)3	112.8680	0.000	1	112.8680	0.000	1	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(OC[6])(H)3	112.8410	0.000	1	112.8410	0.000	1	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]H)(CH3)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(OC[6])(H)3	114.0130	0.000	1	114.0130	0.000	1	114.2886	3.720	32	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[5x6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[5x6]C[6]H)(CH3)	C[6](C[5x6]C[5,6,6]C[3x6]C[4x6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[5x6]C[6]H)(CH3)	C[6](C[5x6]C[5,6,6]C[3x6]C[4x6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	C(OC[6])(H)3	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C(OC[6])(H)3	112.4930	0.288	2	112.4930	0.083	2	114.0211	0.759	17	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(OC[6])(H)3	114.4410	0.000	1	114.3577	0.060	4	114.0211	0.759	17	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<1>,3|C<4>}	C(OC[6])(H)3	114.3300	0.293	3	114.3577	0.060	4	114.0211	0.759	17	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(OC[6])(H)3	114.2350	0.000	1	113.6890	0.596	2	114.0211	0.759	17	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C(OC[6])(H)3	113.1430	0.000	1	113.6890	0.596	2	114.0211	0.759	17	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(OC[6])(H)3	114.2848	0.815	9	114.2848	0.664	9	114.0211	0.759	17	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:F-1:F-1:F-1:	O(C[6]C[6]2H)(CF3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(F)3	O(C[6]C[6]2H)(CF3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	C(OC[6])(F)3	116.4120	0.000	1	116.4120	0.000	1	116.7073	1.451	3	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:F-1:F-1:F-1:	O(C[6]C[6]2H)(CF3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	C(OC[6])(F)3	O(C[6]C[6]2H)(CF3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	C(OC[6])(F)3	116.8550	1.665	2	116.8550	2.771	2	116.7073	1.451	3	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H){1|C<6>,2|H<1>,4|B<6>}	C(OC[6])(H)3	114.8850	0.000	1	114.8850	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	110.9710	0.728	2	110.9710	0.530	2	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	114.7420	0.000	1	114.7420	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(OC[6])(H)3	113.3300	1.213	2	113.3300	1.472	2	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	C(OC[6])(H)3	115.3150	3.101	2	115.3150	9.618	2	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(OC[6])(H)3	113.2570	0.000	1	113.2570	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(H)3	114.1090	0.000	1	114.1090	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C(OC[6])(H)3	113.1790	0.472	2	113.1790	0.223	2	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H){1|C<4>,3|C<3>}	C(OC[6])(H)3	114.1325	0.436	2	114.1325	0.190	2	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<1>,1|O<2>}	C(OC[6])(H)3	114.7553	0.363	3	114.7553	0.132	3	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(H)3	114.2446	1.193	5	114.2446	1.422	5	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(H)3	115.1975	0.474	2	115.1975	0.225	2	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(OC[6])(H)3	114.1210	0.000	1	114.1210	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(H)3	112.9080	0.000	1	113.8009	0.735	7	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(OC[6])(H)3	113.3595	0.255	2	113.8009	0.735	7	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(H)3	114.2447	0.889	4	113.8009	0.735	7	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(OC[6])(H)3	115.2590	0.000	1	115.2590	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(H)3	115.2622	1.632	9	115.2622	2.664	9	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|O<2>}	C(OC[6])(H)3	113.3960	0.482	2	113.3960	0.233	2	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(H)3	114.7907	1.106	9	114.7907	1.224	9	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|O<2>}	C(OC[6])(H)3	112.9740	0.000	1	112.9740	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]Br2)(C[6]C[6]OO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]Br2)(C[6]C[6]OO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(OC[6])(H)3	115.8980	0.602	2	115.8980	0.363	2	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(OC[6])(H)3	113.2340	0.000	1	113.4370	0.082	2	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(H)3	113.6400	0.000	1	113.4370	0.082	2	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(OC[6])(H)3	112.8500	0.000	1	112.8500	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(H)3	114.5242	1.169	4	114.5242	1.368	4	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]ClFe)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]ClFe)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>}	C(OC[6])(H)3	114.0930	0.000	1	114.0930	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>}	C(OC[6])(H)3	113.5665	0.036	2	113.5665	0.001	2	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C(OC[6])(H)3	112.2460	0.000	1	112.2460	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(H)3	114.3740	0.000	1	114.3740	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<1>}	C(OC[6])(H)3	113.9720	0.000	1	114.1870	0.206	4	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(H)3	114.2587	0.528	3	114.1870	0.206	4	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C(OC[6])(H)3	115.3707	1.252	3	115.3707	1.567	3	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(OC[6])(H)3	114.2890	0.000	1	114.9291	0.582	8	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(H)3	114.7198	0.867	4	114.9291	0.582	8	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C(OC[6])(H)3	115.6950	0.239	2	114.9291	0.582	8	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(OC)(H){1|N<4>,4|H<1>}	C(OC[6])(H)3	114.8750	0.000	1	114.9291	0.582	8	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(H)3	114.5100	0.000	1	114.5100	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]HW)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]HW)(OC)(H){1|C<3>,3|H<1>}	C(OC[6])(H)3	113.7570	0.000	2	113.7570	0.000	2	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(H)3	115.3390	0.000	1	115.3390	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(H)3	114.4818	0.742	13	114.6340	0.832	14	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	C(OC[6])(H)3	116.6120	0.000	1	114.6340	0.832	14	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(H)3	116.2685	3.835	2	116.2685	14.704	2	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(H)3	114.6310	0.000	1	114.6310	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C(OC[6])(H)3	113.3850	0.000	1	114.0159	1.017	34	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(H)3	114.0351	1.018	33	114.0159	1.017	34	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(OC[6])(H)3	114.7470	0.862	4	114.4270	2.077	49	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	C(OC[6])(H)3	114.4670	0.000	1	114.4270	2.077	49	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(OC[6])(H)3	115.4000	0.000	1	114.4270	2.077	49	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(H)3	114.2291	1.400	40	114.4270	2.077	49	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){2|H<1>,2|O<2>}	C(OC[6])(H)3	114.0870	0.000	1	114.4270	2.077	49	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	C(OC[6])(H)3	117.4085	0.426	2	114.4270	2.077	49	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HW)(C[6]N[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HW)(C[6]N[6]HO)(OC)(H){1|C<3>,1|H<1>}	C(OC[6])(H)3	117.0360	0.000	1	117.0360	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(OC[6])(H)3	113.9970	0.000	1	113.9970	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H){2|C<4>,2|H<1>,3|C<3>}	C(OC[6])(H)3	115.5520	0.000	1	115.5520	0.000	1	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2H)(CH3)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H)	C(OC[6])(H)3	O(C[6]C[6]2H)(CH3)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H){1|H<1>,1|S<4>}	C(OC[6])(H)3	113.8260	0.096	2	113.8260	0.009	2	114.3741	1.667	192	114.2604	1.865	282	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[5,6,6]C[6]H)(CHHO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[5,6,6]C[6]H)(CHHO)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,1|S<2>,3|C<4>,3|H<1>}	C(OC[6])(OC)(H)2	116.3610	0.000	1	116.3610	0.000	1	115.2370	2.527	2	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[5,6,6]C[6]H)(CHHO)	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[5,6,6]C[6]H)(CHHO)	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(OC[6])(OC)(H)2	114.1130	0.000	1	114.1130	0.000	1	115.2370	2.527	2	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H){1|O<1>,4|H<1>,5|C<4>}	C(OC[6])(OC)(H)2	114.8405	0.776	2	114.8405	0.602	2	115.1280	0.954	5	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C(OC[6])(OC)(H)2	116.6250	0.000	1	116.6250	0.000	1	115.1280	0.954	5	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(OC[6])(OC)(H)2	114.2300	0.000	1	114.2300	0.000	1	115.1280	0.954	5	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[5,6]C[6]H)(CHHO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C(OC[6])(OC)(H)2	115.1040	0.000	1	115.1040	0.000	1	115.1280	0.954	5	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[6,6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	C(OC[6])(OC)(H)2	115.5500	0.000	1	115.5500	0.000	1	115.4813	1.665	3	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[6,6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,3|C<3>,3|C<4>}	C(OC[6])(OC)(H)2	116.7360	0.000	1	116.7360	0.000	1	115.4813	1.665	3	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[6,6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C(OC[6])(OC)(H)2	114.1580	0.000	1	114.1580	0.000	1	115.4813	1.665	3	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-2:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)2(OC)(H)	C(OC[6])(CC)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	C(OC[6])(CC)(H)2	114.4240	0.000	1	114.4240	0.000	1	114.4240	0.000	1	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C(OC[6])(OC)(H)2	114.4060	0.000	1	114.4060	0.000	1	114.7494	0.847	20	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	C(OC[6])(OC)(H)2	115.0974	0.967	8	115.0974	0.934	8	114.7494	0.847	20	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(OC)(H)2	114.0260	0.000	1	114.0260	0.000	1	114.7494	0.847	20	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(OC[6])(OC)(H)2	112.9890	0.000	1	112.9890	0.000	1	114.7494	0.847	20	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(OC)(H)2	115.1840	0.000	1	115.1840	0.000	1	114.7494	0.847	20	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(OC)(H)2	114.5650	0.000	1	114.5650	0.000	1	114.7494	0.847	20	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(OC)(H)2	113.8270	0.000	1	113.8270	0.000	1	114.7494	0.847	20	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	C(OC[6])(OC)(H)2	115.0643	0.498	4	115.0643	0.248	4	114.7494	0.847	20	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	C(OC[6])(OC)(H)2	115.5920	0.000	1	114.4770	2.486	2	114.7494	0.847	20	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:H-1:H-1:	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(OC)(H)2	O(C[6]C[6]2H)(CHHO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C(OC[6])(OC)(H)2	113.3620	0.000	1	114.4770	2.486	2	114.7494	0.847	20	114.9022	0.932	31	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:3:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CCH)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CCH)(H)2	115.2330	0.000	1	115.2330	0.000	1	114.3070	1.715	2	114.3070	1.715	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:3:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-3:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	C(OC[6])(CCO)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	C(OC[6])(CCO)(H)2	113.3810	0.000	1	113.3810	0.000	1	114.3070	1.715	2	114.3070	1.715	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CHHO)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	C(OC[6])(CHHO)(H)2	113.8790	0.000	1	113.8790	0.000	1	114.1785	0.258	4	114.0112	1.865	79	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]2Ru)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]2Ru)(C[6]C[6]HH)(OC)(H){1|Ru<6>,1|C<3>,2|H<1>,3|C<4>}	C(OC[6])(CH3)(H)2	114.1745	0.769	2	114.1745	0.591	2	114.1785	0.258	4	114.0112	1.865	79	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C(OC[6])(CH3)(H)2	114.4860	0.000	1	114.4860	0.000	1	114.1785	0.258	4	114.0112	1.865	79	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(CH3)(H)2	114.6550	0.709	2	114.6550	0.502	2	113.9797	1.942	74	114.0112	1.865	79	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	C(OC[6])(CH3)(H)2	113.8295	0.148	2	113.8295	0.022	2	113.9797	1.942	74	114.0112	1.865	79	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	C(OC[6])(CH3)(H)2	113.5870	0.000	1	113.5870	0.000	1	113.9797	1.942	74	114.0112	1.865	79	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CC)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CC)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C(OC[6])(CH3)(H)2	113.4800	0.000	1	113.4800	0.000	1	113.9797	1.942	74	114.0112	1.865	79	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CCHH)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CCHH)(H)2	113.9218	1.689	4	113.9218	2.851	4	113.9797	1.942	74	114.0112	1.865	79	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CHHO)(H)2	113.9309	1.450	61	113.9309	2.103	61	113.9797	1.942	74	114.0112	1.865	79	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(H)2	115.5790	0.000	1	115.5790	0.000	1	113.9797	1.942	74	114.0112	1.865	79	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)(H)2	113.8840	0.000	1	113.8840	0.000	1	113.9797	1.942	74	114.0112	1.865	79	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)2(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(H)2	115.5290	0.000	1	115.5290	0.000	1	113.9797	1.942	74	114.0112	1.865	79	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:1:1:	C[6]-4:C-4:	P[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]C[6]P[6]H)(CCHH)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]C[6]P[6]H)(CCHH)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H){1|C<4>,2|H<1>,6|C<3>}	C(OC[6])(CH3)(H)2	115.6720	0.000	1	115.6720	0.000	1	115.6720	0.000	1	114.0112	1.865	79	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:3:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-3:H-1:	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C(OC[6])(CH3)(COO)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(CH3)(COO)(H)	114.3910	0.000	1	114.3910	0.000	1	115.1755	0.483	6	115.1755	0.483	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:3:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-3:H-1:	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	C(OC[6])(CCHO)(CCH)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CCHO)(CCH)(H)	115.6070	0.000	1	115.6070	0.000	1	115.1755	0.483	6	115.1755	0.483	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:3:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-3:H-1:	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(CNO)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(OC[6])(CH3)(CNO)(H)	115.2638	0.726	4	115.2638	0.528	4	115.1755	0.483	6	115.1755	0.483	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:4:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[6,6]C[6]H)(CCCH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHO)(CH3)(H)	O(C[6]C[6,6]C[6]H)(CCCH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	C(OC[6])(CCHO)(CH3)(H)	114.3880	0.000	1	114.3880	0.000	1	114.3880	0.000	1	115.8010	2.992	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:4:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C(OC[6])(CCHH)2(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(OC[6])(CCHH)2(H)	115.9295	1.972	2	115.9295	3.889	2	116.0836	3.141	5	115.8010	2.992	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:4:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	C(OC[6])(CCHO)(CHHO)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CCHO)(CHHO)(H)	117.3540	0.000	1	117.3540	0.000	1	116.0836	3.141	5	115.8010	2.992	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:4:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[6]2H)(CCCH)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	C(OC[6])(CCHH)(CCHO)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	C(OC[6])(CCHH)(CCHO)(H)	113.7930	0.000	1	113.7930	0.000	1	116.0836	3.141	5	115.8010	2.992	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:4:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:H-1:	O(C[6]C[6]2H)(CCCH)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	C(OC[6])(CCCO)(CCHH)(H)	O(C[6]C[6]2H)(CCCH)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	C(OC[6])(CCCO)(CCHH)(H)	117.4120	0.000	1	117.4120	0.000	1	116.0836	3.141	5	115.8010	2.992	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:4:2:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:O-2:	O(C[6]C[6]2H)(CCCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)2(OC)	O(C[6]C[6]2H)(CCCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CH3)2(OC)	118.5313	1.622	3	118.5313	2.631	3	118.3065	1.956	4	118.3065	1.956	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:4:2:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:O-2:	O(C[6]C[6]2H)(CCCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C(OC[6])(CH3)2(OC)	O(C[6]C[6]2H)(CCCO)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(OC[6])(CH3)2(OC)	117.6320	0.000	1	117.6320	0.000	1	118.3065	1.956	4	118.3065	1.956	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:4:3:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-3:	O(C[6]C[6]2H)(CC3)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	C(OC[6])(CCHO)(CH3)(CCH)	O(C[6]C[6]2H)(CC3)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	C(OC[6])(CCHO)(CH3)(CCH)	116.8540	0.000	1	116.8540	0.000	1	116.8540	0.000	1	116.8540	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHO)(CH3)2	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CCHO)(CH3)2	117.7030	0.000	1	117.7030	0.000	1	117.3000	0.571	8	117.3000	0.571	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHO)(CH3)2	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(OC[6])(CCHO)(CH3)2	117.9193	0.288	3	117.9193	0.083	3	117.3000	0.571	8	117.3000	0.571	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(OC[6])(CCHO)(CH3)2	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,4|H<1>}	C(OC[6])(CCHO)(CH3)2	117.6890	0.000	1	117.6890	0.000	1	117.3000	0.571	8	117.3000	0.571	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C(OC[6])(CCHH)(CCHO)(CH3)	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C(OC[6])(CCHH)(CCHO)(CH3)	116.2970	0.000	1	116.2970	0.000	1	117.3000	0.571	8	117.3000	0.571	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C(OC[6])(CCHO)(CH3)2	O(C[6]C[6]2H)(CC3)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C(OC[6])(CCHO)(CH3)2	116.4940	0.000	1	116.4940	0.000	1	117.3000	0.571	8	117.3000	0.571	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	2:4:4:4:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	O-2:C-4:C-4:C-4:	O(C[6]C[6]2H)(CC3)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	C(OC[6])(CCHH)(CCHO)(CH3)	O(C[6]C[6]2H)(CC3)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	C(OC[6])(CCHH)(CCHO)(CH3)	116.4590	0.000	1	116.4590	0.000	1	117.3000	0.571	8	117.3000	0.571	8	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[3,6]C[5,6]H)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[3,6]C[5,6]H)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OC)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.5750	0.602	3	112.5750	0.363	3	112.5750	0.363	3	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.9820	0.000	1	112.9820	0.000	1	113.0720	0.138	4	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.0610	0.626	2	113.0610	0.392	2	113.0720	0.138	4	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.1840	0.000	1	113.1840	0.000	1	113.0720	0.138	4	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[4,6]C[6]H)(CC[6a]HH)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[4,6]C[6]H)(CC[6a]HH)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	111.4275	0.307	4	111.4275	0.094	4	111.4275	0.094	4	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]2H)(CC[6a]HH)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]2H)(CC[6a]HH)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.7630	0.000	1	114.7630	0.000	1	114.7630	0.000	1	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H){1|H<1>,2|O<2>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.8330	0.000	1	115.8330	0.000	1	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.2417	0.778	4	114.2417	0.606	4	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.9374	1.483	8	113.9374	2.199	8	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.9270	0.000	1	115.9270	0.000	1	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	116.0240	0.000	1	116.0240	0.000	1	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){2|H<1>,2|O<2>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.9510	0.000	1	113.9510	0.000	1	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	111.8870	0.000	1	111.8870	0.000	1	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.5770	1.531	3	114.5770	2.343	3	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.2210	0.000	1	113.2210	0.000	1	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.4700	0.000	1	114.7452	0.318	5	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.5640	0.453	4	114.7452	0.318	5	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.4380	0.000	1	113.4380	0.000	1	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.6870	0.000	1	114.6870	0.000	1	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.6730	0.000	1	112.6730	0.000	1	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	111.9850	0.000	1	111.9850	0.000	1	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.1820	0.000	1	113.4705	1.012	2	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.7590	0.000	1	113.4705	1.012	2	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.6300	0.356	2	114.5482	1.059	5	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.0130	0.031	2	114.5482	1.059	5	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.4550	0.000	1	114.5482	1.059	5	114.1954	1.554	37	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[3,6]C[6,6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[3,6]C[3]2O[6])(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[3,6]C[6,6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[3,6]C[3]2O[6])(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.7930	0.000	1	114.7930	0.000	1	114.7930	0.000	1	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[5,6]C[6,6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]O[6])(C[5,6]C[6,6a]O[5]2)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[5,6]C[6,6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]O[6])(C[5,6]C[6,6a]O[5]2)(OC)(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.7760	0.000	1	112.7760	0.000	1	112.7760	0.000	1	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]2H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]2H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H){1|O<2>,2|H<1>,4|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.7085	0.755	4	113.7085	0.570	4	113.7085	0.570	4	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C(CC[6]H)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(CC[6]H)(OC[6])(H)2	114.7957	0.672	61	114.7744	0.472	62	114.7744	0.472	62	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C(CC[6]H)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C(CC[6]H)(OC[6])(H)2	113.4770	0.000	1	114.7744	0.472	62	114.7744	0.472	62	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CC[6]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C(C[6]C[6]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(OC[6])(H)2	114.2400	0.000	1	114.2400	0.000	1	114.2400	0.000	1	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.9110	0.000	1	114.9110	0.000	1	114.1139	2.215	24	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.3030	0.000	1	113.3030	0.000	1	114.1139	2.215	24	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.7300	0.643	2	113.2050	1.034	3	114.1139	2.215	24	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.1550	0.000	1	113.2050	1.034	3	114.1139	2.215	24	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	116.0200	0.000	1	116.0200	0.000	1	114.1139	2.215	24	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.1750	0.000	1	113.6890	0.528	2	114.1139	2.215	24	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.2030	0.000	1	113.6890	0.528	2	114.1139	2.215	24	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.3956	1.768	8	114.3956	3.126	8	114.1139	2.215	24	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.4475	3.399	2	114.3217	4.489	4	114.1139	2.215	24	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.1960	1.360	2	114.3217	4.489	4	114.1139	2.215	24	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.9660	0.000	1	114.9660	0.000	1	114.1139	2.215	24	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.3630	1.004	3	113.3630	1.008	3	114.1139	2.215	24	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[5a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C(C[5a]C[5a]N[5a])(OC[6])(H)2	O(C[6]C[6]2H)(CC[5a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	C(C[5a]C[5a]N[5a])(OC[6])(H)2	115.5890	0.000	1	115.5890	0.000	1	113.9179	4.182	7	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[5a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[5a]C[5a]N[5a])(OC[6])(H)2	O(C[6]C[6]2H)(CC[5a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[5a]C[5a]N[5a])(OC[6])(H)2	113.6393	2.090	6	113.6393	4.366	6	113.9179	4.182	7	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6]C[6]N[6])(OC[6])(H)2	O(C[6]C[6]2H)(CC[6]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6])(OC[6])(H)2	113.6062	1.246	4	113.6062	1.553	4	114.5285	1.239	13	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6]HH)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[6]C[6]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6]HH)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(OC[6])(H)2	114.9383	0.814	9	114.9383	0.662	9	114.5285	1.239	13	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	116.0070	0.000	1	116.0070	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.6630	0.000	1	114.6630	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.3170	0.000	1	114.3170	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HH)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.2440	0.000	1	113.2440	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.5260	0.000	1	112.5260	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.4540	0.000	1	114.7832	1.413	4	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.6775	1.954	2	114.7832	1.413	4	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.3240	0.000	1	114.7832	1.413	4	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.7140	0.000	1	113.7140	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.8350	0.234	4	115.8350	0.055	4	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.3720	2.998	2	114.4637	2.648	7	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.5004	1.311	5	114.4637	2.648	7	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.8690	0.000	1	114.8690	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.2765	1.928	2	115.2765	3.718	2	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.8310	0.000	1	115.8310	3.091	4	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.8310	2.153	3	115.8310	3.091	4	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.2740	0.000	1	114.2740	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.8140	2.170	3	115.8140	4.708	3	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6,6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	110.2180	0.000	1	110.2180	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.3670	0.000	1	112.3670	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.0680	0.256	3	114.0680	0.065	3	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.5408	1.680	4	112.5408	2.822	4	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.0590	0.000	1	114.0590	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	116.7280	0.000	1	116.7280	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.9462	1.431	5	114.9823	1.646	6	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.1630	0.000	1	114.9823	1.646	6	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.8580	0.412	4	113.8580	0.170	4	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H){1|C<4>,2|F<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.3970	0.000	1	112.3970	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.8130	0.000	1	114.8130	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	111.3240	0.000	1	113.6782	2.023	5	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.5870	0.000	2	113.6782	2.023	5	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.3330	0.000	1	113.6782	2.023	5	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.5600	0.000	1	113.6782	2.023	5	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|S<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.3530	0.000	1	115.3530	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.2850	0.000	1	114.7300	0.383	5	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.5913	0.619	4	114.7300	0.383	5	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.8050	0.000	1	113.9281	1.743	16	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.6330	0.000	1	113.9281	1.743	16	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.0080	0.000	1	113.9281	1.743	16	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.9692	1.185	9	113.9281	1.743	16	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.4202	1.848	4	113.9281	1.743	16	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){2|C<3>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.7550	0.000	1	114.7550	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|N<3>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.9595	0.695	2	114.1206	0.219	5	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.2280	0.391	3	114.1206	0.219	5	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.7630	0.000	1	114.9763	1.539	43	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	116.3260	0.000	1	114.9763	1.539	43	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.0150	0.000	1	114.9763	1.539	43	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.6988	0.652	4	114.9763	1.539	43	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.0806	1.163	21	114.9763	1.539	43	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<3>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.9900	0.000	1	114.9763	1.539	43	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.8233	0.958	4	114.9763	1.539	43	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	117.0750	0.770	3	114.9763	1.539	43	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.0567	1.288	4	114.9763	1.539	43	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|N<3>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.5340	0.000	1	114.9763	1.539	43	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){2|C<3>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.0595	1.317	2	114.9763	1.539	43	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.7220	0.000	1	112.7220	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.4160	0.000	1	113.4160	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.3605	1.886	12	114.3605	3.557	12	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.5090	1.049	3	113.5090	1.099	3	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	117.6000	0.000	1	117.4067	0.095	3	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	117.3100	0.365	2	117.4067	0.095	3	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.3280	0.000	1	114.1970	2.019	44	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.9433	0.941	3	114.1970	2.019	44	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.1795	0.098	2	114.1970	2.019	44	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.7360	0.402	2	114.1970	2.019	44	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.2160	0.480	3	114.1970	2.019	44	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.3775	0.958	2	114.1970	2.019	44	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.1296	1.530	18	114.1970	2.019	44	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	111.9485	0.841	2	114.1970	2.019	44	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.8360	0.000	1	114.1970	2.019	44	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	111.4810	0.000	1	114.1970	2.019	44	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	113.0670	0.000	1	114.1970	2.019	44	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.0830	1.142	8	114.1970	2.019	44	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.1530	0.000	1	116.2323	0.888	3	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	116.7720	0.167	2	116.2323	0.888	3	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	116.2780	0.000	1	116.2780	0.000	1	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.3165	0.087	2	114.3165	0.008	2	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6])(H)2	112.1925	0.250	2	112.1925	0.062	2	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(OC[6])(H)2	114.1087	0.764	3	114.1087	0.584	3	114.4792	2.215	206	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	N[5]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CN[5]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(N[5]C[5]2)(OC[6])(H)2	O(C[6]C[6]2H)(CN[5]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(N[5]C[5]2)(OC[6])(H)2	114.8332	0.658	5	114.8332	0.434	5	114.8332	0.434	5	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	N[5a]-3:O-2:H-1:H-1:	O(C[6]C[6]2H)(CN[5a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(N[5a]C[5a]2)(OC[6])(H)2	O(C[6]C[6]2H)(CN[5a]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(N[5a]C[5a]2)(OC[6])(H)2	115.0090	0.803	2	115.0090	0.645	2	115.0090	0.645	2	114.4008	1.897	375	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:3:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:C-3:H-1:	O(C[6]C[6]2H)(CC[6a]CH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(COO)(H)	O(C[6]C[6]2H)(CC[6a]CH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(COO)(H)	115.0196	0.678	5	115.0196	0.460	5	115.0196	0.460	5	115.0196	0.460	5	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:4:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:C-4:H-1:	O(C[6]C[6]2H)(CC[6a]CH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	O(C[6]C[6]2H)(CC[6a]CH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	114.7430	0.000	1	114.7430	0.000	1	114.3635	0.288	2	114.3635	0.288	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:2:4:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:C-4:H-1:	O(C[6]C[6]2H)(CC[6a]CH)	C[6](C[6]C[6]HH)2(OC)(H)	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	O(C[6]C[6]2H)(CC[6a]CH)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	113.9840	0.000	1	113.9840	0.000	1	114.3635	0.288	2	114.3635	0.288	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:3:2:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:H-1:	O(C[6]C[6,6]C[6]H)(CC[6a]2H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H)	C(C[6a]C[6a]2)2(OC[6])(H)	O(C[6]C[6,6]C[6]H)(CC[6a]2H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)2(OC[6])(H)	114.2510	0.000	1	114.2510	0.000	1	114.2510	0.000	1	114.5965	0.239	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	3:3:2:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:H-1:	O(C[6]C[6]2H)(CC[6a]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(C[6a]C[6a,6a]C[6a])2(OC[6])(H)	O(C[6]C[6]2H)(CC[6a]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])2(OC[6])(H)	114.9420	0.000	1	114.9420	0.000	1	114.9420	0.000	1	114.5965	0.239	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	C(CN[6a]HH)(OC[6])(H)2	O(C[6]C[5,6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C(CN[6a]HH)(OC[6])(H)2	117.3680	0.000	1	117.3680	0.000	1	117.3680	0.000	1	115.7602	5.032	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	C(CC[6]CH)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C(CC[6]CH)(OC[6])(H)2	115.0940	0.000	1	115.0940	0.000	1	115.9205	1.366	2	115.7602	5.032	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	C(CN[6a]HH)(OC[6])(H)2	O(C[6]C[6,6]C[6]H)(CCHH)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	C(CN[6a]HH)(OC[6])(H)2	116.7470	0.000	1	116.7470	0.000	1	115.9205	1.366	2	115.7602	5.032	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	C(CN[6a]HH)(OC[6])(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(CN[6a]HH)(OC[6])(H)2	118.6410	0.000	1	118.6410	0.000	1	115.5960	18.544	2	115.7602	5.032	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:H-1:H-1:	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	C(CO[3]HH)(OC[6])(H)2	O(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	C(CO[3]HH)(OC[6])(H)2	112.5510	0.000	1	112.5510	0.000	1	115.5960	18.544	2	115.7602	5.032	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	P[5]-4:O-2:H-1:H-1:	O(C[6]C[6]2H)(CP[5]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	C(P[5]C[5]2O)(OC[6])(H)2	O(C[6]C[6]2H)(CP[5]HH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	C(P[5]C[5]2O)(OC[6])(H)2	114.1600	0.000	1	114.1600	0.000	1	114.1600	0.000	1	115.7602	5.032	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	4:2:4:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:O-2:C-4:H-1:	O(C[6]C[6]2H)(CC[5]CH)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	O(C[6]C[6]2H)(CC[5]CH)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	116.0487	0.855	3	116.0487	0.730	3	116.0487	0.730	3	116.0487	0.730	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:1:	4:2:4:4:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C-4:O-2:C-4:C-4:	O(C[6]C[6]2H)(CC3)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	C(CBrCH)(OC[6])(CH3)2	O(C[6]C[6]2H)(CC3)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	C(CBrCH)(OC[6])(CH3)2	116.9220	0.000	1	116.9220	0.000	1	116.9220	0.000	1	116.9220	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2	C(OC[6])(H)3	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2{2|C<3>,3|C<4>}	C(OC[6])(H)3	115.9100	0.837	2	115.9100	0.701	2	116.4690	1.288	3	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH)	C(OC[6])(H)3	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH){2|C<4>,2|O<2>,3|H<1>}	C(OC[6])(H)3	117.5870	0.000	1	117.5870	0.000	1	116.4690	1.288	3	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[5]-4:C[6]-4:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5]C[6]O[6])(CH3)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(OC)	C(OC[6])(H)3	O(C[6]C[5]C[6]O[6])(CH3)	C[6](C[5]C[5]N[5]H)(C[6]C[6]HH)(O[6]C[6])(OC){1|C<3>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C(OC[6])(H)3	116.0720	0.000	2	116.0720	0.000	2	116.3017	0.158	3	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[5]-4:C[6]-4:O[6]-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5]C[6]O[6])(CH3)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC)	C(OC[6])(H)3	O(C[6]C[5]C[6]O[6])(CH3)	C[6](C[5]C[5]O[5]H)(C[6]C[6]CH)(O[6]C[6])(OC){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(OC[6])(H)3	116.7610	0.000	1	116.7610	0.000	1	116.3017	0.158	3	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)2	C(OC[6])(H)3	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C(OC[6])(H)3	119.0250	2.178	2	119.0250	4.743	2	119.0250	4.743	2	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:C-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN)(OC)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CN)(OC){1|C<4>,4|H<1>}	C(OC[6])(H)3	116.4030	0.000	1	116.4030	0.000	1	116.1045	0.178	2	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:C-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CC)(OC)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CC)(OC){1|C<4>,4|H<1>}	C(OC[6])(H)3	115.8060	0.000	1	115.8060	0.000	1	116.1045	0.178	2	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OC)2{4|H<1>,5|C<3>}	C(OC[6])(H)3	116.1055	0.036	2	116.1055	0.001	2	116.0861	0.735	33	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2{1|C<3>,2|C<4>,2|H<1>}	C(OC[6])(H)3	116.0530	1.191	2	116.0530	1.418	2	116.0861	0.735	33	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{1|C<4>,4|H<1>}	C(OC[6])(H)3	116.3780	0.000	1	116.3780	0.000	1	116.0861	0.735	33	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]OO)(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]OO)(OC)2{1|C<3>,1|C<4>,1|S<4>}	C(OC[6])(H)3	116.7250	1.742	2	116.7250	3.036	2	116.0861	0.735	33	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)(OO)	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)(OO){1|C<4>,4|H<1>}	C(OC[6])(H)3	116.4310	0.000	1	116.4310	0.000	1	116.0861	0.735	33	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{1|N<3>,4|H<1>}	C(OC[6])(H)3	116.1450	0.313	2	116.1377	0.582	14	116.0861	0.735	33	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{1|N<4>,2|C<3>,2|H<1>}	C(OC[6])(H)3	116.3615	1.043	4	116.1377	0.582	14	116.0861	0.735	33	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{1|O<2>,2|C<4>,2|H<1>}	C(OC[6])(H)3	115.8932	0.758	4	116.1377	0.582	14	116.0861	0.735	33	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{1|S<4>,4|H<1>}	C(OC[6])(H)3	115.9385	0.688	2	116.1377	0.582	14	116.0861	0.735	33	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{3|C<3>}	C(OC[6])(H)3	116.3710	1.171	2	116.1377	0.582	14	116.0861	0.735	33	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC[5])(OC)	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC[5])(OC){1|N<3>,4|H<1>}	C(OC[6])(H)3	115.7160	0.000	1	115.7160	0.000	1	116.0861	0.735	33	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HO)2(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HO)2(OC)2{4|Br<1>,1|C<3>}	C(OC[6])(H)3	117.3335	1.324	2	117.3335	1.754	2	116.0861	0.735	33	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(OC)2{1|C<4>,2|C<3>,4|H<1>}	C(OC[6])(H)3	116.0325	0.066	2	116.0325	0.004	2	116.0861	0.735	33	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2O)(CH3)	C[6](C[6]O[6]HH)2(OC)2	C(OC[6])(H)3	O(C[6]C[6]2O)(CH3)	C[6](C[6]O[6]HH)2(OC)2{1|P<4>}	C(OC[6])(H)3	115.3147	0.609	6	115.3147	0.371	6	116.0861	0.735	33	116.2654	1.138	43	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:C-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2C)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CN)(OC)	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2C)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CN)(OC){1|C<3>,1|C<4>,3|H<1>}	C(OC[6])(CHHO)(H)2	114.9660	0.000	1	114.9660	0.000	1	114.9660	0.000	1	116.4076	0.730	10	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)2	C(OC[6])(CH3)(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)2{2|C<4>,3|H<1>}	C(OC[6])(CH3)(H)2	116.7910	0.378	2	116.7910	0.143	2	116.5678	0.532	9	116.4076	0.730	10	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)2	C(OC[6])(CH3)(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)2{2|C<3>,2|H<1>}	C(OC[6])(CH3)(H)2	116.0245	1.265	2	116.0245	1.600	2	116.5678	0.532	9	116.4076	0.730	10	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	C(OC[6])(CH3)(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{2|C<3>,2|H<1>}	C(OC[6])(CH3)(H)2	116.3175	0.588	2	116.3175	0.345	2	116.5678	0.532	9	116.4076	0.730	10	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	C(OC[6])(CHHO)(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{1|C<4>,4|H<1>}	C(OC[6])(CHHO)(H)2	117.5890	0.000	1	117.5890	0.000	1	116.5678	0.532	9	116.4076	0.730	10	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	2:4:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	O-2:C-4:H-1:H-1:	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]HH)2(OC)2	C(OC[6])(CCHO)(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]HH)2(OC)2{1|C<4>,4|H<1>}	C(OC[6])(CCHO)(H)2	116.6275	0.551	2	116.6275	0.303	2	116.5678	0.532	9	116.4076	0.730	10	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	C-4:O-2:H-1:H-1:	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH)	C(CC[5,5]HH)(OC[6])(H)2	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH){1|C<3>,2|C<4>,2|H<1>}	C(CC[5,5]HH)(OC[6])(H)2	119.8045	0.156	2	119.8045	0.024	2	119.8045	0.024	2	118.0417	4.825	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	C[4,4]-4:O-2:H-1:H-1:	O(C[6]C[6]2O)(CC[4,4]HH)	C[6](C[6]C[6]HH)2(OC)2	C(C[4,4]C[4,4]C[4,6]2)(OC[6])(H)2	O(C[6]C[6]2O)(CC[4,4]HH)	C[6](C[6]C[6]HH)2(OC)2{1|C<4>,4|H<1>}	C(C[4,4]C[4,4]C[4,6]2)(OC[6])(H)2	115.2435	0.019	2	115.2435	0.000	2	117.1603	4.926	4	118.0417	4.825	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:2:2:	4:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:O-2:O-2:	C[4,4]-4:O-2:H-1:H-1:	O(C[6]C[6]2O)(CC[4,4]HH)	C[6](C[6]C[6]HH)2(OC)2	C(C[4,4]C[4,6a]2C[4,4])(OC[6])(H)2	O(C[6]C[6]2O)(CC[4,4]HH)	C[6](C[6]C[6]HH)2(OC)2{1|C<4>,4|H<1>}	C(C[4,4]C[4,6a]2C[4,4])(OC[6])(H)2	119.0770	0.284	2	119.0770	0.081	2	117.1603	4.926	4	118.0417	4.825	6	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[5,6]C[6a]C[6])(CH3)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC)	C(OC[6])(H)3	O(C[6]C[5,6]C[6a]C[6])(CH3)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC){2|C<3>,4|C<4>,6|H<1>}	C(OC[6])(H)3	116.5500	0.000	1	116.5500	0.000	1	116.5500	0.000	1	115.0692	1.104	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:3:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:C-3:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CNO)(OC)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CNO)(OC){1|C<4>,4|H<1>}	C(OC[6])(H)3	114.5757	0.441	3	114.5757	0.194	3	114.5757	0.194	3	115.0692	1.104	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:3:2:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:C-3:O-2:	O-2:O-2:H-1:H-1:	O(C[6]C[6]2C)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OC)	C(OC[6])(OC)(H)2	O(C[6]C[6]2C)(CHHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OC){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C(OC[6])(OC)(H)2	117.3100	0.000	2	117.3100	0.000	2	117.3100	0.000	2	117.3100	0.000	2	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:3:2:	4:3:2:1:	C[6]-4:C-4:	C[5]-4:C[6]-4:C[6]-3:O-2:	C[5]-4:C[6a]-3:O-2:H-1:	O(C[6]C[5]C[6]2)(CC[6a]C[5]H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	O(C[6]C[5]C[6]2)(CC[6a]C[5]H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]O)(OC){1|O<2>,4|C<4>,6|H<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	122.2750	0.000	1	122.2750	0.000	1	122.2750	0.000	1	122.2750	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6,6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6,6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OC){1|C<3>,2|C<4>,5|H<1>}	C(OC[6])(H)3	117.5300	0.000	1	117.5300	0.000	1	117.5300	0.000	1	116.8898	0.466	12	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)(OC){1|H<1>,1|O<2>,2|C<3>}	C(OC[6])(H)3	116.0730	0.000	1	116.0730	0.000	1	116.8316	0.468	11	116.8898	0.466	12	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OC){1|C<4>,2|H<1>,2|O<2>}	C(OC[6])(H)3	117.0467	1.025	3	117.0467	1.050	3	116.8316	0.468	11	116.8898	0.466	12	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CCHH)(OC){1|C<4>,4|H<1>}	C(OC[6])(H)3	117.4830	0.000	1	117.4830	0.000	1	116.8316	0.468	11	116.8898	0.466	12	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:4:2:	2:1:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:O-2:	O-2:H-1:H-1:H-1:	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CCHH)(OC)	C(OC[6])(H)3	O(C[6]C[6]2C)(CH3)	C[6](C[6]C[6]HH)2(CCHH)(OC){1|C<4>,4|H<1>}	C(OC[6])(H)3	116.7420	0.527	6	116.7420	0.278	6	116.8316	0.468	11	116.8898	0.466	12	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:4:2:	2:2:1:1:	C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:O-2:H-1:H-1:	O(C[6]C[5,6]C[6]C)(CHHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC)	C(OC[6])(OC)(H)2	O(C[6]C[5,6]C[6]C)(CHHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OC){3|C<4>,5|H<1>}	C(OC[6])(OC)(H)2	118.3830	0.000	1	118.3830	0.000	1	118.3830	0.000	1	118.2840	0.008	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:4:2:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:O-2:	O-2:O-2:H-1:H-1:	O(C[6]C[6]2C)(CHHO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C(OC[6])(OC)(H)2	O(C[6]C[6]2C)(CHHO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(OC[6])(OC)(H)2	118.2530	0.000	1	118.2530	0.000	1	118.2345	0.001	2	118.2840	0.008	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:4:2:	2:2:1:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:O-2:	O-2:O-2:H-1:H-1:	O(C[6]C[6]2C)(CHHO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC)	C(OC[6])(OC)(H)2	O(C[6]C[6]2C)(CHHO)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CH3)(OC){2|C<3>}	C(OC[6])(OC)(H)2	118.2160	0.000	1	118.2160	0.000	1	118.2345	0.001	2	118.2840	0.008	3	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:4:2:	2:4:4:1:	C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:O-2:	O-2:C-4:C-4:H-1:	O(C[6]C[6]2C)(CCCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC)	C(OC[6])(CF3)2(H)	O(C[6]C[6]2C)(CCCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OC){2|H<1>,3|C<4>}	C(OC[6])(CF3)2(H)	120.1770	0.000	1	120.1770	0.000	1	120.1770	0.000	1	120.1770	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	4:4:4:2:	3:2:1:1:	C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:O-2:	C[6a]-3:O-2:H-1:H-1:	O(C[6]C[6,6]C[6]C)(CC[6a]HH)	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CH3)(OC)	C(C[6a]C[6a]2)(OC[6])(H)2	O(C[6]C[6,6]C[6]C)(CC[6a]HH)	C[6](C[6,6]C[3x6]C[6]Cr)(C[6]C[6]HH)(CH3)(OC){3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(OC[6])(H)2	115.8455	1.144	4	115.8455	1.308	4	115.8455	1.308	4	115.8455	1.308	4	114.6236	2.882	1745	114.7732	3.037	1955
893	466	490	0:SP3_SP3_SP3	O	C[6]	C	4:4:	6:4:2:1:	2:4:1:1:	C[6]-4:C-4:	B[5x3,5x5,21x6]-6:C[6]-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(OC)(H)	C(OC[6])(CH3)(H)2	O(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(OC)(H){1|C<4>,5|B<6>,6|H<1>}	C(OC[6])(CH3)(H)2	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	114.6236	2.882	1745	114.7732	3.037	1955
893	466	542	0:SP3_SP2_SP3	O	C[6]	N[5]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:N[5]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-3:C[5]-3:O-2:	O(C[6]C[6]O[6]H)(N[5]C[5]2)	C[6](C[6]C[6]HH)(O[6]C[6])(ON[5])(H)	N[5](C[5]C[5]C)(C[5]S[5]S)(OC[6])	O(C[6]C[6]O[6]H)(N[5]C[5]2)	C[6](C[6]C[6]HH)(O[6]C[6])(ON[5])(H){1|C<4>,4|H<1>}	N[5](C[5]C[5]C)(C[5]S[5]S)(OC[6]){1|H<1>}	112.3540	0.000	1	112.3540	0.000	1	111.5328	1.238	4	111.5328	1.238	4	111.5828	0.941	5	111.5828	0.941	5
893	466	542	0:SP3_SP2_SP3	O	C[6]	N[5]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:N[5]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-3:C[5]-3:O-2:	O(C[6]C[6]O[6]H)(N[5]C[5]2)	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H)	N[5](C[5]C[5]O)2(OC[6])	O(C[6]C[6]O[6]H)(N[5]C[5]2)	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H){1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[5]O)2(OC[6]){4|H<1>}	109.9120	0.000	1	109.9120	0.000	1	111.5328	1.238	4	111.5328	1.238	4	111.5828	0.941	5	111.5828	0.941	5
893	466	542	0:SP3_SP2_SP3	O	C[6]	N[5]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:N[5]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-3:C[5]-3:O-2:	O(C[6]C[6]O[6]H)(N[5]C[5]2)	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H)	N[5](C[5]C[5,6a]O)2(OC[6])	O(C[6]C[6]O[6]H)(N[5]C[5]2)	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H){1|C<4>,1|O<2>,3|H<1>}	N[5](C[5]C[5,6a]O)2(OC[6]){2|C<3>}	111.9325	0.308	2	111.9325	0.095	2	111.5328	1.238	4	111.5328	1.238	4	111.5828	0.941	5	111.5828	0.941	5
893	466	542	0:SP3_SP2_SP3	O	C[6]	N[5]	4:3:	4:4:2:1:	3:3:2:	C[6]-4:N[5]-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-3:C[5]-3:O-2:	O(C[6]C[6]2H)(N[5]C[5]2)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H)	N[5](C[5]C[5,6a]O)2(OC[6])	O(C[6]C[6]2H)(N[5]C[5]2)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6a]O)2(OC[6]){2|C<3>}	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	111.5828	0.941	5	111.5828	0.941	5
893	466	542	0:SP3_SP3_SP3	O	C[6]	N[5]	4:3:	4:4:2:1:	4:4:2:	C[6]-4:N[5]-3:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-4:O-2:	O(C[6]C[6]2H)(N[5]C[5]2)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H)	N[5](C[5]C[5,6a]CC)2(OC[6])	O(C[6]C[6]2H)(N[5]C[5]2)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H){2|C<4>,3|H<1>}	N[5](C[5]C[5,6a]CC)2(OC[6]){2|C<3>}	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1
893	466	643	0:SP2_SP2_SP3	O	C[3x6]	C[6a]	4:3:	3:3:3:2:	3:3:2:	C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[3x6])	O(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(OC[3x6]){1|C<3>,2|H<1>}	122.9755	0.848	2	122.9755	0.719	2	122.9755	0.719	2	122.9755	0.719	2	122.9755	0.719	2	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6,6]	C[6a]	4:3:	4:2:4:2:	3:3:2:	C[6,6]-4:C[6a]-3:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]2)	C[6,6](C[6,6]O[6]2O)(O[6]C[6,6a])(C[6]C[6]HH)(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]2)	C[6,6](C[6,6]O[6]2O)(O[6]C[6,6a])(C[6]C[6]HH)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6,6]){2|Cl<1>,1|C<3>}	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	118.5690	1.854	4	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6,6]	C[6a]	4:3:	4:4:2:1:	3:3:2:	C[6,6]-4:C[6a]-3:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6,6]C[3x6]2H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]2H)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6,6])	O(C[6,6]C[3x6]2H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]2H)2(OC[6a])(H){2|C<4>,8|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6,6]){1|C<3>,2|H<1>}	119.4270	0.000	1	119.4270	0.000	1	119.4270	0.000	1	119.2460	0.031	3	118.5690	1.854	4	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6,6]	C[6a]	4:3:	4:4:2:1:	3:3:2:	C[6,6]-4:C[6a]-3:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6,6])	O(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H){3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6,6]){1|C<3>,2|H<1>}	119.1555	0.115	2	119.1555	0.013	2	119.1555	0.013	2	119.2460	0.031	3	118.5690	1.854	4	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	3:3:2:2:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-3:C[6]-3:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6](C[6]C[6,6a]O)2(OC[6a])2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6](C[6]C[6,6a]O)2(OC[6a])2{3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,4|C<3>}	116.0980	3.138	2	116.0980	9.848	2	116.0980	9.848	2	116.0980	9.848	2	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	3:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	118.3590	0.000	1	118.3590	0.000	1	118.3590	0.000	1	118.3590	0.000	1	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:2:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC[6])	O(C[6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,2|C<4>}	120.6870	0.000	1	120.6870	0.000	1	120.6870	0.000	1	118.1054	4.227	5	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:2:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC[6])	O(C[6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(OC[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.2980	0.000	1	119.2980	0.000	1	119.2980	0.000	1	118.1054	4.227	5	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:2:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6])	O(C[6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	116.3430	0.000	1	116.3430	0.000	1	116.3430	0.000	1	118.1054	4.227	5	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:2:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6]){1|O<1>,2|C<3>,2|O<2>}	117.0995	1.921	2	117.0995	3.691	2	117.0995	3.691	2	118.1054	4.227	5	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:3:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC[6a])(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC[6a])(H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	117.4490	0.000	1	117.4490	0.000	1	117.6036	2.647	9	118.0431	4.285	10	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:3:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,1|O<2>}	117.6970	0.000	1	117.6970	0.000	1	117.6036	2.647	9	118.0431	4.285	10	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:3:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	115.8880	0.000	1	115.8880	0.000	1	117.6036	2.647	9	118.0431	4.285	10	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:3:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	115.6715	1.491	2	115.6715	2.224	2	117.6036	2.647	9	118.0431	4.285	10	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:3:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|H<1>,2|C<3>}	118.6910	0.000	1	118.6910	0.000	1	117.6036	2.647	9	118.0431	4.285	10	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:3:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H){1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	118.5920	0.000	1	118.5920	0.000	1	117.6036	2.647	9	118.0431	4.285	10	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:3:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	119.3860	0.000	2	119.3860	0.000	2	117.6036	2.647	9	118.0431	4.285	10	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:3:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:H-1:	N[5a,6a]-3:C[6a]-3:O-2:	O(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC[6a])(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6])	O(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>,2|N<2>}	121.9990	0.000	1	121.9990	0.000	1	121.9990	0.000	1	118.0431	4.285	10	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:3:2:2:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC[6a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC[6a])(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,4|C<3>}	118.4850	0.000	1	118.4850	0.000	1	118.4850	0.000	1	118.3650	0.029	2	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:3:2:2:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC[6a])(OSi)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC[6a])(OSi){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6]){1|Cl<1>,1|C<2>,1|C<3>}	118.2450	0.000	1	118.2450	0.000	1	118.2450	0.000	1	118.3650	0.029	2	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	2:2:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]N[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6a](N[6a]C[6a])2(OC[6])	O(C[6a]N[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(OC[6]){1|N<2>,2|O<2>}	118.7583	0.923	3	118.7583	0.853	3	118.7583	0.853	3	118.7583	0.853	3	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	2:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){2|C<4>,3|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>}	118.6725	0.793	2	118.6725	0.628	2	118.6725	0.628	2	118.6725	0.628	2	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:2:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6])	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|N<3>,4|C<4>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6]){1|C<2>,1|C<3>,1|O<2>}	118.3420	0.000	1	118.3420	0.000	1	118.3420	0.000	1	118.3420	0.000	1	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6]){2|H<1>,3|C<3>}	119.2490	0.000	1	119.2490	0.000	1	119.2490	0.000	1	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6]){2|H<1>,3|C<3>}	119.4815	1.175	2	119.4815	1.379	2	119.2492	0.481	5	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6]){1|H<1>,3|C<3>}	119.0943	0.427	3	119.0943	0.183	3	119.2492	0.481	5	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	119.5795	0.275	2	119.5795	0.076	2	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	120.8220	0.000	1	120.8220	0.000	1	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6]){1|C<3>,1|H<1>,1|O<2>}	118.7515	0.411	2	118.7515	0.169	2	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<4>,1|N<3>,1|O<1>}	121.3667	1.735	4	121.3667	3.010	4	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	117.0800	0.000	1	117.0800	0.000	1	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>}	118.7390	0.784	4	118.7390	0.614	4	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	117.3985	3.891	2	117.3985	15.142	2	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	115.3720	0.000	1	115.3720	0.000	1	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	116.7450	3.364	2	116.7450	11.319	2	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	119.9853	1.072	6	119.9853	1.150	6	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){1|C<4>,1|S<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6]){1|Br<1>,1|C<3>,1|H<1>}	122.2420	0.000	1	122.2420	0.000	1	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	119.5130	0.000	1	119.5130	0.000	1	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|N<3>,4|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6]){1|C<3>,1|F<1>,1|O<2>}	116.6320	0.000	1	117.6647	1.258	3	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|N<3>,4|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OC[6]){1|C<3>,2|O<2>}	118.1810	0.957	2	117.6647	1.258	3	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|N<3>,4|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6]){1|C<3>,1|O<2>}	114.8290	0.000	1	114.8290	0.000	1	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6a](C[6a]C[6a]F)2(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|N<3>,4|C<4>}	C[6a](C[6a]C[6a]F)2(OC[6]){1|C<3>,1|F<1>,1|O<2>}	117.0270	0.000	1	116.0933	1.269	3	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6a](C[6a]C[6a]F)2(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|N<3>,4|C<4>}	C[6a](C[6a]C[6a]F)2(OC[6]){1|C<3>,2|F<1>}	114.8420	0.000	1	116.0933	1.269	3	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6a](C[6a]C[6a]F)2(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|N<3>,4|C<4>}	C[6a](C[6a]C[6a]F)2(OC[6]){1|C<3>,2|O<2>}	116.4110	0.000	1	116.0933	1.269	3	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	118.7460	0.436	2	118.7460	0.190	2	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H)	C[6a](C[6a]C[6a]N)2(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N)2(OC[6]){1|C<3>,2|H<1>}	120.1850	0.068	2	120.1850	0.005	2	118.7968	4.691	38	118.8585	4.106	44	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:2:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6a])2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6a])2{1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6]){2|H<1>,3|C<3>}	117.9870	0.304	2	117.9870	0.092	2	117.9870	0.092	2	117.9870	0.092	2	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:4:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(CH3){2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	118.0610	0.000	1	118.0610	0.000	1	121.0195	17.505	2	121.0195	17.505	2	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	3:4:	4:4:2:4:	3:3:2:	C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(OC[6a])(CCCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6])	O(C[6a]C[6a]2)(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(OC[6a])(CCCH){1|C<3>,3|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,1|H<1>,1|N<3>}	123.9780	0.000	1	123.9780	0.000	1	121.0195	17.505	2	121.0195	17.505	2	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	3:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-3:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C)(O[6]C[6])(OC[6a])(H){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	119.1660	0.000	1	119.1660	0.000	1	116.8950	10.315	2	116.8950	10.315	2	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	3:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-3:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]O)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]O)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	114.6240	0.000	1	114.6240	0.000	1	116.8950	10.315	2	116.8950	10.315	2	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	3:3:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6])	O(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6]){1|N<2>,2|C<3>,3|H<1>}	120.8340	0.000	1	120.8340	0.000	1	120.8340	0.000	1	118.0295	15.730	2	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	3:3:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	O(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	115.2250	0.000	1	115.2250	0.000	1	115.2250	0.000	1	118.0295	15.730	2	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	3:3:2:4:	3:3:2:	C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:C-4:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6])	O(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>}	119.6690	0.000	1	119.6690	0.000	1	119.6690	0.000	1	119.6690	0.000	1	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	117.6540	0.576	2	117.6540	0.331	2	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]Cl)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	118.0855	0.954	2	118.0855	0.910	2	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OC[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2700	0.000	1	120.2700	0.000	1	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6]){1|Cl<1>,1|C<3>,1|H<1>}	118.1860	0.000	1	118.1860	0.000	1	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	119.1740	0.919	3	119.1740	0.845	3	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,1|N<3>}	118.6270	0.000	1	118.6270	0.000	1	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	119.5880	0.000	1	116.3988	4.157	5	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OC[6]){1|C<3>,1|C<4>,1|O<2>}	115.6015	1.142	4	116.3988	4.157	5	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,1|O<2>}	119.5380	0.000	1	119.9265	0.332	11	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|O<2>}	120.1530	0.000	1	119.9265	0.332	11	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|O<2>}	119.9444	0.624	9	119.9265	0.332	11	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	118.8970	0.862	5	118.8970	0.743	5	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	117.5240	0.870	3	117.5240	0.757	3	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC[6]){1|C<3>,2|H<1>}	119.7170	1.462	2	119.7170	2.138	2	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	116.8603	1.818	3	116.8603	3.307	3	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	118.0310	0.000	1	117.7957	1.218	35	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<2>,1|C<3>,1|H<1>}	117.9440	0.000	1	117.7957	1.218	35	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	117.7885	1.148	31	117.7957	1.218	35	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]H)2(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6]){1|H<1>,2|C<3>}	117.7160	1.342	2	117.7957	1.218	35	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	114.7860	0.000	1	114.7860	0.000	1	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]O)2(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]O)2(OC[6]){1|C<3>,2|H<1>}	116.0960	0.000	1	116.0960	0.000	1	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC[6])	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC[6]){4|C<3>}	114.9640	1.328	10	114.9640	1.763	10	117.7641	3.227	86	117.7641	3.227	86	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:3:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6])	O(C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6]){1|C<4>,2|C<3>,3|H<1>}	121.2020	0.000	1	121.2020	0.000	1	121.2020	0.000	1	121.2020	0.000	1	118.1858	3.883	167	118.2501	4.050	173
893	466	643	0:SP2_SP2_SP3	O	C[6]	C[6a]	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C[6a]-3:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6])	O(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H){2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|F<1>}	120.6090	0.000	1	120.6090	0.000	1	120.6090	0.000	1	120.6090	0.000	1	118.1858	3.883	167	118.2501	4.050	173
893	466	727	0:SP2_SP2_SP3	O	C[6]	C[5a]	3:4:	4:2:2:1:	3:3:2:	C[5a]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	O(C[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(OC[6])	O(C[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(OC[6]){1|Br<1>,3|C<3>}	114.5960	0.385	2	114.6337	0.078	3	114.6337	0.078	3	114.6337	0.078	3	114.6337	0.078	3	114.6337	0.078	3
893	466	727	0:SP2_SP2_SP3	O	C[6]	C[5a]	3:4:	4:2:2:1:	3:3:2:	C[5a]-3:C[6]-4:	C[6]-4:O[6]-2:O-2:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	O(C[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(OC[6])	O(C[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(OC[6]){1|H<1>,3|C<3>}	114.7090	0.000	1	114.6337	0.078	3	114.6337	0.078	3	114.6337	0.078	3	114.6337	0.078	3	114.6337	0.078	3
893	466	762	0:SP2_SP2_SP3	O	C[6]	C[6]	3:4:	4:4:2:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-3:O-2:	O(C[6]C[6,6a]C[6])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6])	O(C[6]C[6,6a]C[6])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(OC[6])(H){1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6]){1|H<1>,4|C<3>}	119.0045	0.726	2	119.0045	0.527	2	119.0045	0.527	2	119.0045	0.527	2	120.3438	5.644	10	120.3438	5.644	10
893	466	762	0:SP2_SP2_SP3	O	C[6]	C[6]	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(OC[6])(H)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	O(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(OC[6])(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|Br<1>,1|C<3>,1|O<1>}	121.6680	4.760	2	120.5132	10.067	4	120.6786	6.541	8	120.6786	6.541	8	120.3438	5.644	10	120.3438	5.644	10
893	466	762	0:SP2_SP2_SP3	O	C[6]	C[6]	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(OC[6])(H)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	O(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(OC[6])(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|C<3>,1|O<1>,1|O<2>}	119.3585	1.486	2	120.5132	10.067	4	120.6786	6.541	8	120.6786	6.541	8	120.3438	5.644	10	120.3438	5.644	10
893	466	762	0:SP2_SP2_SP3	O	C[6]	C[6]	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(OC[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	O(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(OC[6])(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|C<3>,1|O<1>,1|O<2>}	119.6015	0.514	2	120.8440	5.122	4	120.6786	6.541	8	120.6786	6.541	8	120.3438	5.644	10	120.3438	5.644	10
893	466	762	0:SP2_SP2_SP3	O	C[6]	C[6]	4:3:	4:4:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(OC[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	O(C[6]C[6]2H)(C[6]C[6]2)	C[6](C[6]C[6]HH)2(OC[6])(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|Cl<1>,1|C<3>,1|O<1>}	122.0865	2.988	2	120.8440	5.122	4	120.6786	6.541	8	120.6786	6.541	8	120.3438	5.644	10	120.3438	5.644	10
893	466	770	0:SP2_SP2_SP3	O	C[6]	B	4:3:	4:4:2:1:	3:3:2:	C[6]-4:B-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C-3:O-2:	O(C[6]C[6]2H)(BC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H)	B(C[6a]C[6a]2)(CC[6a]C)(OC[6])	O(C[6]C[6]2H)(BC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H){1|C<4>,4|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(OC[6])	124.2430	0.000	1	124.2430	0.000	1	124.2430	0.000	1	124.2430	0.000	1	124.2430	0.000	1	124.2430	0.000	1
893	466	786	0:SP3_SP3_SP3	O	C[6]	B[5]	4:4:	4:4:2:1:	3:3:2:2:	B[5]-4:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:N[5]-3:O-2:O-2:	O(B[5]C[5,6a]N[5]O)(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OB[5])(OC[6])	O(B[5]C[5,6a]N[5]O)(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OB[5])(OC[6]){2|C<3>,2|C<4>,3|H<1>}	119.0775	0.327	4	119.0775	0.107	4	119.0775	0.107	4	119.0775	0.107	4	119.0775	0.107	4	119.0775	0.107	4
893	466	813	0:SP3_SP2_SP3	O	C[6]	N[5a]	4:3:	3:4:2:2:	3:3:2:	C[6]-4:N[5a]-3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[5a]-3:C[5a]-3:O-2:	O(C[6]C[6a]C[6]O[6])(N[5a]C[5a]2)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC[6])	O(C[6]C[6a]C[6]O[6])(N[5a]C[5a]2)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC[6]){3|C<3>}	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1
893	466	818	0:SP2_SP2_SP3	O	C[6]	C[5]	3:4:	4:4:2:1:	3:2:2:	C[5]-3:C[6]-4:	C[6]-4:C[6]-4:O-2:H-1:	C[5,6a]-3:N[5]-2:O-2:	O(C[5]C[5,6a]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6])	O(C[5]C[5,6a]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H){1|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6]){1|H<1>,2|C<3>,2|O<1>}	117.1650	0.008	2	117.1650	0.000	2	117.1650	0.000	2	117.1650	0.000	2	117.1787	0.001	3	117.1787	0.001	3
893	466	818	0:SP2_SP2_SP3	O	C[6]	C[5]	4:3:	4:2:2:1:	3:3:2:	C[6]-4:C[5]-3:	C[5,6]-4:O[6]-2:O-2:H-1:	C[5]-3:C[5]-3:O-2:	O(C[6]C[5,6]O[6]H)(C[5]C[5]2)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC[5])(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OC[6])	O(C[6]C[5,6]O[6]H)(C[5]C[5]2)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC[5])(H){4|C<4>,4|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(OC[6]){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	117.2060	0.000	1	117.2060	0.000	1	117.2060	0.000	1	117.2060	0.000	1	117.1787	0.001	3	117.1787	0.001	3