893	466	941	0:SP2_SP2_SP3	O	C[6]	N	4:2:	4:4:2:1:	3:2:	C[6]-4:N-2:	C[6]-4:C[6]-4:O-2:H-1:	C-3:O-2:	O(C[6]C[6]2H)(NC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H)	N(CC[6a]H)(OC[6])	O(C[6]C[6]2H)(NC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	N(CC[6a]H)(OC[6])	109.1315	0.159	2	109.1315	0.025	2	109.1315	0.025	2	109.1315	0.025	2	109.9143	1.851	3	109.9143	1.851	3
893	466	941	0:SP2_SP2_SP3	O	C[6]	N	4:2:	4:4:4:2:	3:2:	C[6]-4:N-2:	C[6]-4:C[6]-4:C-4:O-2:	C-3:O-2:	O(C[6]C[6]2C)(NC)	C[6](C[6]C[6]HH)2(CHHO)(ON)	N(CC[6a]H)(OC[6])	O(C[6]C[6]2C)(NC)	C[6](C[6]C[6]HH)2(CHHO)(ON){1|C<4>,4|H<1>}	N(CC[6a]H)(OC[6])	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	109.9143	1.851	3	109.9143	1.851	3
893	466	945	0:SP3_SP3_SP3	O	C[6]	P	4:3:	4:4:2:1:	3:2:1:	C[6]-4:P-3:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:O-2:O-1:	O(C[6]C[6]2H)(PC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	P(C[6a]C[6a,6a]C[6a])(OC[6])(O)	O(C[6]C[6]2H)(PC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	P(C[6a]C[6a,6a]C[6a])(OC[6])(O)	122.6430	0.000	1	122.6430	0.000	1	122.6430	0.000	1	122.6430	0.000	1	121.5215	2.516	2	121.5215	2.516	2
893	466	945	0:SP3_SP3_SP3	O	C[6]	P	4:3:	4:4:2:1:	3:3:2:	C[6]-4:P-3:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(C[6]C[5,6]C[6]H)(PC[6a]2)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	P(C[6a]C[6a]2)2(OC[6])	O(C[6]C[5,6]C[6]H)(PC[6a]2)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	P(C[6a]C[6a]2)2(OC[6])	120.4000	0.000	1	120.4000	0.000	1	120.4000	0.000	1	120.4000	0.000	1	121.5215	2.516	2	121.5215	2.516	2
893	466	950	0:SP3_SP3_SPD5	O	C[6]	P	4:5:	4:4:2:1:	2:2:2:2:2:	C[6]-4:P-5:	C[6]-4:C[6]-4:O-2:H-1:	O-2:O-2:O-2:O-2:O-2:	O(C[6]C[6]2H)(PO4)	C[6](C[6]C[6]HH)2(OP)(H)	P(OC[6])5	O(C[6]C[6]2H)(PO4)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	P(OC[6])5	127.6603	1.922	19	127.6603	3.693	19	127.6603	3.693	19	127.6603	3.693	19	127.6603	3.693	19	127.6603	3.693	19
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	3:3:4:2:	2:	C[3x6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	O-2:	O(C[3x6]C[6,6,6a]2C[5,6,6])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH)	H(OC[3x6])	O(C[3x6]C[6,6,6a]2C[5,6,6])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(OC[3x6])	109.9540	0.000	1	109.9540	0.000	1	109.9540	0.000	1	109.9540	0.000	1	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:2:4:2:	2:	C[3x6]-4:H-1:	C[4x6]-4:O[6,6]-2:C[6]-4:O-2:	O-2:	O(C[3x6]C[4x6]O[6,6]C[6])(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[4x6]O[6,6]C[6])(H)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(O[6,6]C[4x6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,5|H<1>}	H(OC[3x6])	109.4483	0.055	6	109.4483	0.003	6	109.4483	0.003	6	109.4483	0.003	6	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:3:2:2:	2:	C[3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-3:O[6,6]-2:O-2:	O-2:	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH)	H(OC[3x6])	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]O)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(OC[3x6])	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:3:3:2:	2:	C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:O-2:	O-2:	O(C[3x6]C[3x6]C[6,6]2)(H)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	H(OC[3x6])	O(C[3x6]C[3x6]C[6,6]2)(H)	C[3x6](C[3x6]C[3x6]C[6]C)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,2|C<4>,4|H<1>}	H(OC[3x6])	109.4900	0.000	1	109.4900	0.000	1	109.4900	0.000	1	108.8702	25.704	17	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:3:3:2:	2:	C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	O-2:	O(C[3x6]C[5,6,6]C[6,6]2)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	H(OC[3x6])	O(C[3x6]C[5,6,6]C[6,6]2)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(OC[3x6])	109.4735	0.030	2	109.4735	0.001	2	109.4735	0.001	2	108.8702	25.704	17	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:3:3:2:	2:	C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	O-2:	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	H(OC[3x6])	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[3x6])	101.0555	0.788	2	101.0555	0.622	2	108.1837	29.470	13	108.8702	25.704	17	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:3:3:2:	2:	C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:O-2:	O-2:	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH)	H(OC[3x6])	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(OH){1|C<4>,3|H<1>}	H(OC[3x6])	109.4797	4.826	11	109.4797	23.291	11	108.1837	29.470	13	108.8702	25.704	17	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:3:3:2:	2:	C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:O-2:	O-2:	O(C[3x6]C[6,6]2N[6,6])(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(OH)	H(OC[3x6])	O(C[3x6]C[6,6]2N[6,6])(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(OH){1|O<1>,2|C<4>,2|H<1>}	H(OC[3x6])	115.9690	0.000	1	115.9690	0.000	1	115.9690	0.000	1	108.8702	25.704	17	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:2:2:	2:	C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[3x6]C[3x6]C[6,6]O[6,6])(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	H(OC[3x6])	O(C[3x6]C[3x6]C[6,6]O[6,6])(H)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|O<2>,4|C<4>,5|H<1>}	H(OC[3x6])	109.4680	0.000	1	109.4680	0.000	1	107.9400	4.670	2	108.8119	10.913	28	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:2:2:	2:	C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[3x6]C[3x6]C[6,6]O[6,6])(H)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(OH)	H(OC[3x6])	O(C[3x6]C[3x6]C[6,6]O[6,6])(H)	C[3x6](C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>}	H(OC[3x6])	106.4120	0.000	1	106.4120	0.000	1	107.9400	4.670	2	108.8119	10.913	28	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:2:2:	2:	C[3x6]-4:H-1:	C[4x6]-4:C[6]-4:O[6,6]-2:O-2:	O-2:	O(C[3x6]C[4x6]O[6,6]C[6])(H)	C[3x6](C[4x6]C[6,6,6a]C[4x6]O)(C[6]C[6,6]HH)(O[6,6]C[3x6])(OH)	H(OC[3x6])	O(C[3x6]C[4x6]O[6,6]C[6])(H)	C[3x6](C[4x6]C[6,6,6a]C[4x6]O)(C[6]C[6,6]HH)(O[6,6]C[3x6])(OH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(OC[3x6])	109.4555	0.088	2	109.4555	0.008	2	109.4555	0.008	2	108.8119	10.913	28	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:2:2:	2:	C[3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	H(OC[3x6])	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(OC[3x6])	108.1343	6.371	5	108.8770	21.316	11	108.8770	21.316	11	108.8119	10.913	28	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:2:2:	2:	C[3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	H(OC[3x6])	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(OC[3x6])	109.4080	0.000	1	108.8770	21.316	11	108.8770	21.316	11	108.8119	10.913	28	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:2:2:	2:	C[3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	H(OC[3x6])	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(OC[3x6])	109.7682	3.849	4	108.8770	21.316	11	108.8770	21.316	11	108.8119	10.913	28	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:2:2:	2:	C[3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH)	H(OC[3x6])	O(C[3x6]C[5,3x6]C[6,6]O[6,6])(H)	C[3x6](C[5,3x6]C[3x6]C[5,6]C[5])(C[6,6]C[3x6]HO)(O[6,6]C[6,6])(OH){1|C<3>,2|O<2>,4|C<4>,6|H<1>}	H(OC[3x6])	108.4950	0.000	1	108.8770	21.316	11	108.8770	21.316	11	108.8119	10.913	28	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:2:2:	2:	C[3x6]-4:H-1:	C[5,4x6]-4:C[6,6]-4:O[6]-2:O-2:	O-2:	O(C[3x6]C[5,4x6]C[6,6]O[6])(H)	C[3x6](C[5,4x6]C[5,5,3x6]C[6,6]N[5])(C[6,6]C[4x6]HH)(O[6]C[6])(OH)	H(OC[3x6])	O(C[3x6]C[5,4x6]C[6,6]O[6])(H)	C[3x6](C[5,4x6]C[5,5,3x6]C[6,6]N[5])(C[6,6]C[4x6]HH)(O[6]C[6])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(OC[3x6])	109.3810	0.000	1	109.3810	0.000	1	109.3810	0.000	1	108.8119	10.913	28	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:2:2:	2:	C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	H(OC[3x6])	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(OC[3x6])	109.3380	0.211	3	109.3380	0.044	3	107.2742	17.066	4	108.8119	10.913	28	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:2:2:	2:	C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(OH)	H(OC[3x6])	O(C[3x6]C[5,6,6]C[6,6]O[6,6])(H)	C[3x6](C[5,6,6]C[5,3x6]C[5]C)(C[6,6]C[6,6]HO)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(OC[3x6])	101.0830	0.000	1	101.0830	0.000	1	107.2742	17.066	4	108.8119	10.913	28	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:2:2:	2:	C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	H(OC[3x6])	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){2|C<4>,5|H<1>}	H(OC[3x6])	109.4930	0.000	1	109.4930	0.000	1	109.4771	1.413	8	108.8119	10.913	28	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:2:2:	2:	C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH)	H(OC[3x6])	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(OH){3|C<4>,4|H<1>}	H(OC[3x6])	109.9765	2.886	2	109.9765	8.327	2	109.4771	1.413	8	108.8119	10.913	28	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:2:2:	2:	C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH)	H(OC[3x6])	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]CH)2(O[6,6]C[3x6])(OH){1|H<1>,2|O<2>,3|C<4>}	H(OC[3x6])	108.4510	0.000	1	108.4510	0.000	1	109.4771	1.413	8	108.8119	10.913	28	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:2:2:	2:	C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(OH)	H(OC[3x6])	O(C[3x6]C[6,6]2O[6,6])(H)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(O[6,6]C[3x6])(OH){2|C<4>,2|H<1>,2|O<2>}	H(OC[3x6])	109.4800	0.058	4	109.4800	0.003	4	109.4771	1.413	8	108.8119	10.913	28	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:3:2:	2:	C[3x6]-4:H-1:	C[3x6]-4:C[4,6,6]-4:C[6]-3:O-2:	O-2:	O(C[3x6]C[4,6,6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6]O)(OH)	H(OC[3x6])	O(C[3x6]C[4,6,6]C[3x6]C[6])(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,5|H<1>}	H(OC[3x6])	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	110.1947	4.474	7	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:3:2:	2:	C[3x6]-4:H-1:	C[5,4x6]-4:C[6,6]-4:N[6]-3:O-2:	O-2:	O(C[3x6]C[5,4x6]C[6,6]N[6])(H)	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH)	H(OC[3x6])	O(C[3x6]C[5,4x6]C[6,6]N[6])(H)	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH){1|C<3>,5|C<4>,6|H<1>}	H(OC[3x6])	109.4660	0.000	1	109.4660	0.000	1	109.4660	0.000	1	110.1947	4.474	7	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:3:2:	2:	C[3x6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[6]-3:O-2:	O-2:	O(C[3x6]C[5,6,6]C[3x6]C[6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]C)(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]O)(OH)	H(OC[3x6])	O(C[3x6]C[5,6,6]C[3x6]C[6])(H)	C[3x6](C[5,6,6]C[5,6]O[5,6]C)(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]O)(OH){2|H<1>,3|O<2>,5|C<4>}	H(OC[3x6])	109.4975	0.053	2	109.4975	0.003	2	109.4975	0.003	2	110.1947	4.474	7	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:3:2:	2:	C[3x6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:O-2:	O-2:	O(C[3x6]C[5,6,6]C[6,6]2)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH)	H(OC[3x6])	O(C[3x6]C[5,6,6]C[6,6]2)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[4x6]HO)(C[6,6]C[3x6]C)(OH){1|N<3>,4|C<4>,5|H<1>}	H(OC[3x6])	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	110.1947	4.474	7	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:3:2:	2:	C[3x6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:O-2:	O-2:	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[6,6]C[6,6a]C[6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]H)(OH)	H(OC[3x6])	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[6,6]C[6,6a]C[6]H)(C[3x6]C[6]O[6]2)(C[6]C[6]H)(OH){1|C<4>,3|C<3>,5|H<1>}	H(OC[3x6])	111.9675	4.248	2	111.9675	18.042	2	111.9675	18.042	2	110.1947	4.474	7	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[5,6,6]C[6]O)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[5,6,6]C[6]O)(C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(OH){1|O<1>,2|H<1>,3|O<2>,5|C<4>}	H(OC[3x6])	109.4890	0.000	1	109.4890	0.000	1	111.9595	92.612	6	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,9|H<1>}	H(OC[3x6])	109.4730	0.000	1	109.4730	0.000	1	111.9595	92.612	6	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){2|C<3>,3|C<4>,8|H<1>}	H(OC[3x6])	102.9940	0.000	1	106.2505	21.210	2	111.9595	92.612	6	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){2|C<4>,4|C<3>,6|H<1>}	H(OC[3x6])	109.5070	0.000	1	106.2505	21.210	2	111.9595	92.612	6	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6a]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){10|H<1>,2|C<3>,2|C<4>}	H(OC[3x6])	130.8780	0.000	1	130.8780	0.000	1	111.9595	92.612	6	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[3x6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6]2N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){10|H<1>,1|C<3>,3|C<4>}	H(OC[3x6])	109.4160	0.000	1	109.4160	0.000	1	111.9595	92.612	6	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[4x6]-4:C[4x6]-4:C-4:O-2:	O-2:	O(C[3x6]C[4x6]2C)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH)	H(OC[3x6])	O(C[3x6]C[4x6]2C)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHOP)(OH){1|C<3>,2|C<4>,5|H<1>}	H(OC[3x6])	103.8660	0.000	1	103.8660	0.000	1	103.8660	0.000	1	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[4x6]2C[6])(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[4x6]2C[6])(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH){1|C<2>,1|C<3>,1|O<2>,4|C<4>,8|H<1>}	H(OC[3x6])	109.5710	0.000	1	109.5175	0.006	2	109.5175	0.006	2	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[4x6]2C[6])(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[4x6]2C[6])(H)	C[3x6](C[4x6]C[6,6]C[6x6]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	H(OC[3x6])	109.4640	0.000	1	109.5175	0.006	2	109.5175	0.006	2	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:	O(C[3x6]C[4x6]C[6,6]2)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[4x6]C[6,6]2)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH){1|O<2>,5|C<4>,9|H<1>}	H(OC[3x6])	109.4275	0.036	2	111.1290	8.686	3	111.1290	8.686	3	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:	O(C[3x6]C[4x6]C[6,6]2)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[4x6]C[6,6]2)(H)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[6,6]C[6]C)(C[6,6]C[3x6]HH)(OH){2|O<2>,5|C<4>,8|H<1>}	H(OC[3x6])	114.5320	0.000	1	111.1290	8.686	3	111.1290	8.686	3	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[4x6]C[6,6]C[6])(H)	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[4x6]C[6,6]C[6])(H)	C[3x6](C[4x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	H(OC[3x6])	109.5580	0.000	1	109.5580	0.000	1	109.5095	0.005	2	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[4x6]C[6,6]C[6])(H)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[4x6]C[6,6]C[6])(H)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,9|H<1>}	H(OC[3x6])	109.4610	0.000	1	109.4610	0.000	1	109.5095	0.005	2	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(OC[3x6])	109.5060	0.000	1	109.3062	1.489	10	109.3062	1.489	10	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(OC[3x6])	109.4490	0.000	1	109.3062	1.489	10	109.3062	1.489	10	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	H(OC[3x6])	108.9767	0.845	3	109.3062	1.489	10	109.3062	1.489	10	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(OC[3x6])	106.9960	0.000	1	109.3062	1.489	10	109.3062	1.489	10	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	H(OC[3x6])	109.4570	0.028	2	109.3062	1.489	10	109.3062	1.489	10	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[5,3x6]C[6,6]C[6])(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	H(OC[3x6])	110.6335	1.636	2	109.3062	1.489	10	109.3062	1.489	10	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	H(OC[3x6])	109.5010	0.000	1	109.4656	0.001	5	108.9393	1.662	6	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,5|C<4>,8|H<1>}	H(OC[3x6])	109.4530	0.000	1	109.4656	0.001	5	108.9393	1.662	6	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(C[6]C[6]HH)(OH){1|N<2>,6|H<1>,7|C<4>}	H(OC[3x6])	109.4580	0.023	3	109.4656	0.001	5	108.9393	1.662	6	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[5,4x6]-4:C[4x6]-4:C[6]-4:O-2:	O-2:	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH)	H(OC[3x6])	O(C[3x6]C[5,4x6]C[4x6]C[6])(H)	C[3x6](C[5,4x6]C[5,6,6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]O)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,6|C<4>,7|H<1>}	H(OC[3x6])	106.3080	0.000	1	106.3080	0.000	1	108.9393	1.662	6	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OH)	H(OC[3x6])	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]HO)(OH){3|C<4>,3|H<1>}	H(OC[3x6])	109.4640	0.000	1	109.4640	0.000	1	109.6197	4.874	9	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(OH)	H(OC[3x6])	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(OH){1|C<3>,2|H<1>,3|C<4>}	H(OC[3x6])	111.2485	2.280	2	109.6621	6.489	7	109.6197	4.874	9	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(OH)	H(OC[3x6])	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(OH){1|N<3>,2|H<1>,3|C<4>}	H(OC[3x6])	109.4710	0.000	1	109.6621	6.489	7	109.6197	4.874	9	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(OH)	H(OC[3x6])	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(OH){2|H<1>,4|C<4>}	H(OC[3x6])	108.9167	2.969	4	109.6621	6.489	7	109.6197	4.874	9	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[3x6]	H	4:1:	4:4:4:2:	2:	C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[6]O[6]H)3(OH)	H(OC[3x6])	O(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[6]O[6]H)3(OH){2|O<2>,3|H<1>,4|C<4>}	H(OC[3x6])	109.4780	0.000	1	109.4780	0.000	1	109.6197	4.874	9	109.7523	16.238	39	109.3329	14.032	99	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[4x6]	H	4:1:	4:4:2:2:	2:	C[4x6]-4:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	O-2:	O(C[4x6]C[3x6]2O[6,6])(H)	C[4x6](C[3x6]C[3,6]C[6,6]H)(C[3x6]C[6,6]2C)(O[6,6]C[6,6])(OH)	H(OC[4x6])	O(C[4x6]C[3x6]2O[6,6])(H)	C[4x6](C[3x6]C[3,6]C[6,6]H)(C[3x6]C[6,6]2C)(O[6,6]C[6,6])(OH){2|O<2>,4|C<4>,6|H<1>}	H(OC[4x6])	109.3950	0.000	1	109.3950	0.000	1	107.7297	2.346	3	107.9332	1.951	5	109.2446	6.436	8	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[4x6]	H	4:1:	4:4:2:2:	2:	C[4x6]-4:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	O-2:	O(C[4x6]C[3x6]2O[6,6])(H)	C[4x6](C[3x6]C[3x6]C[6]H)2(O[6,6]C[4x6])(OH)	H(OC[4x6])	O(C[4x6]C[3x6]2O[6,6])(H)	C[4x6](C[3x6]C[3x6]C[6]H)2(O[6,6]C[4x6])(OH){1|S<2>,2|O<2>,3|C<4>,5|H<1>}	H(OC[4x6])	106.3810	0.000	1	106.3810	0.000	1	107.7297	2.346	3	107.9332	1.951	5	109.2446	6.436	8	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[4x6]	H	4:1:	4:4:2:2:	2:	C[4x6]-4:H-1:	C[3x6]-4:C[3x6]-4:O[6,6]-2:O-2:	O-2:	O(C[4x6]C[3x6]2O[6,6])(H)	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(OH)	H(OC[4x6])	O(C[4x6]C[3x6]2O[6,6])(H)	C[4x6](C[3x6]C[6,6]C[6]H)2(O[6,6]C[6,6])(OH){1|O<1>,2|C<4>,8|H<1>}	H(OC[4x6])	107.4130	0.000	1	107.4130	0.000	1	107.7297	2.346	3	107.9332	1.951	5	109.2446	6.436	8	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[4x6]	H	4:1:	4:4:2:2:	2:	C[4x6]-4:H-1:	C[5,5x6]-4:C[6,6]-4:O[3x6]-2:O-2:	O-2:	O(C[4x6]C[5,5x6]C[6,6]O[3x6])(H)	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH)	H(OC[4x6])	O(C[4x6]C[5,5x6]C[6,6]O[3x6])(H)	C[4x6](C[5,5x6]C[5,3x6]C[4x6]C[5])(C[6,6]C[3x6]HO)(O[3x6]C[4x6])(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(OC[4x6])	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	107.9332	1.951	5	109.2446	6.436	8	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[4x6]	H	4:1:	4:4:2:2:	2:	C[4x6]-4:H-1:	C[5x6]-4:C[6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[4x6]C[5x6]C[6,6]O[6,6])(H)	C[4x6](C[5x6]C[4x6]C[6,6]C[6])(C[6,6]C[6]2H)(O[6,6]C[4x6])(OH)	H(OC[4x6])	O(C[4x6]C[5x6]C[6,6]O[6,6])(H)	C[4x6](C[5x6]C[4x6]C[6,6]C[6])(C[6,6]C[6]2H)(O[6,6]C[4x6])(OH){1|O<2>,5|C<4>,7|H<1>}	H(OC[4x6])	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	107.9332	1.951	5	109.2446	6.436	8	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[4x6]	H	4:1:	4:4:4:2:	2:	C[4x6]-4:H-1:	C[3x6]-4:C[6x6]-4:C[6,6]-4:O-2:	O-2:	O(C[4x6]C[3x6]C[6,6]C[6x6])(H)	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	H(OC[4x6])	O(C[4x6]C[3x6]C[6,6]C[6x6])(H)	C[4x6](C[3x6]C[5,4x6]C[6]O)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){1|C<3>,5|C<4>,7|H<1>}	H(OC[4x6])	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	111.4303	7.157	3	109.2446	6.436	8	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[4x6]	H	4:1:	4:4:4:2:	2:	C[4x6]-4:H-1:	C[4x6]-4:C[4x6]-4:C[6,6]-4:O-2:	O-2:	O(C[4x6]C[4x6]2C[6,6])(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(OH)	H(OC[4x6])	O(C[4x6]C[4x6]2C[6,6])(H)	C[4x6](C[4x6]C[4x6]C[6,6]H)2(C[6,6]C[3x6]HH)(OH){4|C<4>,7|H<1>}	H(OC[4x6])	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	111.4303	7.157	3	109.2446	6.436	8	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[4x6]	H	4:1:	4:4:4:2:	2:	C[4x6]-4:H-1:	C[5,3x6]-4:C[4x6]-4:C[3x6]-4:O-2:	O-2:	O(C[4x6]C[5,3x6]C[3x6]C[4x6])(H)	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH)	H(OC[4x6])	O(C[4x6]C[5,3x6]C[3x6]C[4x6])(H)	C[4x6](C[5,3x6]C[5,3x6]C[5,6]H)(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[3x6]C[6]H)(OH){1|N<3>,6|H<1>,7|C<4>}	H(OC[4x6])	114.4780	0.000	1	114.4780	0.000	1	114.4780	0.000	1	111.4303	7.157	3	109.2446	6.436	8	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	2:4:4:2:	2:	C[6,6]-4:H-1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	H(OC[6,6])	109.6052	0.276	4	109.5770	0.061	5	109.5510	0.053	6	109.5510	0.053	6	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	2:4:4:2:	2:	C[6,6]-4:H-1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|H<1>,4|C<4>}	H(OC[6,6])	109.4640	0.000	1	109.5770	0.061	5	109.5510	0.053	6	109.5510	0.053	6	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	2:4:4:2:	2:	C[6,6]-4:H-1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](O[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,4|H<1>}	H(OC[6,6])	109.4210	0.000	1	109.4210	0.000	1	109.5510	0.053	6	109.5510	0.053	6	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:2:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:O[6]-2:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(OC[6,6])	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:3:3:2:	2:	C[6,6]-4:H-1:	C[6]-3:C[6]-3:N[6,6]-3:O-2:	O-2:	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](C[6]C[5a,6]O)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH)	H(OC[6,6])	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](C[6]C[5a,6]O)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(OC[6,6])	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:3:4:2:	2:	C[6,6]-4:H-1:	C[5a,6,6]-3:C[6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[5a,6,6]C[6]2)(H)	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6,6a]O)(C[6]C[6]CH)(OH)	H(OC[6,6])	O(C[6,6]C[5a,6,6]C[6]2)(H)	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6,6a]O)(C[6]C[6]CH)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	H(OC[6,6])	100.5870	0.000	1	100.5870	0.000	1	100.5870	0.000	1	105.6590	20.846	3	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH){1|H<1>,2|C<4>,4|C<3>}	H(OC[6,6])	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	105.6590	20.846	3	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	O-2:	O(C[6,6]C[6,6a]2C[6,6])(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]2C[6,6])(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH){1|O<2>,3|H<1>,6|C<3>}	H(OC[6,6])	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	105.6590	20.846	3	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(OC[6,6])	107.9625	1.353	2	108.4653	1.673	3	108.4653	1.673	3	108.4653	1.673	3	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H){1|Cl<1>,1|H<1>,5|C<4>}	H(OC[6,6])	109.4710	0.000	1	108.4653	1.673	3	108.4653	1.673	3	108.4653	1.673	3	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])(OH){1|C<3>,4|C<4>,4|H<1>}	H(OC[6,6])	109.4100	0.000	1	109.4100	0.000	1	109.4470	0.001	3	108.5083	3.526	4	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]O[6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]O[6])(OH){1|C<3>,2|H<1>,4|C<4>}	H(OC[6,6])	109.4580	0.000	1	109.4580	0.000	1	109.4470	0.001	3	108.5083	3.526	4	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(O[6]C[6,6a])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(O[6]C[6,6a])(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(OC[6,6])	109.4730	0.000	1	109.4730	0.000	1	109.4470	0.001	3	108.5083	3.526	4	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6a]C[6,6]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O[6]C[6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]C[6,6]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O[6]C[6])(OH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(OC[6,6])	105.6920	0.000	1	105.6920	0.000	1	105.6920	0.000	1	108.5083	3.526	4	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]C[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]C[6]H)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(OC[6,6])	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	107.7612	13.064	7	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,3|H<1>,4|C<4>}	H(OC[6,6])	99.8266	0.000	1	99.8266	0.000	1	104.6488	46.507	2	107.7612	13.064	7	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(OC[6,6])	109.4710	0.000	1	109.4710	0.000	1	104.6488	46.507	2	107.7612	13.064	7	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(OC[6,6])	107.0570	0.000	1	107.0570	0.000	1	108.2820	3.001	2	107.7612	13.064	7	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(OH){1|O<2>,3|H<1>,4|C<3>}	H(OC[6,6])	109.5070	0.000	1	109.5070	0.000	1	108.2820	3.001	2	107.7612	13.064	7	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:3:2:	2:	C[6,6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]N)(C[6]N[6]O)(OH)	H(OC[6,6])	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]N)(C[6]N[6]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	H(OC[6,6])	109.5090	0.000	1	109.5090	0.000	1	109.4925	0.001	2	107.7612	13.064	7	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:3:2:	2:	C[6,6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]O)(C[6]N[6]O)(OH)	H(OC[6,6])	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]O)(C[6]N[6]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	H(OC[6,6])	109.4760	0.000	1	109.4760	0.000	1	109.4925	0.001	2	107.7612	13.064	7	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,5|C<4>,5|H<1>}	H(OC[6,6])	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	H(OC[6,6])	109.4260	0.000	1	109.4260	0.000	1	109.6295	17.141	4	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|N<2>,6|H<1>}	H(OC[6,6])	110.0860	7.104	2	109.6973	25.684	3	109.6295	17.141	4	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	H(OC[6,6])	108.9200	0.000	1	109.6973	25.684	3	109.6295	17.141	4	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[3x6]C[6])(C[6,6]C[6]2O)(C[6]C[6]CH)(OH){1|O<2>,2|O<1>,3|H<1>,4|C<4>}	H(OC[6,6])	109.4850	0.000	1	109.4850	0.000	1	108.1146	6.748	7	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(OC[6,6])	109.4650	0.000	1	109.4650	0.000	1	108.1146	6.748	7	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(OC[6,6])	109.5150	0.000	1	109.4840	0.002	2	108.1146	6.748	7	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,8|H<1>}	H(OC[6,6])	109.4530	0.000	1	109.4840	0.002	2	108.1146	6.748	7	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]O)(C[6]C[6,6]HO)(OH){2|C<3>,4|C<4>,4|H<1>}	H(OC[6,6])	102.9050	0.000	1	102.9050	0.000	1	108.1146	6.748	7	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]O[6])(C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(OH){1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	H(OC[6,6])	107.9895	2.422	2	107.9895	5.865	2	108.1146	6.748	7	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,3|H<1>}	H(OC[6,6])	109.4860	0.000	1	109.4860	0.000	1	107.8687	6.653	11	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C)(C[6]C[5,6]CH)(C[6]N[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C)(C[6]C[5,6]CH)(C[6]N[6]HH)(OH){2|C<3>,4|C<4>}	H(OC[6,6])	108.3102	1.700	5	108.3102	2.890	5	107.8687	6.653	11	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	H(OC[6,6])	109.6100	0.000	1	109.6100	0.000	1	107.8687	6.653	11	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){2|C<3>,2|C<4>,4|H<1>}	H(OC[6,6])	101.9610	0.000	1	101.9610	0.000	1	107.8687	6.653	11	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]HH)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[6,6])	109.4830	0.000	1	109.4830	0.000	1	107.8687	6.653	11	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)2(OH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(OC[6,6])	104.9930	0.000	1	104.9930	0.000	1	107.8687	6.653	11	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,4|H<1>}	H(OC[6,6])	109.4720	0.000	1	109.4720	0.000	1	107.8687	6.653	11	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O-2:	O-2:	O(C[6,6]C[6,6a]C[5,6]C[6,6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]C[5,6]C[6,6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	H(OC[6,6])	106.2940	3.021	2	106.2940	9.125	2	106.2940	9.125	2	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH){2|C<3>,3|C<4>,6|H<1>}	H(OC[6,6])	107.6660	0.000	1	107.6660	0.000	1	108.3574	5.825	8	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(OC[6,6])	109.4530	0.000	1	109.4530	0.000	1	108.3574	5.825	8	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,2|N<3>,5|H<1>}	H(OC[6,6])	107.1223	3.930	3	107.1223	15.445	3	108.3574	5.825	8	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(OC[6,6])	109.4820	0.000	1	109.4577	0.001	3	108.3574	5.825	8	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	H(OC[6,6])	109.4720	0.000	1	109.4577	0.001	3	108.3574	5.825	8	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(OC[6,6])	109.4190	0.000	1	109.4577	0.001	3	108.3574	5.825	8	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-4:O-2:	O-2:	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6a]H)(C[6,6]C[6]2C)(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6a]H)(C[6,6]C[6]2C)(OH){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	H(OC[6,6])	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-4:O-2:	O-2:	O(C[6,6]C[6,6a]N[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]N[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH){1|C<4>,4|C<3>,5|H<1>}	H(OC[6,6])	113.3590	0.000	1	113.3590	0.000	1	113.3590	0.000	1	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	N[5,6,6]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]N[5,6,6]C[6]2)(H)	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]N[5,6,6]C[6]2)(H)	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(OC[6,6])	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	N[5,6]-3:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]N[5,6]C[6])(H)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]N[5,6]C[6])(H)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(OC[6,6])	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(OC[6,6])	109.4830	0.000	1	109.4830	0.000	1	108.3777	3.489	3	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	H(OC[6,6])	109.4290	0.000	1	109.4290	0.000	1	108.3777	3.489	3	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	3:4:4:2:	2:	C[6,6]-4:H-1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	H(OC[6,6])	106.2210	0.000	1	106.2210	0.000	1	108.3777	3.489	3	108.4240	6.719	40	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:2:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(OC[6,6])	109.4810	0.000	1	109.4765	0.000	2	109.4231	4.089	8	109.4259	3.578	9	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:2:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(OC[6,6])	109.4720	0.000	1	109.4765	0.000	2	109.4231	4.089	8	109.4259	3.578	9	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:2:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(OC[6,6])	109.4520	0.000	1	109.4520	0.000	1	109.4231	4.089	8	109.4259	3.578	9	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:2:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[6,6])	109.8530	1.452	3	109.8530	2.109	3	109.4231	4.089	8	109.4259	3.578	9	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:2:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(OC[6,6])	112.0890	0.000	1	108.7105	22.829	2	109.4231	4.089	8	109.4259	3.578	9	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:2:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:O[6]-2:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(OC[6,6])	105.3320	0.000	1	108.7105	22.829	2	109.4231	4.089	8	109.4259	3.578	9	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:2:4:2:	2:	C[6,6]-4:H-1:	C[6]-4:O[6,6]-2:C[6]-4:O-2:	O-2:	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](C[6]C[5,6]FF)(O[6,6]C[6,6])(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]O[6,6]C[6]2)(H)	C[6,6](C[6]C[5,6]FF)(O[6,6]C[6,6])(C[6]C[6]HO)(OH){1|O<2>,2|H<1>,4|C<4>}	H(OC[6,6])	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	109.4259	3.578	9	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(OC[6,6])	108.0510	0.000	1	108.0510	0.000	1	108.1010	7.388	6	109.7129	6.509	16	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H){2|C<4>,4|H<1>}	H(OC[6,6])	108.1110	3.039	5	108.1110	9.235	5	108.1010	7.388	6	109.7129	6.509	16	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:1:	2:	C[6,6]-4:H-1:	C[4,6,6]-4:C[6,6]-3:O-2:H-1:	O-2:	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(OH)(H){2|H<1>,4|C<4>}	H(OC[6,6])	111.6917	3.189	3	111.6917	10.167	3	111.6917	10.167	3	109.7129	6.509	16	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:1:	2:	C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-3:O-2:H-1:	O-2:	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H)	H(OC[6,6])	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H){4|C<4>,6|H<1>}	H(OC[6,6])	112.8600	0.000	1	112.8600	0.000	1	112.8600	0.000	1	109.7129	6.509	16	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:1:	2:	C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-3:O-2:H-1:	O-2:	O(C[6,6]C[5,3x6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,3x6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H){2|C<3>,3|H<1>,4|C<4>}	H(OC[6,6])	110.4585	1.337	2	110.4585	1.788	2	110.4585	1.788	2	109.7129	6.509	16	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:1:	2:	C[6,6]-4:H-1:	C[5,5x6]-4:C[6,6]-3:O-2:H-1:	O-2:	O(C[6,6]C[5,5x6]C[6,6]H)(H)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,5x6]C[6,6]H)(H)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H){5|C<4>,5|H<1>}	H(OC[6,6])	109.5100	0.000	2	109.5100	0.000	2	109.5100	0.000	2	109.7129	6.509	16	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:1:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:O-2:H-1:	O-2:	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[3,6,6]O)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[3,6,6]O)(OH)(H){1|O<1>,2|C<3>,3|C<4>}	H(OC[6,6])	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	109.7129	6.509	16	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:1:	2:	C[6,6]-4:H-1:	C[6x6]-4:C[6,6]-3:O-2:H-1:	O-2:	O(C[6,6]C[6,6]C[6x6]H)(H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]C[6x6]H)(H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H){1|C<3>,4|C<4>,5|H<1>}	H(OC[6,6])	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	109.7129	6.509	16	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:2:	2:	C[6,6]-4:H-1:	C[3,6]-4:C[6,6]-3:O[6]-2:O-2:	O-2:	O(C[6,6]C[3,6]C[6,6]O[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6])(O[6]C[5,5,6])(OH)	H(OC[6,6])	O(C[6,6]C[3,6]C[6,6]O[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6])(O[6]C[5,5,6])(OH){2|C<3>,4|C<4>}	H(OC[6,6])	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.1977	0.844	19	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	O-2:	O(C[6,6]C[3x6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(OH)2	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(OH)2{2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(OC[6,6])	109.4598	0.038	6	109.4598	0.001	6	109.4598	0.001	6	109.1977	0.844	19	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(OC[6,6])	109.4410	0.000	1	109.4585	0.001	2	108.9277	0.846	3	109.1977	0.844	19	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2)(O[6]O[6])(OH){1|O<1>,3|C<4>,5|H<1>}	H(OC[6,6])	109.4760	0.000	1	109.4585	0.001	2	108.9277	0.846	3	109.1977	0.844	19	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]O[5,6]O[5]H)(C[6,6]C[6]2)(O[6]C[6,6a])(OH){2|C<3>,2|C<4>,3|H<1>}	H(OC[6,6])	107.8660	0.000	1	107.8660	0.000	1	108.9277	0.846	3	109.1977	0.844	19	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6,6]O)(O[6]C[6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[5,6,6]O)(O[6]C[6])(OH){1|O<1>,5|C<4>}	H(OC[6,6])	105.7280	0.000	1	105.7280	0.000	1	109.0817	1.583	9	109.1977	0.844	19	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(O[6]O[6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(O[6]O[6])(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(OC[6,6])	109.5193	0.030	3	109.5193	0.001	3	109.0817	1.583	9	109.1977	0.844	19	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(O[6]N[6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(O[6]N[6])(OH){1|C<4>,2|C<3>,4|H<1>}	H(OC[6,6])	109.4710	0.000	1	109.4710	0.000	1	109.0817	1.583	9	109.1977	0.844	19	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]O)(O[6]C[6,6a])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[5a,6]O)(O[6]C[6,6a])(OH){2|H<1>,4|C<3>}	H(OC[6,6])	109.4945	0.050	4	109.4945	0.003	4	109.0817	1.583	9	109.1977	0.844	19	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:3:2:	2:	C[6,6]-4:H-1:	C[3,6,6]-4:C[6,6]-3:C[6]-3:O-2:	O-2:	O(C[6,6]C[3,6,6]C[6,6]C[6])(H)	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[3,6,6]C[6,6]C[6])(H)	C[6,6](C[3,6,6]C[5,6,6]C[3,6]C[3])(C[6,6]C[6]2)(C[6]C[6]O)(OH){1|O<2>,4|C<4>,8|H<1>}	H(OC[6,6])	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	110.2294	18.393	15	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:3:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6a]C[3x6]C[6])(H)	C[6,6](C[3x6]C[6,6a]O[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[6,6a]C[3x6]C[6])(H)	C[6,6](C[3x6]C[6,6a]O[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){2|C<4>,4|C<3>,4|H<1>}	H(OC[6,6])	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	110.2294	18.393	15	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:3:2:	2:	C[6,6]-4:H-1:	C[4,6,6]-4:C[6,6]-3:C-3:O-2:	O-2:	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(COO)(OH)	H(OC[6,6])	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(COO)(OH){3|C<4>,4|H<1>}	H(OC[6,6])	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	110.2294	18.393	15	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:3:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(OC[6,6])	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	110.2294	18.393	15	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)(OH){1|C<3>,3|C<4>,7|H<1>}	H(OC[6,6])	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	110.2294	18.393	15	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)(OH){4|H<1>,5|C<4>}	H(OC[6,6])	109.4990	0.021	2	109.4990	0.000	2	110.7088	31.538	9	110.2294	18.393	15	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(OC[6,6])	109.5020	0.000	1	109.5020	0.000	1	110.7088	31.538	9	110.2294	18.393	15	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH){1|C<4>,1|N<4>,1|O<2>,2|H<1>,3|C<3>}	H(OC[6,6])	106.1910	4.551	2	112.8960	42.642	5	110.7088	31.538	9	110.2294	18.393	15	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]O)(OH){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	H(OC[6,6])	117.3660	0.000	3	112.8960	42.642	5	110.7088	31.538	9	110.2294	18.393	15	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6]O)(OH){1|O<2>,3|H<1>,4|C<3>}	H(OC[6,6])	103.3990	0.000	1	103.3990	0.000	1	110.7088	31.538	9	110.2294	18.393	15	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:3:2:	2:	C[6,6]-4:H-1:	C[6]-4:C[6]-3:N[6,6]-3:O-2:	O-2:	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH)	H(OC[6,6])	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(OC[6,6])	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	110.2294	18.393	15	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[3,6,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[3,6,6]C[6,6]C[6])(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[3,6,6]C[6,6]C[6])(H)	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(OC[6,6])	109.2200	0.000	1	109.2200	0.000	1	109.2200	0.000	1	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	O-2:	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]O)(CCHH)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]O)(CCHH)(OH){1|C<3>,2|H<1>,3|C<4>}	H(OC[6,6])	109.5020	0.000	1	109.5020	0.000	1	108.5823	3.251	9	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	O-2:	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCCH)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6,6])	109.4645	0.084	2	109.4645	0.007	2	108.5823	3.251	9	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	O-2:	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,1|H<1>,4|C<4>}	H(OC[6,6])	109.4910	0.000	1	107.6705	6.628	2	108.5823	3.251	9	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	O-2:	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6,6])	105.8500	0.000	1	107.6705	6.628	2	108.5823	3.251	9	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	O-2:	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CHHO)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6,6])	109.5120	0.000	1	109.5120	0.000	1	108.5823	3.251	9	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	O-2:	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[6,6])	109.2820	0.000	1	109.2820	0.000	1	108.5823	3.251	9	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:O-2:	O-2:	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CClHH)(OH){1|C<3>,2|H<1>,3|C<4>}	H(OC[6,6])	107.3375	3.294	2	107.3375	10.853	2	108.5823	3.251	9	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[4,6,6]-4:C[6,6]-3:C-4:O-2:	O-2:	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(CH3)(OH)	H(OC[6,6])	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(CH3)(OH){3|C<4>,4|H<1>}	H(OC[6,6])	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	H(OC[6,6])	101.3360	0.000	1	101.3360	0.000	1	103.0844	24.224	5	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){1|O<1>,2|O<2>,4|C<4>,7|H<1>}	H(OC[6,6])	103.7730	0.133	2	103.5215	31.025	4	103.0844	24.224	5	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HO)(OH){3|O<2>,4|C<4>,8|H<1>}	H(OC[6,6])	103.2700	9.634	2	103.5215	31.025	4	103.0844	24.224	5	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:N[5,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]N[5,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]N[5,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(OC[6,6])	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	H(OC[6,6])	109.4830	0.042	2	109.4877	0.001	3	109.4877	0.001	3	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(OC[6,6])	109.4970	0.000	1	109.4877	0.001	3	109.4877	0.001	3	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){6|C<4>,6|H<1>}	H(OC[6,6])	109.4715	0.009	2	109.4715	0.000	2	109.4715	0.000	2	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){2|C<4>,4|C<3>,5|H<1>}	H(OC[6,6])	114.0880	0.000	1	114.0880	0.000	1	114.0880	0.000	1	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]O)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,6|C<4>}	H(OC[6,6])	104.9325	20.466	2	104.9325	418.846	2	108.8615	35.008	14	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(OC[6,6])	109.4805	0.006	2	109.4805	0.000	2	108.8615	35.008	14	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(OC[6,6])	109.5010	0.055	2	109.5010	0.003	2	108.8615	35.008	14	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(OC[6,6])	109.4690	0.000	1	109.4760	0.000	2	108.8615	35.008	14	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,7|H<1>}	H(OC[6,6])	109.4830	0.000	1	109.4760	0.000	2	108.8615	35.008	14	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HO)(OH){2|C<3>,3|C<4>,5|H<1>}	H(OC[6,6])	109.4490	0.000	1	109.4490	0.000	1	108.8615	35.008	14	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(OC[6,6])	109.3990	0.000	1	109.3990	0.000	1	108.8615	35.008	14	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	H(OC[6,6])	109.7210	0.352	2	109.7210	0.124	2	108.8615	35.008	14	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(OC[6,6])	109.5280	0.000	1	109.4955	0.002	2	108.8615	35.008	14	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){2|C<3>,4|C<4>,5|H<1>}	H(OC[6,6])	109.4630	0.000	1	109.4955	0.002	2	108.8615	35.008	14	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	H(OC[6,6])	109.4470	0.000	1	109.4470	0.000	1	109.3474	1.244	7	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(OC[6,6])	110.1940	0.000	1	110.1940	0.000	1	109.3474	1.244	7	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6a]O)(C[6]O[6]CH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2S)(C[6]C[6,6a]O)(C[6]O[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(OC[6,6])	109.4740	0.034	2	109.4740	0.001	2	109.3474	1.244	7	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(OC[6,6])	109.9355	0.607	2	108.9477	3.112	3	109.3474	1.244	7	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]HO)(OH){1|O<2>,2|H<1>,3|C<3>}	H(OC[6,6])	106.9720	0.000	1	108.9477	3.112	3	109.3474	1.244	7	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]N[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]N[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	H(OC[6,6])	109.3753	0.131	3	109.5745	0.220	6	109.5745	0.220	6	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]N[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]N[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	H(OC[6,6])	109.7737	0.644	3	109.5745	0.220	6	109.5745	0.220	6	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]CH)(OH){4|C<4>,5|H<1>}	H(OC[6,6])	109.4640	0.000	1	109.4640	0.000	1	109.3990	0.008	3	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[6,6]HN)(C[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	H(OC[6,6])	109.4390	0.000	1	109.4390	0.000	1	109.3990	0.008	3	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:3:4:2:	2:	C[6,6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]O[6]CH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]O[6]CH)(OH){1|N<2>,5|C<3>}	H(OC[6,6])	109.2940	0.000	1	109.2940	0.000	1	109.3990	0.008	3	108.6323	15.137	53	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:D-1:	O-2:	O(C[6,6]C[3x6]2D)(H)	C[6,6](C[3x6]C[6,6]O[6,6]D)2(OH)(D)	H(OC[6,6])	O(C[6,6]C[3x6]2D)(H)	C[6,6](C[3x6]C[6,6]O[6,6]D)2(OH)(D){2|C<4>,2|D<1>,2|O<2>}	H(OC[6,6])	110.7120	2.379	3	110.7120	5.662	3	110.7120	5.662	3	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[6,6])	109.4680	0.000	1	109.4680	0.000	1	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(OC[6,6])	109.4770	0.000	1	109.4770	0.000	1	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,6|C<4>}	H(OC[6,6])	109.4340	0.000	1	109.4340	0.000	1	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[6,6])	109.5045	0.037	2	109.5045	0.001	2	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(OC[6,6])	109.4680	0.000	1	109.4680	0.000	1	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|H<1>,7|C<4>}	H(OC[6,6])	109.5080	0.000	1	109.5080	0.000	1	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	H(OC[6,6])	107.9237	2.702	3	106.6517	14.028	9	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,6|C<4>}	H(OC[6,6])	105.5410	5.667	3	106.6517	14.028	9	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){8|C<4>}	H(OC[6,6])	106.4903	3.519	3	106.6517	14.028	9	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2C)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2C)2(OH)(H){1|C<4>,1|N<3>,2|O<2>,6|H<1>}	H(OC[6,6])	106.5027	2.144	6	106.5027	4.595	6	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H){2|C<4>,8|H<1>}	H(OC[6,6])	109.4850	0.000	1	109.4850	0.000	1	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]2H)2(OH)(H){1|C<3>,2|C<4>,6|H<1>}	H(OC[6,6])	108.8290	4.031	2	108.8290	16.245	2	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[6,6])	109.4780	0.000	1	109.4780	0.000	1	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[4x6]C[6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(OC[6,6])	109.4770	0.000	1	109.4770	0.000	1	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|C<4>,1|P<4>,2|H<1>,2|O<2>}	H(OC[6,6])	106.7880	3.480	3	107.7549	6.712	46	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|H<1>,2|O<2>,3|C<4>}	H(OC[6,6])	104.2410	0.000	1	107.7549	6.712	46	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|N<3>,1|N<4>,2|C<4>,2|H<1>}	H(OC[6,6])	109.3560	0.000	1	107.7549	6.712	46	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|N<3>}	H(OC[6,6])	105.7210	0.000	1	107.7549	6.712	46	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]2H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(OC[6,6])	107.9261	2.556	40	107.7549	6.712	46	107.7817	7.026	73	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	H(OC[6,6])	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	H(OC[6,6])	110.8640	0.000	1	110.8640	0.000	1	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(OC[6,6])	109.4790	0.000	1	109.4790	0.000	1	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(OC[6,6])	109.4485	0.066	4	109.4485	0.004	4	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	H(OC[6,6])	109.4590	0.000	1	109.4638	0.001	4	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(OC[6,6])	109.4653	0.031	3	109.4638	0.001	4	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H){2|C<3>,3|C<4>}	H(OC[6,6])	120.2870	0.000	1	120.2870	0.000	1	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H){1|H<1>,4|C<3>}	H(OC[6,6])	100.6320	0.000	1	100.6320	0.000	1	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6,6])	106.1050	5.234	2	106.1050	27.395	2	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(OC[6,6])	109.4790	0.027	2	109.4790	0.001	2	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(OC[6,6])	109.4465	0.045	2	109.4465	0.002	2	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,4|H<1>}	H(OC[6,6])	109.4745	0.013	2	109.4670	2.961	51	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,5|H<1>}	H(OC[6,6])	109.4658	1.834	45	109.4670	2.961	51	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){3|C<4>,4|H<1>}	H(OC[6,6])	109.4768	0.041	4	109.4670	2.961	51	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6,6])	107.5197	2.290	6	107.8123	4.968	7	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6,6])	109.5680	0.000	1	107.8123	4.968	7	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){1|N<3>,1|O<1>,2|C<4>}	H(OC[6,6])	108.3690	0.000	1	108.3690	0.000	1	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(OC[6,6])	109.4580	0.000	1	109.4580	0.000	1	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(OC[6,6])	109.4465	0.039	2	109.4465	0.002	2	109.2649	5.596	80	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	H(OC[6,6])	109.4920	0.000	1	109.5080	0.001	2	109.5080	0.001	2	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	H(OC[6,6])	109.5240	0.000	1	109.5080	0.001	2	109.5080	0.001	2	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(OC[6,6])	109.4940	0.000	1	109.4675	0.001	2	107.4820	16.545	5	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(OC[6,6])	109.4410	0.000	1	109.4675	0.001	2	107.4820	16.545	5	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,7|C<4>}	H(OC[6,6])	104.5055	6.054	2	104.5055	36.645	2	107.4820	16.545	5	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[4x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[4x6]H)(H)	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	H(OC[6,6])	109.4640	0.000	1	109.4640	0.000	1	107.4820	16.545	5	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[4x6]-4:C[4x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[4x6]2H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[4x6]2H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	H(OC[6,6])	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(OC[6,6])	109.4550	0.000	1	109.4700	0.000	3	109.4575	0.002	6	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6,6])	109.4870	0.000	1	109.4700	0.000	3	109.4575	0.002	6	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	H(OC[6,6])	109.4680	0.000	1	109.4700	0.000	3	109.4575	0.002	6	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H)	H(OC[6,6])	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	H(OC[6,6])	109.4325	0.074	2	109.4450	0.003	3	109.4575	0.002	6	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H)	H(OC[6,6])	O(C[6,6]C[4x6]C[6,6]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	H(OC[6,6])	109.4700	0.000	1	109.4450	0.003	3	109.4575	0.002	6	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[5,3x6]C[3x6]H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,3x6]C[3x6]H)(H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|C<3>,2|H<1>,6|C<4>}	H(OC[6,6])	109.5070	0.000	2	109.5070	0.000	2	109.5070	0.000	2	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[5,3x6]C[5,6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,3x6]C[5,6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(OC[6,6])	104.1800	0.000	1	104.1800	0.000	1	104.1800	0.000	1	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[5,5x6]-4:C[5,6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[5,5x6]C[5,6,6]H)(H)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,5x6]C[5,6,6]H)(H)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H){1|C<3>,5|H<1>,6|C<4>}	H(OC[6,6])	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H){4|C<4>,4|H<1>}	H(OC[6,6])	101.6060	0.000	1	101.6060	0.000	1	108.9504	10.551	8	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<4>}	H(OC[6,6])	113.2340	0.000	1	113.2340	0.000	1	108.9504	10.551	8	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(OC[6,6])	109.4603	0.028	3	109.4603	0.001	3	108.9504	10.551	8	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H){1|O<2>,1|S<2>,2|H<1>,4|C<4>}	H(OC[6,6])	109.4390	0.000	1	109.4390	0.000	1	108.9504	10.551	8	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[3x6]H)(H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){2|H<1>,2|O<2>,4|C<4>}	H(OC[6,6])	109.4715	0.042	2	109.4715	0.002	2	108.9504	10.551	8	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6,6])	109.4630	0.000	1	109.4630	0.000	1	110.4883	9.349	9	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6,6])	109.5390	0.140	2	109.5390	0.020	2	110.4883	9.349	9	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	H(OC[6,6])	109.4460	0.000	1	109.4460	0.000	1	110.4883	9.349	9	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(OC[6,6])	111.2816	4.114	5	111.2816	16.922	5	110.4883	9.349	9	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(OC[6,6])	109.4630	0.000	1	109.4630	0.000	1	110.9755	4.575	2	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]H)(H)	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(OC[6,6])	112.4880	0.000	1	112.4880	0.000	1	110.9755	4.575	2	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	H(OC[6,6])	106.7570	0.000	1	106.7570	0.000	1	107.7707	0.973	3	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	H(OC[6,6])	108.7270	0.000	1	108.2775	0.404	2	107.7707	0.973	3	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[4,6,6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){5|C<4>,5|H<1>}	H(OC[6,6])	107.8280	0.000	1	108.2775	0.404	2	107.7707	0.973	3	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(OC[6,6])	109.4020	0.000	1	109.4020	0.000	1	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(OC[6,6])	109.4900	0.000	1	109.4900	0.000	1	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	H(OC[6,6])	109.4620	0.000	1	109.4620	0.000	1	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	H(OC[6,6])	109.4785	0.023	2	109.4785	0.001	2	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H){3|C<3>,5|H<1>}	H(OC[6,6])	109.4490	0.000	1	109.4490	0.000	1	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(OC[6,6])	109.4795	0.095	2	109.6814	5.795	9	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(OC[6,6])	115.3150	0.000	1	109.6814	5.795	9	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(OC[6,6])	109.4270	0.000	1	109.6814	5.795	9	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){2|C<3>,2|N<3>,6|H<1>}	H(OC[6,6])	109.2403	0.921	3	109.6814	5.795	9	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){2|C<3>,2|N<4>,6|H<1>}	H(OC[6,6])	109.5170	0.000	1	109.6814	5.795	9	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2C)2(OH)(H){2|N<3>,8|H<1>}	H(OC[6,6])	106.1940	0.000	1	109.6814	5.795	9	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2H)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2H)2(OH)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(OC[6,6])	110.4240	0.000	1	108.6605	6.220	2	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2H)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]2H)2(OH)(H){1|N<3>,1|S<4>,8|H<1>}	H(OC[6,6])	106.8970	0.000	1	108.6605	6.220	2	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(OC[6,6])	102.5050	0.000	1	102.5050	0.000	1	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]O[6]H)2(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6]O[6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(OC[6,6])	109.1490	0.562	3	109.1490	0.315	3	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:1:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(OH)(H)	H(OC[6,6])	O(C[6,6]C[6,6]2H)(H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(OH)(H){6|C<3>}	H(OC[6,6])	109.4580	0.000	1	109.4580	0.000	1	109.1193	4.812	22	108.7576	6.705	219	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[3,3x6]-4:C[5,6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[3,3x6]C[5,6]O[6])(H)	C[6,6](C[3,3x6]C[3,5,6,6]C[3x6]O[3])(C[5,6]C[5,6,6a]C[5,6a]O)(O[6]C[6,6])(OH)	H(OC[6,6])	O(C[6,6]C[3,3x6]C[5,6]O[6])(H)	C[6,6](C[3,3x6]C[3,5,6,6]C[3x6]O[3])(C[5,6]C[5,6,6a]C[5,6a]O)(O[6]C[6,6])(OH){1|N<4>,3|C<4>,5|C<3>}	H(OC[6,6])	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[3x6]C[6]O[6])(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(O[6]C[6])(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6]O[6])(H)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HO)(O[6]C[6])(OH){1|C<3>,3|H<1>,6|C<4>}	H(OC[6,6])	109.4720	0.000	1	109.4720	0.000	1	109.4905	0.001	2	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[3x6]C[6]O[6])(H)	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]C[6]HH)(O[6]O[6])(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6]O[6])(H)	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]C[6]HH)(O[6]O[6])(OH){3|C<4>,6|H<1>}	H(OC[6,6])	109.5090	0.000	1	109.5090	0.000	1	109.4905	0.001	2	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:N[3x6]-4:O-2:O-2:	O-2:	O(C[6,6]C[3x6]N[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2	H(OC[6,6])	O(C[6,6]C[3x6]N[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2{2|C<4>,8|H<1>}	H(OC[6,6])	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[5,5,6,6]-4:C[3x6]-4:C-2:O-2:	O-2:	O(C[6,6]C[5,5,6,6]C[3x6]C)(H)	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH)	H(OC[6,6])	O(C[6,6]C[5,5,6,6]C[3x6]C)(H)	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(CC)(OH){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	H(OC[6,6])	105.4150	0.000	1	105.4150	0.000	1	105.4150	0.000	1	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6]O[6])(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6]O[6])(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CH)(O[6]O[6])(OH){3|H<1>,5|C<4>}	H(OC[6,6])	109.4980	0.000	2	109.4980	0.000	2	109.4883	0.000	3	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6]O[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6]O[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(O[6]C[6])(OH){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	H(OC[6,6])	109.4690	0.000	1	109.4690	0.000	1	109.4883	0.000	3	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]C[6]N[5]S[5])(C[6,6]O[6]2H)(O[6]C[6,6])(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]O[6])(H)	C[6,6](C[5,6]C[6]N[5]S[5])(C[6,6]O[6]2H)(O[6]C[6,6])(OH){1|C<3>,3|H<1>,4|C<4>}	H(OC[6,6])	99.9215	0.000	1	99.9215	0.000	1	99.9215	0.000	1	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:	O(C[6,6]C[6,6]2O)(H)	C[6,6](C[6,6]C[6]2C)2(OC)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2O)(H)	C[6,6](C[6,6]C[6]2C)2(OC)(OH){2|C<3>,2|N<4>,6|H<1>}	H(OC[6,6])	109.4597	0.014	3	109.4597	0.000	3	109.4650	0.001	17	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:	O(C[6,6]C[6,6]2O)(H)	C[6,6](C[6,6]C[6]2C)2(OH)2	H(OC[6,6])	O(C[6,6]C[6,6]2O)(H)	C[6,6](C[6,6]C[6]2C)2(OH)2{2|C<3>,2|N<4>,6|H<1>}	H(OC[6,6])	109.4661	0.042	14	109.4661	0.002	14	109.4650	0.001	17	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6,6])	109.4870	0.000	1	109.4807	0.001	3	109.4807	0.001	3	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH){2|C<3>,2|C<4>,2|H<1>}	H(OC[6,6])	109.4775	0.033	2	109.4807	0.001	3	109.4807	0.001	3	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[5,5,6,6]HH)(C[6]C[6]HH)(O[6]C[5,6])(OH){1|O<2>,2|H<1>,4|C<4>}	H(OC[6,6])	109.4525	0.018	2	109.4525	0.000	2	108.8252	4.978	14	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(OC[6,6])	109.4610	0.000	1	109.4675	0.000	2	108.8252	4.978	14	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O[6]C[6])(OH){4|C<4>,6|H<1>}	H(OC[6,6])	109.4740	0.000	1	109.4675	0.000	2	108.8252	4.978	14	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(OC[6,6])	113.9760	0.000	1	113.9760	0.000	1	108.8252	4.978	14	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]O[6]HH)(O[6]C[6,6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]O[6]HH)(O[6]C[6,6])(OH){1|C<3>,1|H<1>,2|C<4>}	H(OC[6,6])	103.8820	0.000	1	103.8820	0.000	1	108.8252	4.978	14	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(O[6]C[6])(OH){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(OC[6,6])	108.3520	0.000	1	108.3520	0.000	1	108.8252	4.978	14	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(OC[6,6])	107.9475	2.145	2	108.5004	1.863	7	108.8252	4.978	14	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(OC[6,6])	108.5295	1.289	4	108.5004	1.863	7	108.8252	4.978	14	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:2:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]O[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(OH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(OC[6,6])	109.4900	0.000	1	108.5004	1.863	7	108.8252	4.978	14	108.9052	3.985	43	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6a]-3:O-2:	O-2:	O(C[6,6]C[3,6,6]C[6,6]C[6a])(H)	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH)	H(OC[6,6])	O(C[6,6]C[3,6,6]C[6,6]C[6a])(H)	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH){6|C<3>,6|H<1>}	H(OC[6,6])	108.3640	2.601	6	108.3640	6.763	6	107.6176	4.971	11	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:C[6a]-3:O-2:	O-2:	O(C[6,6]C[3,6,6]C[6,6]C[6a])(H)	C[6,6](C[3,6,6]C[3,6]2H)(C[6,6]C[6a]C[6]2)(C[6a]C[6a]2)(OH)	H(OC[6,6])	O(C[6,6]C[3,6,6]C[6,6]C[6a])(H)	C[6,6](C[3,6,6]C[3,6]2H)(C[6,6]C[6a]C[6]2)(C[6a]C[6a]2)(OH){6|C<3>,6|H<1>}	H(OC[6,6])	106.7220	1.461	5	106.7220	2.135	5	107.6176	4.971	11	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[3,6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[3,6,6]C[6]2)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]HH)(C[6]C[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[3,6,6]C[6]2)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6,6]HH)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,3|H<1>}	H(OC[6,6])	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-3:O-2:	O-2:	O(C[6,6]C[3x6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(OH){2|C<4>,8|H<1>}	H(OC[6,6])	109.4230	0.000	1	109.4230	0.000	1	109.4695	0.004	2	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-3:O-2:	O-2:	O(C[6,6]C[3x6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)2(CSeN)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)2(CSeN)(OH){2|C<4>,8|H<1>}	H(OC[6,6])	109.5160	0.000	1	109.5160	0.000	1	109.4695	0.004	2	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6a]-3:O-2:	O-2:	O(C[6,6]C[3x6]2C[6a])(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]2C[6a])(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(OH){2|C<4>,3|C<3>,9|H<1>}	H(OC[6,6])	108.7520	0.000	1	108.7520	0.000	1	108.7520	0.000	1	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[5,3x6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[5,3x6]O[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)(OH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(OC[6,6])	109.4510	0.000	1	109.4510	0.000	1	110.4617	0.574	4	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|N<2>,1|O<1>,4|C<4>}	H(OC[6,6])	110.7190	0.567	2	110.7190	0.322	2	110.4617	0.574	4	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(OC[6,6])	110.9580	0.000	1	110.9580	0.000	1	110.4617	0.574	4	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	O-2:	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH)	H(OC[6,6])	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH){3|C<4>,4|H<1>}	H(OC[6,6])	104.7063	4.418	3	104.7063	19.519	3	105.8960	18.674	4	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	O-2:	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH)	H(OC[6,6])	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH){3|C<4>,4|H<1>}	H(OC[6,6])	109.4650	0.000	1	109.4650	0.000	1	105.8960	18.674	4	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[4,6]-4:C[6,6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[4,6]C[6,6]C[6])(H)	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[4,6]C[6,6]C[6])(H)	C[6,6](C[4,6]C[4,6]C[4]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(OC[6,6])	109.4420	0.000	1	109.4420	0.000	1	109.4420	0.000	1	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[5,3x6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[5,3x6]C[6]2)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH)	H(OC[6,6])	O(C[6,6]C[5,3x6]C[6]2)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	H(OC[6,6])	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH){2|C<4>,2|O<2>,3|C<3>,7|H<1>}	H(OC[6,6])	100.1150	0.000	1	100.1150	0.000	1	100.1150	0.000	1	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(OC[6,6])	107.1040	0.000	1	107.1040	0.000	1	108.2890	2.808	2	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)(OH){1|C<3>,2|H<1>,6|C<4>}	H(OC[6,6])	109.4740	0.000	1	109.4740	0.000	1	108.2890	2.808	2	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:N[6]-3:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6]N[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6]N[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(OC[6,6])	107.3490	0.000	1	107.3490	0.000	1	107.3490	0.000	1	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3,6]C[6]H)(C[6]C[6,6]O)(OH){1|O<2>,5|H<1>,7|C<4>}	H(OC[6,6])	109.4205	0.071	2	109.4205	0.005	2	106.8311	33.551	6	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(OH){2|C<3>,4|C<4>,4|H<1>}	H(OC[6,6])	104.2166	7.960	3	104.2166	63.365	3	106.8311	33.551	6	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]HO)(C[6]C[6]H)(OH){1|C<4>,3|C<3>,3|H<1>}	H(OC[6,6])	109.4960	0.000	1	109.4960	0.000	1	106.8311	33.551	6	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]O[6]O)(OH){1|O<2>,3|C<4>,4|H<1>}	H(OC[6,6])	108.4530	0.000	1	108.4530	0.000	1	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]CH)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]CH)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6,6])	110.6900	6.330	2	110.6900	40.069	2	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|O<2>,3|C<4>,5|H<1>}	H(OC[6,6])	108.4255	1.469	2	108.4255	2.157	2	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(OC[6,6])	108.1780	1.879	2	108.6120	2.331	3	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(OC[6,6])	109.4800	0.000	1	108.6120	2.331	3	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|C<3>,2|C<4>,6|H<1>}	H(OC[6,6])	109.4910	0.000	1	109.4910	0.000	1	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(C[6]C[6]O)(OH){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(OC[6,6])	109.5120	0.000	1	109.5120	0.000	1	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,7|H<1>}	H(OC[6,6])	109.4490	0.000	1	109.4490	0.000	1	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(OC[6,6])	109.4590	0.000	1	109.5305	0.041	6	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(OC[6,6])	109.4533	0.011	3	109.5305	0.041	6	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,7|H<1>}	H(OC[6,6])	109.4200	0.000	1	109.5305	0.041	6	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,8|H<1>}	H(OC[6,6])	109.9440	0.000	1	109.5305	0.041	6	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]N)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]N)(OH){1|O<1>,2|C<4>,6|H<1>}	H(OC[6,6])	111.0555	6.447	2	111.0555	41.560	2	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)(OH){1|O<2>,3|C<4>,6|H<1>}	H(OC[6,6])	109.0970	0.000	1	109.0970	0.000	1	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)(OH){3|C<4>,6|H<1>}	H(OC[6,6])	109.5020	0.000	1	109.5020	0.000	1	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<2>,2|C<4>,7|H<1>}	H(OC[6,6])	110.0225	3.234	2	109.7490	3.585	4	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,8|H<1>}	H(OC[6,6])	109.4755	0.015	2	109.7490	3.585	4	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HO)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(OC[6,6])	109.4600	0.000	1	109.4600	0.000	1	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HO)(C[6]C[6,6a]O)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HO)(C[6]C[6,6a]O)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(OC[6,6])	108.2400	0.000	1	108.2400	0.000	1	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(OC[6,6])	109.4280	0.000	1	109.4280	0.000	1	109.4639	4.253	28	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]N[6]C)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]N[6]C)(OH){1|C<3>,1|C<4>,3|H<1>}	H(OC[6,6])	109.4760	0.000	1	109.4760	0.000	1	109.9065	0.371	2	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:3:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	O-2:	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OH){1|O<1>,2|C<4>,6|H<1>}	H(OC[6,6])	110.3370	0.000	1	110.3370	0.000	1	109.9065	0.371	2	108.5727	8.995	65	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[3,6,6]C[3,6]C[6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[3,6,6]C[3,6]C[6])(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	H(OC[6,6])	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[3,6]C[6,6]C[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[3,6]C[6,6]C[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(OC[6,6])	103.6930	0.000	1	103.6930	0.000	1	107.5350	11.071	3	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[3,6]C[6,6]C[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[3,6]C[6,6]C[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]HO)(C[6]C[6]HH)(OH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(OC[6,6])	109.4750	0.000	1	109.4750	0.000	1	107.5350	11.071	3	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[3,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[3,6]C[6,6]C[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[3,6]C[6,6]C[6])(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(OH){3|H<1>,4|C<4>}	H(OC[6,6])	109.4370	0.000	1	109.4370	0.000	1	107.5350	11.071	3	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:O-2:	O-2:	O(C[6,6]C[3x6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)2(CCHH)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]2C)(H)	C[6,6](C[3x6]C[6,6]2H)2(CCHH)(OH){2|C<4>,8|H<1>}	H(OC[6,6])	109.4863	0.016	3	109.4863	0.000	3	109.6262	0.078	4	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C-4:O-2:	O-2:	O(C[6,6]C[3x6]2C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(CH3)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]2C)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(CH3)(OH){2|C<4>,2|H<1>,2|O<2>}	H(OC[6,6])	110.0460	0.000	1	110.0460	0.000	1	109.6262	0.078	4	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	O-2:	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){1|O<1>,2|H<1>,3|C<4>}	H(OC[6,6])	105.3075	2.341	2	107.4136	5.706	5	107.4136	5.706	5	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:O-2:	O-2:	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(OC[6,6])	108.8177	1.131	3	107.4136	5.706	5	107.4136	5.706	5	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(OC[6,6])	105.1440	0.000	1	105.1440	0.000	1	108.0410	6.295	3	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	H(OC[6,6])	109.4800	0.000	1	109.4800	0.000	1	108.0410	6.295	3	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(OC[6,6])	109.4990	0.000	1	109.4990	0.000	1	108.0410	6.295	3	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,3x6]-4:C[3,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,3x6]C[3,6]C[6])(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[5,3x6]C[3,6]C[6])(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OH){1|O<1>,3|C<4>,3|O<2>,7|H<1>}	H(OC[6,6])	109.4290	0.000	1	109.4290	0.000	1	109.4290	0.000	1	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH){11|H<1>,5|C<4>}	H(OC[6,6])	109.5500	0.000	1	109.5500	0.000	1	109.5285	0.001	2	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(OC[6,6])	109.5070	0.000	1	109.5070	0.000	1	109.5285	0.001	2	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)2(OH){1|O<1>,5|C<4>,6|H<1>}	H(OC[6,6])	109.4680	0.075	2	109.4680	0.006	2	109.5634	0.410	7	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,4|C<4>,4|H<1>}	H(OC[6,6])	109.4620	0.000	1	109.4620	0.000	1	109.5634	0.410	7	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]BrH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	H(OC[6,6])	108.7470	0.000	1	108.7470	0.000	1	109.5634	0.410	7	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]ClH)(C[6]N[6]HH)(OH){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	H(OC[6,6])	110.8820	0.000	1	110.8820	0.000	1	109.5634	0.410	7	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,6|H<1>}	H(OC[6,6])	109.4560	0.000	1	109.4560	0.000	1	109.5634	0.410	7	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[6]2)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6]C[6]HH)2(OH){3|C<4>,6|H<1>}	H(OC[6,6])	109.4610	0.000	1	109.4610	0.000	1	109.5634	0.410	7	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2H)(C[6]C[5,6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(OC[6,6])	109.5040	0.047	4	109.5040	0.002	4	109.7271	3.288	13	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	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)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	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)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(OC[6,6])	110.0333	2.771	6	109.9443	6.453	7	109.7271	3.288	13	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	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)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	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)(OH){1|N<3>,3|O<2>,4|C<4>,5|H<1>}	H(OC[6,6])	109.4100	0.000	1	109.9443	6.453	7	109.7271	3.288	13	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	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]HO)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	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]HO)(OH){1|N<4>,3|O<2>,4|C<4>,5|H<1>}	H(OC[6,6])	109.4560	0.000	1	109.4560	0.000	1	109.7271	3.288	13	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[5,6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6,6]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6]2O)(C[6]C[6]HH)(OH){1|N<3>,2|O<2>,4|C<4>,6|H<1>}	H(OC[6,6])	109.3700	0.000	1	109.3700	0.000	1	109.7271	3.288	13	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(OC[6,6])	107.6630	0.000	1	107.6630	0.000	1	109.0415	0.845	4	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(OH){1|O<2>,5|H<1>,7|C<4>}	H(OC[6,6])	109.4790	0.000	1	109.4790	0.000	1	109.0415	0.845	4	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(OC[6,6])	109.5240	0.000	1	109.5240	0.000	1	109.0415	0.845	4	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH){2|C<3>,4|C<4>,5|H<1>}	H(OC[6,6])	109.5000	0.000	1	109.5000	0.000	1	109.0415	0.845	4	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[3,6]-4:C[6,6]-4:O-2:	O-2:	O(C[6,6]C[3,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH)	H(OC[6,6])	O(C[6,6]C[3,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]Cl)(C[3,6]C[3,6]O[3]H)(C[6,6]C[6]2H)(OH){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(OC[6,6])	112.9150	0.000	1	112.9150	0.000	1	112.9150	0.000	1	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C-4:O-2:	O-2:	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH)	H(OC[6,6])	O(C[6,6]C[3x6]C[6,6]C)(H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(OC[6,6])	105.3890	0.000	1	105.3890	0.000	1	105.3890	0.000	1	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[3,6]C[6]H)(C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){1|C<3>,1|O<1>,2|O<2>,4|C<4>,6|H<1>}	H(OC[6,6])	107.8890	0.000	1	107.8890	0.000	1	111.6060	27.632	2	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[5,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(OC[6,6])	115.3230	0.000	1	115.3230	0.000	1	111.6060	27.632	2	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	O-2:	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(CSiHH)(OH){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(OC[6,6])	105.2710	0.000	1	105.2710	0.000	1	108.1290	8.573	5	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	O-2:	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){1|C<4>,2|C<3>,6|H<1>}	H(OC[6,6])	109.4270	0.000	1	110.1667	1.537	3	108.1290	8.573	5	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	O-2:	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(CCHH)(OH){3|C<3>,5|H<1>}	H(OC[6,6])	110.5365	1.501	2	110.1667	1.537	3	108.1290	8.573	5	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	O-2:	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6]2H)2(CH3)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C)(H)	C[6,6](C[6,6]C[6]2H)2(CH3)(OH){1|N<3>,1|S<4>,8|H<1>}	H(OC[6,6])	104.8740	0.000	1	104.8740	0.000	1	108.1290	8.573	5	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(OH){1|C<3>,5|H<1>,7|C<4>}	H(OC[6,6])	117.2840	0.000	1	117.2840	0.000	1	110.0781	11.327	9	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(OC[6,6])	109.4720	0.000	1	109.4720	0.000	1	110.0781	11.327	9	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	H(OC[6,6])	109.4550	0.000	1	109.4550	0.000	1	110.0781	11.327	9	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	H(OC[6,6])	109.4650	0.000	1	109.4690	0.000	2	110.0781	11.327	9	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){2|C<3>,4|C<4>,7|H<1>}	H(OC[6,6])	109.4730	0.000	1	109.4690	0.000	2	110.0781	11.327	9	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<1>,5|H<1>,6|C<4>}	H(OC[6,6])	104.3180	0.000	1	106.8960	13.292	2	110.0781	11.327	9	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(OH){1|O<2>,2|O<1>,4|C<4>,4|H<1>}	H(OC[6,6])	109.4740	0.000	1	106.8960	13.292	2	110.0781	11.327	9	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(OC[6,6])	111.9680	0.000	1	111.9680	0.000	1	110.0781	11.327	9	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]2C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6,6]C[6]3)(C[6]C[6]HH)(OH){10|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(OC[6,6])	109.7940	0.000	1	109.7940	0.000	1	110.0781	11.327	9	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(OC[6,6])	109.3930	0.000	1	109.3930	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	H(OC[6,6])	106.2505	4.536	2	106.2505	20.576	2	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)(OH){1|C<3>,2|C<4>,2|H<1>}	H(OC[6,6])	109.5110	0.000	1	109.5110	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	H(OC[6,6])	109.4610	0.018	2	109.4610	0.000	2	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,6|H<1>}	H(OC[6,6])	109.3990	0.000	1	109.0133	0.567	3	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	H(OC[6,6])	109.4950	0.000	1	109.0133	0.567	3	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	H(OC[6,6])	108.1460	0.000	1	109.0133	0.567	3	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	H(OC[6,6])	109.4465	0.018	2	109.6300	3.716	7	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){2|O<2>,3|C<4>,5|H<1>}	H(OC[6,6])	108.7897	1.354	4	109.6300	3.716	7	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	H(OC[6,6])	113.3580	0.000	1	109.6300	3.716	7	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]ClH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	H(OC[6,6])	107.0250	4.311	3	107.0250	18.585	3	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|O<2>,3|C<4>,6|H<1>}	H(OC[6,6])	109.4860	0.000	1	109.4860	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<2>,3|C<4>,6|H<1>}	H(OC[6,6])	109.4870	0.025	5	109.4870	0.001	5	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|C<3>,3|C<4>,6|H<1>}	H(OC[6,6])	109.4550	0.000	1	108.6088	14.319	12	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<1>,3|C<4>,5|H<1>}	H(OC[6,6])	109.6383	3.492	3	108.6088	14.319	12	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){1|O<2>,3|C<4>,6|H<1>}	H(OC[6,6])	107.9236	4.568	7	108.6088	14.319	12	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(OH){2|O<2>,3|C<4>,5|H<1>}	H(OC[6,6])	109.4700	0.000	1	108.6088	14.319	12	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(OC[6,6])	109.4780	0.000	1	109.4780	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HO)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,4|C<3>}	H(OC[6,6])	106.3140	0.000	1	106.3140	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]CO)(OH){1|O<2>,3|C<4>,6|H<1>}	H(OC[6,6])	109.4677	0.036	3	109.4677	0.001	3	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){3|C<4>,7|H<1>}	H(OC[6,6])	111.5340	0.000	1	111.5340	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]O[6]HO)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(OC[6,6])	106.2390	0.000	1	106.2390	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,3|C<3>,5|H<1>}	H(OC[6,6])	109.5140	0.000	1	109.5140	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2(OH){1|C<4>,2|O<1>,3|C<3>}	H(OC[6,6])	109.4880	0.000	1	109.4880	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(OC[6,6])	109.5180	0.000	1	109.4665	0.005	2	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(OC[6,6])	109.4150	0.000	1	109.4665	0.005	2	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6]HH)2(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(OC[6,6])	109.4820	0.000	1	109.4820	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|C<3>,2|C<4>,7|H<1>}	H(OC[6,6])	109.4725	0.042	2	109.4725	0.002	2	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(OC[6,6])	108.7260	0.000	1	108.7260	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(OC[6,6])	109.4540	0.004	2	110.0240	0.975	3	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|O<1>,3|C<4>,5|H<1>}	H(OC[6,6])	111.1640	0.000	1	110.0240	0.975	3	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(OC[6,6])	108.0580	0.000	1	108.0657	3.988	6	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,1|O<1>,2|C<4>,5|H<1>}	H(OC[6,6])	108.5890	0.718	2	108.0657	3.988	6	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,2|C<4>,7|H<1>}	H(OC[6,6])	104.2060	0.000	1	108.0657	3.988	6	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|O<1>,3|C<4>,5|H<1>}	H(OC[6,6])	109.4850	0.000	1	108.0657	3.988	6	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	H(OC[6,6])	109.4670	0.000	1	108.0657	3.988	6	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]HH)(OH){1|Br<1>,1|O<2>,3|C<4>,5|H<1>}	H(OC[6,6])	109.4420	0.000	1	109.4420	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(OC[6,6])	109.4650	0.000	1	109.4650	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(OC[6,6])	108.8870	0.000	1	109.5280	0.822	2	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]HO)(OH){3|C<4>,7|H<1>}	H(OC[6,6])	110.1690	0.000	1	109.5280	0.822	2	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){1|C<3>,1|N<4>,1|O<1>,2|C<4>,4|H<1>}	H(OC[6,6])	106.3200	0.000	1	108.3663	3.146	3	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){1|O<1>,2|C<4>,6|H<1>}	H(OC[6,6])	109.4660	0.000	1	108.3663	3.146	3	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(OH){2|C<3>,6|H<1>}	H(OC[6,6])	109.3130	0.000	1	108.3663	3.146	3	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,6|H<1>}	H(OC[6,6])	109.4340	0.000	1	109.4340	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(OC[6,6])	108.0020	0.000	1	108.6647	2.767	7	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(OC[6,6])	109.5080	0.000	1	108.6647	2.767	7	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(OC[6,6])	105.1140	0.000	1	108.6647	2.767	7	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|Cl<1>,4|H<1>,5|C<4>}	H(OC[6,6])	109.5137	0.034	3	108.6647	2.767	7	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	H(OC[6,6])	109.4880	0.000	1	108.6647	2.767	7	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HN)(OH){1|O<1>,3|C<4>,5|H<1>}	H(OC[6,6])	109.4500	0.000	1	109.4500	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(OC[6,6])	109.4740	0.000	1	109.4740	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(OC[6,6])	109.4765	0.103	2	109.4903	0.006	3	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)2(OH){1|O<2>,3|C<4>,6|H<1>}	H(OC[6,6])	109.5180	0.000	1	109.4903	0.006	3	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|F<1>,6|H<1>}	H(OC[6,6])	113.6590	1.915	2	113.6590	3.667	2	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|Br<1>,4|H<1>,5|C<4>}	H(OC[6,6])	107.9210	3.059	4	108.5577	4.194	10	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|Cl<1>,4|H<1>,5|C<4>}	H(OC[6,6])	108.5077	1.677	3	108.5577	4.194	10	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(OH){1|I<1>,4|H<1>,5|C<4>}	H(OC[6,6])	109.4567	0.017	3	108.5577	4.194	10	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2N)(C[6]C[5,6]CC)(C[6]C[6,6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2N)(C[6]C[5,6]CC)(C[6]C[6,6]HH)(OH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(OC[6,6])	109.3840	0.000	1	109.3840	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(OC[6,6])	109.5150	0.000	1	109.5150	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(OC[6,6])	109.6185	4.067	12	109.5987	13.997	14	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,6|H<1>}	H(OC[6,6])	109.4800	0.018	2	109.5987	13.997	14	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	H(OC[6,6])	109.4320	0.000	1	109.4320	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,6|H<1>}	H(OC[6,6])	109.4760	0.027	6	109.4760	0.001	6	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){1|C<3>,2|C<4>,6|H<1>}	H(OC[6,6])	109.4860	0.000	1	109.2772	0.350	9	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){1|O<2>,2|C<4>,7|H<1>}	H(OC[6,6])	109.5090	0.000	1	109.2772	0.350	9	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]HH)2(OH){2|C<4>,2|O<2>,6|H<1>}	H(OC[6,6])	109.2143	0.668	7	109.2772	0.350	9	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]C[6]ClH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6]HH)(C[6]C[6]ClH)(OH){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	H(OC[6,6])	109.4150	0.000	1	109.4150	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6,6])	109.5600	0.000	1	109.5027	0.004	3	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<4>,3|H<1>,3|O<2>}	H(OC[6,6])	109.4740	0.062	2	109.5027	0.004	3	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]N[6]HH)(OH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(OC[6,6])	108.0490	0.000	1	108.0490	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]P[6,6]HH)(C[6]C[6]HH)2(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6,6]P[6,6]HH)(C[6]C[6]HH)2(OH){1|S<1>,2|C<4>,4|H<1>}	H(OC[6,6])	110.6780	0.000	1	110.6780	0.000	1	109.1203	4.896	131	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[5,5,6,6]HH)(C[6,6]C[6]2C)(C[6]C[6]HO)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(OC[6,6])	109.4600	0.000	1	109.4600	0.000	1	108.0285	4.098	2	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:O-2:	O-2:	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	H(OC[6,6])	O(C[6,6]C[6,6]C[6]2)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<4>,3|C<3>,7|H<1>}	H(OC[6,6])	106.5970	0.000	1	106.5970	0.000	1	108.0285	4.098	2	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6,6]	H	4:1:	4:4:4:2:	2:	C[6,6]-4:H-1:	Si[5]-4:C[3x6]-4:C[3x6]-4:O-2:	O-2:	O(C[6,6]C[3x6]2Si[5])(H)	C[6,6](Si[5]C[6,6]C[5]2)(C[3x6]C[6,6]2H)2(OH)	H(OC[6,6])	O(C[6,6]C[3x6]2Si[5])(H)	C[6,6](Si[5]C[6,6]C[5]2)(C[3x6]C[6,6]2H)2(OH){1|O<2>,4|C<3>,4|C<4>,8|H<1>}	H(OC[6,6])	109.4425	0.053	2	109.4425	0.003	2	109.4425	0.003	2	109.1448	5.052	196	108.8833	7.004	700	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	2:3:3:2:	2:	C[6]-4:H-1:	O[6]-2:C[6]-3:C-3:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(OH){3|C<3>}	H(OC[6])	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	2:3:4:2:	2:	C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[5,6])(C[6]C[6]C)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[5,6])(C[6]C[6]C)(CCHH)(OH){1|Cl<1>,1|H<1>,3|C<4>}	H(OC[6])	109.4150	0.000	1	109.4150	0.000	1	109.1251	2.900	8	109.1251	2.900	8	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	2:3:4:2:	2:	C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CF3)(OH){1|H<1>,1|N<3>,2|C<3>}	H(OC[6])	109.5435	4.154	2	109.5435	17.258	2	109.1251	2.900	8	109.1251	2.900	8	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	2:3:4:2:	2:	C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)(OH){1|H<1>,2|C<3>}	H(OC[6])	109.0807	0.752	4	109.0807	0.565	4	109.1251	2.900	8	109.1251	2.900	8	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	2:3:4:2:	2:	C[6]-4:H-1:	O[6]-2:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CHHO)(OH){1|H<1>,2|C<3>}	H(OC[6])	108.1760	0.000	1	108.1760	0.000	1	109.1251	2.900	8	109.1251	2.900	8	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	2:4:2:1:	2:	C[6]-4:H-1:	O[6]-2:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OH)(H){1|H<1>,3|C<3>}	H(OC[6])	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.2970	0.057	3	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	2:4:2:1:	2:	C[6]-4:H-1:	S[6]-2:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]S[6]H)(H)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]S[6]H)(H)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>}	H(OC[6])	109.1920	0.219	2	109.1920	0.048	2	109.1920	0.048	2	109.2970	0.057	3	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	2:4:3:2:	2:	C[6]-4:H-1:	O[6]-2:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH){1|H<1>,3|C<3>}	H(OC[6])	108.3633	1.130	7	108.3633	1.278	7	108.4925	1.229	8	108.4925	1.229	8	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	2:4:3:2:	2:	C[6]-4:H-1:	O[6]-2:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH){2|C<3>}	H(OC[6])	109.3970	0.000	1	109.3970	0.000	1	108.4925	1.229	8	108.4925	1.229	8	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	2:4:4:2:	2:	C[6]-4:H-1:	O[6]-2:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CF3)(OH){1|O<1>,2|C<3>}	H(OC[6])	106.9930	0.000	1	106.9930	0.000	1	108.6247	1.997	3	108.6247	1.997	3	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	2:4:4:2:	2:	C[6]-4:H-1:	O[6]-2:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,3|C<3>}	H(OC[6])	109.4405	0.026	2	109.4405	0.001	2	108.6247	1.997	3	108.6247	1.997	3	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(OC[6])	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	108.7405	3.411	6	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:N[6]-2:O-2:H-1:	O-2:	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H){1|H<1>,1|N<3>,3|C<3>}	H(OC[6])	109.4240	0.000	1	109.4240	0.000	1	109.4240	0.000	1	108.7405	3.411	6	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6,6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H){1|H<1>,1|O<1>,3|C<3>}	H(OC[6])	106.6270	1.428	2	106.6270	2.040	2	108.3918	5.199	4	108.7405	3.411	6	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6,6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(OC[6])	109.4150	0.000	1	109.4150	0.000	1	108.3918	5.199	4	108.7405	3.411	6	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6,6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H){1|O<1>,1|O<2>,3|C<3>}	H(OC[6])	110.8980	0.000	1	110.8980	0.000	1	108.3918	5.199	4	108.7405	3.411	6	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:O[6]-2:C-3:O-2:	O-2:	O(C[6]C[6,6a]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH)	H(OC[6])	O(C[6]C[6,6a]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH){1|H<1>,1|O<2>,4|C<3>}	H(OC[6])	111.3640	0.000	2	111.3640	0.000	2	111.3640	0.000	2	109.8102	1.890	8	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:3:2:	2:	C[6]-4:H-1:	C[6]-3:N[6]-2:C-3:O-2:	O-2:	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6])(COO)(OH)	H(OC[6])	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6])(COO)(OH){2|C<3>,2|O<1>}	H(OC[6])	107.1190	0.000	1	107.1190	0.000	1	107.1190	0.000	1	109.8102	1.890	8	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:3:2:	2:	C[6]-4:H-1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	O-2:	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH)	H(OC[6])	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH){3|H<1>,4|C<3>}	H(OC[6])	110.6750	0.000	1	110.6750	0.000	1	109.7270	0.282	5	109.8102	1.890	8	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:3:2:	2:	C[6]-4:H-1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	O-2:	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	H(OC[6])	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){1|Br<1>,2|H<1>,4|C<3>}	H(OC[6])	109.5045	0.059	2	109.4900	0.001	4	109.7270	0.282	5	109.8102	1.890	8	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:3:2:	2:	C[6]-4:H-1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	O-2:	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	H(OC[6])	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){3|H<1>,4|C<3>}	H(OC[6])	109.4755	0.005	2	109.4900	0.001	4	109.7270	0.282	5	109.8102	1.890	8	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6,6a]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH)	H(OC[6])	O(C[6]C[6,6a]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH){1|H<1>,4|C<3>}	H(OC[6])	106.5360	0.000	1	106.5360	0.000	1	106.5360	0.000	1	110.3430	14.639	5	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:4:2:	2:	C[6]-4:H-1:	C[6]-3:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[6])	109.4560	0.000	1	109.4560	0.000	1	113.1290	26.982	2	110.3430	14.639	5	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:4:2:	2:	C[6]-4:H-1:	C[6]-3:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>}	H(OC[6])	116.8020	0.000	1	116.8020	0.000	1	113.1290	26.982	2	110.3430	14.639	5	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:4:2:	2:	C[6]-4:H-1:	C[6]-3:O[6]-2:C[6]-4:O-2:	O-2:	O(C[6]C[6]2O[6])(H)	C[6](C[6]C[6]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[6]2O[6])(H)	C[6](C[6]C[6]N[6])(O[6]C[6,6a])(C[6]C[6]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	H(OC[6])	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	110.3430	14.639	5	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:2:4:2:	2:	C[6]-4:H-1:	C[6a]-3:O[6]-2:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH)	H(OC[6])	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH){1|Br<1>,2|H<1>,4|C<3>}	H(OC[6])	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	110.3430	14.639	5	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:N[5a,6]-3:O-2:H-1:	O-2:	O(C[6]C[5a,6]N[5a,6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(OH)(H)	H(OC[6])	O(C[6]C[5a,6]N[5a,6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(OH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(OC[6])	108.6000	0.000	1	108.6000	0.000	1	108.6000	0.000	1	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[6])	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	H(OC[6])	O(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|H<1>,4|C<3>}	H(OC[6])	105.1070	0.000	1	107.7878	5.592	8	107.7878	5.592	8	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	H(OC[6])	O(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|O<2>,4|C<3>}	H(OC[6])	107.8060	3.302	3	107.7878	5.592	8	107.7878	5.592	8	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	H(OC[6])	O(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|H<1>,5|C<3>}	H(OC[6])	108.8220	0.000	1	107.7878	5.592	8	107.7878	5.592	8	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	H(OC[6])	O(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|O<2>,5|C<3>}	H(OC[6])	108.3183	2.030	3	107.7878	5.592	8	107.7878	5.592	8	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6])	111.6280	0.000	1	109.5455	8.674	2	109.5152	2.893	4	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|H<1>}	H(OC[6])	107.4630	0.000	1	109.5455	8.674	2	109.5152	2.893	4	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[6])	109.4850	0.047	2	109.4850	0.002	2	109.5152	2.893	4	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:N[5,6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]N[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]N[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H){1|H<1>,3|C<4>,4|C<3>}	H(OC[6])	109.5040	0.000	1	109.5040	0.000	1	109.5040	0.000	1	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:N[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]N[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]N[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(OC[6])	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	H(OC[6])	109.4210	0.000	1	109.4210	0.000	1	107.4797	5.217	3	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(OC[6])	108.0550	0.000	1	108.0550	0.000	1	107.4797	5.217	3	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>}	H(OC[6])	104.9630	0.000	1	104.9630	0.000	1	107.4797	5.217	3	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6]-3:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	H(OC[6])	103.1810	0.000	1	103.1810	0.000	1	107.1100	9.022	4	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6]-3:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	109.4370	0.000	1	109.4370	0.000	1	107.1100	9.022	4	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6]-3:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|N<2>,2|C<3>}	H(OC[6])	106.3410	0.000	1	106.3410	0.000	1	107.1100	9.022	4	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	C[6]-3:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]O[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]O[6]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[6])	109.4810	0.000	1	109.4810	0.000	1	107.1100	9.022	4	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	N[5,6]-3:C[6]-3:O-2:H-1:	O-2:	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(OC[6])	109.8390	0.000	1	109.8390	0.000	1	109.8390	0.000	1	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	N[5a,6]-3:C[6]-3:O-2:H-1:	O-2:	O(C[6]N[5a,6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]N[5a,6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]H)(OH)(H){1|N<2>,2|C<3>,2|H<1>}	H(OC[6])	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	N[6]-3:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](N[6]C[5,6]C)(C[6]N[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](N[6]C[5,6]C)(C[6]N[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<3>}	H(OC[6])	103.8880	0.000	1	103.8880	0.000	1	105.6300	6.069	2	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:1:	2:	C[6]-4:H-1:	N[6]-3:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<3>}	H(OC[6])	107.3720	0.000	1	107.3720	0.000	1	105.6300	6.069	2	108.0291	4.865	28	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	O-2:	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	H(OC[6])	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Br<1>,1|H<1>,5|C<3>}	H(OC[6])	109.4750	0.000	1	108.6037	6.556	14	108.6037	6.556	14	107.9857	5.842	34	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	O-2:	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	H(OC[6])	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|C<4>,2|H<1>,4|C<3>}	H(OC[6])	108.1385	1.583	4	108.6037	6.556	14	108.6037	6.556	14	107.9857	5.842	34	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	O-2:	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	H(OC[6])	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	H(OC[6])	108.7329	3.294	8	108.6037	6.556	14	108.6037	6.556	14	107.9857	5.842	34	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	O-2:	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	H(OC[6])	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){2|H<1>,5|C<3>}	H(OC[6])	108.5600	0.000	1	108.6037	6.556	14	108.6037	6.556	14	107.9857	5.842	34	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C-2:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[6])	107.4880	1.686	4	107.4880	2.843	4	107.4880	2.843	4	107.9857	5.842	34	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]Br)2(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]Br)2(CC)(OH){2|Br<1>,1|C<4>}	H(OC[6])	108.1417	1.922	3	108.1417	3.695	3	108.2209	6.777	10	107.9857	5.842	34	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]C)2(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]C)2(CC)(OH){1|C<3>,2|C<4>}	H(OC[6])	105.6690	3.592	2	105.6690	12.903	2	108.2209	6.777	10	107.9857	5.842	34	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]Cl)2(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]Cl)2(CC)(OH){2|Cl<1>,1|C<4>}	H(OC[6])	113.1950	0.000	1	113.1950	0.000	1	108.2209	6.777	10	107.9857	5.842	34	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]F)2(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]F)2(CC)(OH){1|C<4>,2|F<1>}	H(OC[6])	108.6127	0.950	3	108.6127	0.903	3	108.2209	6.777	10	107.9857	5.842	34	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]H)2(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]H)2(CC)(OH){1|C<4>,2|H<1>}	H(OC[6])	107.4130	0.000	1	107.4130	0.000	1	108.2209	6.777	10	107.9857	5.842	34	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:O-2:O-2:	O-2:	O(C[6]C[6]2O)(H)	C[6](C[6]N[6]O)2(OH)2	H(OC[6])	O(C[6]C[6]2O)(H)	C[6](C[6]N[6]O)2(OH)2{1|C<3>,2|H<1>}	H(OC[6])	106.6150	2.408	4	106.6150	5.797	4	106.6150	5.797	4	107.9857	5.842	34	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:2:2:	2:	C[6]-4:H-1:	C[6]-3:C[6a]-3:O[6]-2:O-2:	O-2:	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH)	H(OC[6])	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH){1|H<1>,1|O<2>,6|C<3>}	H(OC[6])	106.2200	0.000	2	106.2200	0.000	2	106.2200	0.000	2	107.9857	5.842	34	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6]C[5a,6]C[6,6a]C[6a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[6])	O(C[6]C[5a,6]C[6,6a]C[6a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	H(OC[6])	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:O-2:	O-2:	O(C[6]C[5a,6]C[6a]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH)	H(OC[6])	O(C[6]C[5a,6]C[6a]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|C<4>,4|C<3>,4|H<1>}	H(OC[6])	109.5390	0.000	1	109.5390	0.000	1	109.5390	0.000	1	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[5a]-3:C[6]-3:O-2:	O-2:	O(C[6]C[6,6a]C[5a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH)	H(OC[6])	O(C[6]C[6,6a]C[5a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH){1|N<2>,2|H<1>,5|C<3>}	H(OC[6])	110.3230	0.000	1	110.3230	0.000	1	110.3230	0.000	1	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH)	H(OC[6])	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,7|C<3>}	H(OC[6])	106.4510	0.000	1	106.4510	0.000	1	108.6473	8.928	29	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH)	H(OC[6])	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH){1|O<2>,3|H<1>,7|C<3>}	H(OC[6])	111.6560	4.443	3	111.6560	19.738	3	108.6473	8.928	29	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	H(OC[6])	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	H(OC[6])	110.8328	1.888	6	108.3742	7.361	25	108.6473	8.928	29	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	H(OC[6])	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	H(OC[6])	103.0800	3.226	2	108.3742	7.361	25	108.6473	8.928	29	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	H(OC[6])	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,4|H<1>,6|C<3>}	H(OC[6])	107.9693	1.791	16	108.3742	7.361	25	108.6473	8.928	29	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	H(OC[6])	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){2|O<2>,3|H<1>,6|C<3>}	H(OC[6])	110.6890	0.000	1	108.3742	7.361	25	108.6473	8.928	29	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C-3:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH){1|H<1>,1|O<2>,3|C<3>}	H(OC[6])	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	O-2:	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH){1|C<4>,3|H<1>,5|C<3>}	H(OC[6])	109.4625	0.018	2	109.4625	0.000	2	109.4625	0.000	2	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:O-2:	O-2:	O(C[6]C[6,6a]N[5a,6]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH)	H(OC[6])	O(C[6]C[6,6a]N[5a,6]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	H(OC[6])	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:N[6]-3:C-3:O-2:	O-2:	O(C[6]C[6,6a]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH)	H(OC[6])	O(C[6]C[6,6a]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(OC[6])	107.9120	0.093	2	107.9120	0.009	2	107.9120	0.009	2	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)(OH){1|C<4>,3|H<1>}	H(OC[6])	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C[6]-3:O-2:	O-2:	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2)(C[6]N[6]O)2(OH)	H(OC[6])	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2)(C[6]N[6]O)2(OH){1|C<3>,2|C<4>,2|N<3>,2|O<1>}	H(OC[6])	103.8250	0.000	1	103.8250	0.000	1	103.8250	0.000	1	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-3:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,5|C<3>}	H(OC[6])	112.5890	0.000	1	106.5187	27.669	3	106.5187	27.669	3	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-3:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|H<1>,5|C<3>}	H(OC[6])	103.4835	0.254	2	106.5187	27.669	3	106.5187	27.669	3	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6]-3:C[6a]-3:N[6]-3:O-2:	O-2:	O(C[6]C[6a]C[6]N[6])(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]O)(OH)	H(OC[6])	O(C[6]C[6a]C[6]N[6])(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]O)(OH){1|O<1>,2|H<1>,4|C<3>}	H(OC[6])	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH){1|C<4>,2|C<3>,4|H<1>}	H(OC[6])	106.9040	1.677	2	106.9040	2.813	2	108.5132	5.062	4	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:3:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(OH){1|O<2>,3|C<3>,3|H<1>}	H(OC[6])	110.1225	1.419	2	110.1225	2.014	2	108.5132	5.062	4	108.4850	7.859	48	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(OC[6])	109.4890	0.055	3	109.4890	0.003	3	109.4890	0.003	3	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[5a,6]C[6a]C[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH)	H(OC[6])	O(C[6]C[5a,6]C[6a]C[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(OC[6])	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[5a]-3:C[6]-3:C[6]-4:O-2:	O-2:	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(C[6]C[6]CC)(OH)	H(OC[6])	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(C[6]C[6]CC)(OH){3|H<1>,4|C<3>}	H(OC[6])	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	H(OC[6])	109.4805	0.040	2	109.4805	0.002	2	109.4805	0.002	2	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6,6]C[6a]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	H(OC[6])	O(C[6]C[6,6]C[6a]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){3|C<3>,3|C<4>,5|H<1>}	H(OC[6])	109.0620	1.109	2	109.0620	1.229	2	109.0620	1.229	2	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(OC[6])	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH)	H(OC[6])	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	H(OC[6])	103.1650	0.000	1	103.1650	0.000	1	107.5859	12.767	17	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|H<1>,1|O<2>,5|C<3>}	H(OC[6])	109.5440	0.000	1	109.5440	0.000	1	107.5859	12.767	17	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<2>,5|C<3>}	H(OC[6])	108.0157	6.649	4	107.0091	20.728	8	107.5859	12.767	17	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<3>,5|C<3>}	H(OC[6])	106.0025	1.208	4	107.0091	20.728	8	107.5859	12.767	17	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(OH)	H(OC[6])	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(OH){1|C<4>,2|C<3>,2|N<2>,2|O<2>}	H(OC[6])	109.5530	0.042	2	109.5530	0.002	2	107.5859	12.767	17	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH){1|C<4>,2|H<1>,4|C<3>}	H(OC[6])	109.4715	0.006	2	109.2177	0.193	3	107.5859	12.767	17	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH){2|H<1>,5|C<3>}	H(OC[6])	108.7100	0.000	1	109.2177	0.193	3	107.5859	12.767	17	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH)	H(OC[6])	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH){1|C<4>,2|H<1>,4|C<3>}	H(OC[6])	109.4930	0.000	1	109.4930	0.000	1	107.5859	12.767	17	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH){2|H<1>,5|C<3>}	H(OC[6])	103.9270	0.000	1	103.9270	0.000	1	107.5859	12.767	17	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6,6a]2C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2O)(OH)	H(OC[6])	O(C[6]C[6,6a]2C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2O)(OH){1|C<4>,2|H<1>,8|C<3>}	H(OC[6])	109.4240	0.000	1	109.4240	0.000	1	109.4240	0.000	1	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH){2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	119.1990	0.000	1	119.1990	0.000	1	109.9061	8.232	14	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH){1|H<1>,4|C<3>}	H(OC[6])	109.4705	0.006	2	109.4705	0.000	2	109.9061	8.232	14	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH){1|H<1>,4|C<3>}	H(OC[6])	106.9260	0.000	1	106.9260	0.000	1	109.9061	8.232	14	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH){1|H<1>,4|C<3>}	H(OC[6])	107.7150	0.000	1	107.7150	0.000	1	109.9061	8.232	14	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	H(OC[6])	109.4467	0.019	3	109.4467	0.000	3	109.9061	8.232	14	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6])	109.8390	2.278	2	109.8390	5.191	2	109.9061	8.232	14	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[6])	109.4800	0.030	3	109.4800	0.001	3	109.9061	8.232	14	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH){1|C<4>,4|C<3>}	H(OC[6])	109.4470	0.000	1	109.4470	0.000	1	109.9061	8.232	14	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH){5|C<3>,5|H<1>}	H(OC[6])	109.4730	0.000	1	109.4730	0.000	1	108.8590	1.159	3	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(OC[6])	109.4880	0.000	1	109.4880	0.000	1	108.8590	1.159	3	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH){2|C<4>,2|H<1>,5|C<3>}	H(OC[6])	107.6160	0.000	1	107.6160	0.000	1	108.8590	1.159	3	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]N[5a,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH)	H(OC[6])	O(C[6]C[6,6a]N[5a,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH){1|H<1>,5|C<3>}	H(OC[6])	109.4590	0.000	1	109.4590	0.000	1	109.4713	0.000	3	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]N[5a,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]N[5a,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	H(OC[6])	109.4775	0.016	2	109.4775	0.000	2	109.4713	0.000	3	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]O)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]O)2(CH3)(OH){2|C<3>,3|C<4>}	H(OC[6])	109.3076	1.614	5	109.3076	2.605	5	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)(OH){1|O<1>,2|C<3>}	H(OC[6])	106.8175	5.300	2	106.8175	28.088	2	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCHH)(OH){1|H<1>,2|C<3>}	H(OC[6])	109.4920	0.000	1	109.4920	0.000	1	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)(OH){1|C<3>,2|H<1>}	H(OC[6])	109.4640	0.052	2	109.4640	0.003	2	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]H)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]H)2(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6])	105.4380	0.000	1	108.9747	3.246	6	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]H)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]H)2(CH3)(OH){1|C<3>,2|C<4>}	H(OC[6])	110.0435	0.886	2	108.9747	3.246	6	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]H)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]H)2(CH3)(OH){1|C<4>,2|H<1>}	H(OC[6])	109.4410	0.028	3	108.9747	3.246	6	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	H(OC[6])	109.4945	0.042	2	109.4945	0.002	2	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]O)2(CC[6]HH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]O)2(CC[6]HH)(OH){1|H<1>,4|C<4>}	H(OC[6])	109.4230	0.000	1	109.4230	0.000	1	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]O)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]O)2(CH3)(OH){1|C<4>,2|C<3>}	H(OC[6])	109.0110	0.000	1	109.3280	0.075	3	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]O)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]O)2(CH3)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.4820	0.000	1	109.3280	0.075	3	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]O)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]O)2(CH3)(OH){3|C<3>}	H(OC[6])	109.4910	0.000	1	109.3280	0.075	3	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)(OH){1|H<1>,4|C<3>}	H(OC[6])	109.4510	0.000	1	109.4510	0.000	1	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(OH){1|C<4>,4|C<3>}	H(OC[6])	105.4070	0.000	1	105.4070	0.000	1	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]N[6]O)2(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]N[6]O)2(CCHH)(OH){1|C<3>,2|H<1>}	H(OC[6])	111.5510	0.000	1	111.5510	0.000	1	109.0098	3.591	25	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]HH)(OH){1|S<4>,2|H<1>,4|C<3>}	H(OC[6])	110.8850	0.000	1	110.8850	0.000	1	109.5928	0.166	12	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CC)(OH){4|C<3>,4|H<1>}	H(OC[6])	109.4720	0.000	1	109.4720	0.000	1	109.5928	0.166	12	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH){4|C<3>,4|H<1>}	H(OC[6])	109.4887	0.024	4	109.4887	0.001	4	109.5928	0.166	12	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]HH)(OH){1|S<4>,2|H<1>,4|C<3>}	H(OC[6])	109.4370	0.000	1	109.4370	0.000	1	109.5928	0.166	12	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]CH)(OH){2|H<1>,4|C<3>}	H(OC[6])	109.4985	0.026	2	109.4985	0.001	2	109.5928	0.166	12	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){2|C<4>,2|H<1>,5|C<3>}	H(OC[6])	109.4730	0.000	1	109.4730	0.000	1	109.5928	0.166	12	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH){1|C<4>,2|H<1>,5|C<3>}	H(OC[6])	109.4340	0.000	1	109.4340	0.000	1	109.5928	0.166	12	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH){1|C<4>,2|H<1>,5|C<3>}	H(OC[6])	109.4600	0.000	1	109.4600	0.000	1	109.5928	0.166	12	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH)	H(OC[6])	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6])	109.5290	0.000	1	109.5290	0.000	1	109.4626	0.002	5	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]N[6]C)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(OH)	H(OC[6])	O(C[6]C[6]N[6]C)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	H(OC[6])	109.4440	0.000	1	109.4440	0.000	1	109.4626	0.002	5	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]N[6]C)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH)	H(OC[6])	O(C[6]C[6]N[6]C)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	H(OC[6])	109.4467	0.017	3	109.4467	0.000	3	109.4626	0.002	5	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:3:4:2:	2:	C[6]-4:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]N[5,6]C[6a]C[6])(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	H(OC[6])	O(C[6]N[5,6]C[6a]C[6])(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(OC[6])	111.0660	2.216	2	111.0660	4.911	2	111.0660	4.911	2	109.0537	5.225	92	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[3x6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	H(OC[6])	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(OC[6])	103.4990	0.000	1	103.4990	0.000	1	108.1834	4.839	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(OC[6])	109.4687	0.034	3	109.4687	0.001	3	108.1834	4.839	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,4|C<4>}	H(OC[6])	105.2440	0.000	1	105.2440	0.000	1	108.1834	4.839	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(OC[6])	109.4550	0.012	3	109.4433	0.001	7	108.1834	4.839	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(OC[6])	109.4345	0.032	4	109.4433	0.001	7	108.1834	4.839	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(OC[6])	106.9810	0.000	1	106.9810	0.000	1	108.1834	4.839	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	H(OC[6])	104.3350	0.000	1	104.3350	0.000	1	108.1834	4.839	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[3x6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[3x6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[3x6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(OC[6])	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	H(OC[6])	110.9737	1.114	4	110.9737	1.240	4	111.3012	3.492	6	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H){1|H<1>,1|N<3>,1|S<2>,2|O<1>,4|C<3>}	H(OC[6])	114.4510	0.000	1	114.4510	0.000	1	111.3012	3.492	6	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(OH)(H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(OC[6])	109.4610	0.000	1	109.4610	0.000	1	111.3012	3.492	6	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6,6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6,6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	H(OC[6])	109.4420	0.000	1	109.4420	0.000	1	109.4420	0.000	1	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.4340	0.000	1	109.4340	0.000	1	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	112.8265	1.278	2	115.7233	25.991	3	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	121.5170	0.000	1	115.7233	25.991	3	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(OC[6])	106.2110	0.000	1	106.2110	0.000	1	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6])	109.5540	0.000	1	109.5540	0.000	1	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(OC[6])	110.0070	0.000	1	110.0070	0.000	1	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(OC[6])	109.4610	0.000	1	109.4610	0.000	1	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H){2|H<1>,4|C<3>}	H(OC[6])	118.1030	0.000	1	118.1030	0.000	1	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(OC[6])	112.3540	0.000	1	112.3540	0.000	1	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	H(OC[6])	110.3456	5.048	5	110.3456	25.481	5	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(OC[6])	109.4630	0.000	1	109.5115	0.005	2	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6])	109.5600	0.000	1	109.5115	0.005	2	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(OC[6])	109.4360	0.000	1	109.4360	0.000	1	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(OC[6])	109.4670	0.000	1	109.4670	0.000	1	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<2>}	H(OC[6])	107.5535	5.037	2	107.5535	25.369	2	110.8121	18.186	21	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H){1|C<3>,5|C<4>,7|H<1>}	H(OC[6])	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[4,6,6]C[5,6])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[4,6,6]C[5,6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	H(OC[6])	109.4520	0.000	1	109.4520	0.000	1	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	130.9320	0.000	1	130.9320	0.000	1	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	H(OC[6])	109.4790	0.000	1	109.4560	0.001	2	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,4|C<4>}	H(OC[6])	109.4330	0.000	1	109.4560	0.001	2	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,4|C<4>}	H(OC[6])	109.4655	0.006	2	109.4655	0.000	2	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){1|H<1>,6|C<4>}	H(OC[6])	109.5130	0.000	1	109.5310	0.001	2	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){7|C<4>}	H(OC[6])	109.5490	0.000	1	109.5310	0.001	2	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[6])	104.8710	4.360	2	108.5503	5.875	10	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(OC[6])	109.4300	0.000	1	108.5503	5.875	10	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(OC[6])	109.4750	0.000	1	108.5503	5.875	10	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	H(OC[6])	109.4700	0.013	2	108.5503	5.875	10	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){3|H<1>,4|C<4>}	H(OC[6])	109.4790	0.084	4	108.5503	5.875	10	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	H(OC[6])	109.4680	0.000	1	109.4680	0.000	1	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[6])	109.4580	0.000	1	109.4580	0.000	1	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6])	110.1220	1.207	4	110.1220	1.456	4	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	H(OC[6])	109.4830	0.000	1	109.8414	1.517	10	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4607	0.031	4	109.8414	1.517	10	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	H(OC[6])	108.4530	0.000	1	109.8414	1.517	10	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	111.0517	1.802	3	109.8414	1.517	10	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	H(OC[6])	109.4800	0.000	1	109.8414	1.517	10	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	H(OC[6])	109.4910	0.000	2	108.9463	0.890	3	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){3|C<4>,4|H<1>}	H(OC[6])	107.8570	0.000	1	108.9463	0.890	3	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>}	H(OC[6])	109.4910	0.000	1	109.4910	0.000	1	109.9197	14.540	38	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[3,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[3,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H){2|C<4>,3|C<3>,3|O<2>}	H(OC[6])	106.6958	2.721	8	106.6958	7.405	8	107.2503	7.126	10	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[3,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[3,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H){1|N<3>,3|C<3>,3|H<1>}	H(OC[6])	109.4830	0.000	1	109.4830	0.000	1	107.2503	7.126	10	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[3,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[3,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	109.4540	0.000	1	109.4540	0.000	1	107.2503	7.126	10	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(OC[6])	109.4640	0.000	1	109.4698	0.000	5	109.1132	3.106	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(OC[6])	109.4810	0.020	2	109.4698	0.000	5	109.1132	3.106	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(OC[6])	109.4560	0.000	1	109.4698	0.000	5	109.1132	3.106	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	H(OC[6])	109.4670	0.000	1	109.4698	0.000	5	109.1132	3.106	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(OC[6])	109.2900	0.218	2	108.9937	0.287	3	109.1132	3.106	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(OC[6])	108.4010	0.000	1	108.9937	0.287	3	109.1132	3.106	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	H(OC[6])	103.6440	0.000	1	103.6440	0.000	1	109.1132	3.106	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H){1|S<2>,2|H<1>,2|O<1>,4|C<3>}	H(OC[6])	109.4770	0.000	1	109.4770	0.000	1	109.1132	3.106	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	H(OC[6])	110.4245	1.255	2	110.4245	1.575	2	109.1132	3.106	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(OC[6])	108.3180	0.000	1	108.3180	0.000	1	109.1132	3.106	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	110.9670	0.000	1	110.9670	0.000	1	109.1132	3.106	14	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(OC[6])	109.4845	0.029	2	109.3520	0.601	8	109.1566	1.145	20	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(OC[6])	109.0040	0.941	4	109.3520	0.601	8	109.1566	1.145	20	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	H(OC[6])	109.4710	0.000	1	109.3520	0.601	8	109.1566	1.145	20	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){2|H<1>,5|C<3>}	H(OC[6])	110.3600	0.000	1	109.3520	0.601	8	109.1566	1.145	20	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	H(OC[6])	109.4210	0.000	1	109.3300	0.143	8	109.1566	1.145	20	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4570	0.000	1	109.3300	0.143	8	109.1566	1.145	20	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(OC[6])	109.2594	0.483	5	109.3300	0.143	8	109.1566	1.145	20	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	H(OC[6])	109.4650	0.000	1	109.3300	0.143	8	109.1566	1.145	20	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(OC[6])	105.1990	0.000	1	105.1990	0.000	1	109.1566	1.145	20	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	H(OC[6])	109.5600	0.000	1	109.4965	0.008	2	109.1566	1.145	20	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(OC[6])	109.4330	0.000	1	109.4965	0.008	2	109.1566	1.145	20	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(OC[6])	109.4850	0.000	1	109.4850	0.000	1	109.1566	1.145	20	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<2>,3|C<3>}	H(OC[6])	109.4770	0.008	2	109.4770	0.000	2	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H){5|C<3>}	H(OC[6])	109.4750	0.000	1	109.4750	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	H(OC[6])	109.4785	1.921	2	109.4785	3.691	2	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	H(OC[6])	105.8845	1.999	2	105.8845	3.996	2	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	H(OC[6])	109.4580	0.020	2	109.4580	0.000	2	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H){1|C<4>,3|C<3>}	H(OC[6])	109.4150	0.000	1	109.4150	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	H(OC[6])	109.4040	0.000	1	109.4040	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(OC[6])	108.1260	2.778	2	108.1260	7.715	2	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	H(OC[6])	109.4850	0.000	1	109.4850	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(OC[6])	109.4805	0.012	2	109.4805	0.000	2	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	H(OC[6])	108.3210	0.000	1	108.3210	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	H(OC[6])	109.5620	0.000	1	109.5620	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	H(OC[6])	110.3280	0.000	1	110.3280	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	H(OC[6])	109.4770	0.000	1	109.4770	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	H(OC[6])	109.4380	0.000	1	109.4380	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	H(OC[6])	109.4520	0.000	1	109.4520	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(OC[6])	105.8610	0.000	1	105.8610	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	H(OC[6])	105.6540	0.000	1	107.5890	7.488	2	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	H(OC[6])	109.5240	0.000	1	107.5890	7.488	2	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	H(OC[6])	109.4660	0.000	1	109.4660	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H){1|H<1>,4|C<3>}	H(OC[6])	109.5800	0.000	1	109.5800	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	H(OC[6])	109.4665	0.046	2	109.4665	0.002	2	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	H(OC[6])	109.4700	0.000	1	109.4700	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6])	106.8080	0.000	1	107.4529	27.081	8	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(OC[6])	104.9667	8.780	3	107.4529	27.081	8	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(OC[6])	109.5295	0.036	2	107.4529	27.081	8	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4280	0.017	2	107.4529	27.081	8	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6])	109.4980	0.000	1	109.4980	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(OC[6])	107.5267	1.278	3	109.4620	16.533	6	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(OC[6])	109.4710	0.000	1	109.4620	16.533	6	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	H(OC[6])	112.3605	7.167	2	109.4620	16.533	6	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	H(OC[6])	110.4980	0.000	1	110.4980	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(OC[6])	109.5215	0.032	2	109.1506	5.829	17	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(OC[6])	109.4580	0.033	2	109.1506	5.829	17	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(OC[6])	108.9770	0.000	1	109.1506	5.829	17	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(OC[6])	109.1820	0.000	1	109.1506	5.829	17	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	H(OC[6])	107.2270	3.184	3	109.1506	5.829	17	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|N<3>,2|C<3>,3|H<1>}	H(OC[6])	109.4520	0.000	1	109.1506	5.829	17	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	H(OC[6])	109.4495	0.026	2	109.1506	5.829	17	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>}	H(OC[6])	108.7600	0.000	1	109.1506	5.829	17	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	H(OC[6])	110.8405	7.418	2	109.1506	5.829	17	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	H(OC[6])	109.4850	0.016	2	109.1506	5.829	17	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(OC[6])	109.4380	0.000	1	113.1653	10.447	3	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(OC[6])	115.0290	0.232	2	113.1653	10.447	3	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(OC[6])	96.6616	0.000	1	109.0198	24.839	20	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(OC[6])	109.4920	0.000	1	109.0198	24.839	20	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(OC[6])	109.4870	0.000	1	109.0198	24.839	20	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(OC[6])	109.4760	0.000	1	109.0198	24.839	20	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	H(OC[6])	109.4600	0.000	1	109.0198	24.839	20	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|S<2>,3|C<3>}	H(OC[6])	109.4977	0.052	4	109.0198	24.839	20	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	H(OC[6])	106.6255	3.987	2	109.0198	24.839	20	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	H(OC[6])	109.5130	0.000	1	109.0198	24.839	20	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<3>}	H(OC[6])	109.4110	0.000	1	109.0198	24.839	20	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	H(OC[6])	110.8076	6.675	7	109.0198	24.839	20	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(OC[6])	109.4830	0.000	1	108.8359	2.084	9	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(OC[6])	108.7660	0.987	2	108.8359	2.084	9	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	H(OC[6])	107.3215	3.014	2	108.8359	2.084	9	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){2|H<1>,3|C<3>}	H(OC[6])	109.4663	0.035	4	108.8359	2.084	9	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	H(OC[6])	109.1706	3.623	5	108.7310	10.487	7	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	H(OC[6])	107.6320	2.652	2	108.7310	10.487	7	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(OC[6])	110.4830	0.000	1	107.9695	12.635	2	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(OC[6])	105.4560	0.000	1	107.9695	12.635	2	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6])	106.9735	3.576	2	106.8670	7.381	4	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	H(OC[6])	106.7605	3.051	2	106.8670	7.381	4	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	H(OC[6])	109.4290	0.078	2	109.4290	0.006	2	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|C<4>,2|H<1>,5|C<3>}	H(OC[6])	109.4730	0.000	1	109.0712	0.841	8	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(OC[6])	109.4415	0.045	2	109.0712	0.841	8	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	H(OC[6])	109.4580	0.000	1	109.0712	0.841	8	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	H(OC[6])	108.6890	1.254	4	109.0712	0.841	8	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	H(OC[6])	106.5140	0.000	1	106.5140	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	H(OC[6])	109.5005	0.015	2	109.5005	0.000	2	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	H(OC[6])	109.4710	0.000	1	109.4710	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	107.7810	2.809	2	107.7810	7.888	2	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	H(OC[6])	109.3642	0.429	9	109.2925	0.215	10	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|O<2>,3|C<3>}	H(OC[6])	108.6470	0.000	1	109.2925	0.215	10	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(OC[6])	109.0102	2.124	4	109.0102	4.513	4	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H){1|N<3>,4|C<3>}	H(OC[6])	107.4230	0.000	1	107.4230	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	H(OC[6])	106.8560	0.000	1	106.8560	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	H(OC[6])	109.4660	0.000	1	109.4660	0.000	1	108.9165	8.432	141	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]N[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]N[6]H)(OH)(H){1|O<2>,6|C<3>}	H(OC[6])	109.4690	0.000	1	109.4690	0.000	1	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	111.5637	6.370	3	111.5637	40.573	3	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(OH)(H){1|C<4>,2|C<3>}	H(OC[6])	109.5600	0.000	1	109.5600	0.000	1	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(OC[6])	110.9070	1.942	2	110.9070	3.770	2	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[6])	109.4790	0.000	1	109.4790	0.000	1	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4820	0.000	1	109.0814	0.725	12	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.0063	1.143	6	109.0814	0.725	12	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	109.4690	0.000	1	109.0814	0.725	12	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(OC[6])	108.9970	0.598	4	109.0814	0.725	12	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	109.1820	0.000	1	109.1820	0.000	1	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	107.0180	0.000	1	108.6722	1.332	6	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,3|C<4>}	H(OC[6])	109.4210	0.000	1	108.6722	1.332	6	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	108.8985	1.026	4	108.6722	1.332	6	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	108.2202	2.405	6	108.2202	5.782	6	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OH)(H){2|C<4>}	H(OC[6])	109.4770	0.000	1	109.4770	0.000	1	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	103.8133	7.953	2	103.8133	63.252	2	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.5255	0.009	2	109.5130	0.000	4	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	109.5005	0.016	2	109.5130	0.000	4	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	110.3590	0.000	1	110.3590	0.000	1	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(OH)(H){4|C<3>}	H(OC[6])	108.1390	0.000	1	108.1390	0.000	1	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(OC[6])	108.5060	0.000	1	108.5060	0.000	1	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	H(OC[6])	108.2480	0.000	1	108.2480	0.000	1	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	106.7280	0.000	1	106.7280	0.000	1	108.9258	6.529	45	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(OC[6])	109.5170	0.000	1	109.5170	0.000	1	109.4683	0.001	7	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(OC[6])	109.4630	0.000	1	109.4630	0.000	1	109.4683	0.001	7	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<1>,4|C<3>}	H(OC[6])	109.4525	0.021	4	109.4525	0.000	4	109.4683	0.001	7	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H)	H(OC[6])	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H){1|O<1>,3|C<4>}	H(OC[6])	109.4880	0.000	1	109.4880	0.000	1	109.4683	0.001	7	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	N[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]N[5a,6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]N[5a,6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){2|C<4>,4|C<3>}	H(OC[6])	109.4810	0.000	1	109.4750	0.001	4	109.4257	2.534	9	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	N[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]N[5a,6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]N[5a,6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){3|C<3>,3|C<4>}	H(OC[6])	109.4730	0.036	3	109.4750	0.001	4	109.4257	2.534	9	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	N[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]N[5a,6]C[6]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]N[5a,6]C[6]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	H(OC[6])	109.3143	3.179	3	109.3143	10.108	3	109.4257	2.534	9	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	N[5a,6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]N[5a,6]C[6]H)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]N[5a,6]C[6]H)(H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(OC[6])	109.4940	0.016	2	109.4940	0.000	2	109.4257	2.534	9	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	N[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|C<3>,3|C<4>}	H(OC[6])	113.3965	5.549	2	113.3965	30.788	2	110.9637	33.150	3	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:1:	2:	C[6]-4:H-1:	N[6]-3:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	H(OC[6])	106.0980	0.000	1	106.0980	0.000	1	110.9637	33.150	3	109.1854	8.585	332	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-2:O-2:	O-2:	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH)	H(OC[6])	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(OC[6])	109.4860	0.025	2	109.4860	0.001	2	109.4860	0.001	2	108.3780	31.094	12	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:O-2:	O-2:	O(C[6]C[6]2O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]FF)(OH)2	H(OC[6])	O(C[6]C[6]2O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]FF)(OH)2{1|O<1>,2|C<3>}	H(OC[6])	109.4795	0.009	2	109.4795	0.000	2	109.4795	0.000	2	108.3780	31.094	12	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6]C[6]2O[6])(H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6,6])(OH)	H(OC[6])	O(C[6]C[6]2O[6])(H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6,6])(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(OC[6])	109.4600	0.010	2	109.4600	0.000	2	109.4600	0.000	2	108.3780	31.094	12	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]O[6])(OH)	H(OC[6])	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]O[6])(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.2840	0.000	1	109.2840	0.000	1	107.2808	65.517	6	108.3780	31.094	12	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH)	H(OC[6])	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH){3|C<3>,3|H<1>}	H(OC[6])	110.2510	0.000	1	110.2510	0.000	1	107.2808	65.517	6	108.3780	31.094	12	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	H(OC[6])	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){1|C<4>,2|C<3>,6|H<1>}	H(OC[6])	110.0380	0.000	1	109.7255	0.195	2	107.2808	65.517	6	108.3780	31.094	12	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	H(OC[6])	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){2|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4130	0.000	1	109.7255	0.195	2	107.2808	65.517	6	108.3780	31.094	12	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:2:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH)	H(OC[6])	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH){2|C<3>,3|H<1>,4|C<4>}	H(OC[6])	102.3494	15.936	2	102.3494	253.963	2	107.2808	65.517	6	108.3780	31.094	12	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	C[5a,6]-3:P[6]-4:C[6a]-3:O-2:	O-2:	O(C[6]C[5a,6]C[6a]P[6])(H)	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(OH)	H(OC[6])	O(C[6]C[5a,6]C[6a]P[6])(H)	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(OH){1|S<2>,2|H<1>,7|C<3>}	H(OC[6])	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6])	109.4735	0.025	2	109.4735	0.001	2	109.4557	0.015	10	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH){3|C<3>,3|H<1>}	H(OC[6])	109.5490	0.000	1	109.5490	0.000	1	109.4557	0.015	10	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH){1|H<1>,4|C<3>}	H(OC[6])	109.4982	0.013	4	109.4982	0.000	4	109.4557	0.015	10	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH){2|H<1>,3|C<3>}	H(OC[6])	109.1190	0.000	1	109.1190	0.000	1	109.4557	0.015	10	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(OC[6])	109.4930	0.000	1	109.4930	0.000	1	109.4557	0.015	10	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH){1|H<1>,1|N<3>,5|C<3>}	H(OC[6])	109.4560	0.000	1	109.4560	0.000	1	109.4557	0.015	10	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[5a]-3:O-2:	O-2:	O(C[6]C[6,6a]C[5a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH)	H(OC[6])	O(C[6]C[6,6a]C[5a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	H(OC[6])	109.4433	0.039	4	109.4433	0.002	4	109.4433	0.002	4	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCH)(OH){2|C<3>,2|H<1>}	H(OC[6])	111.6780	4.650	2	111.6780	21.622	2	111.6780	21.622	2	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4720	0.000	1	109.4467	0.002	3	109.7361	0.367	11	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH){2|C<4>,2|H<1>,4|C<3>}	H(OC[6])	109.4340	0.051	2	109.4467	0.002	3	109.7361	0.367	11	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	H(OC[6])	110.9595	0.042	2	110.9595	0.002	2	109.7361	0.367	11	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4730	0.016	6	109.4730	0.000	6	109.7361	0.367	11	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:O-2:	O-2:	O(C[6]C[6a]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(OH)	H(OC[6])	O(C[6]C[6a]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(OH){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	H(OC[6])	113.3350	0.000	1	113.3350	0.000	1	113.3350	0.000	1	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	N[5a,6]-3:C[6]-4:C-3:O-2:	O-2:	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(COO)(OH)	H(OC[6])	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(COO)(OH){3|C<3>,3|C<4>}	H(OC[6])	112.2180	0.000	1	112.2180	0.000	1	112.2180	0.000	1	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:3:2:	2:	C[6]-4:H-1:	N[6]-3:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]N[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH)	H(OC[6])	O(C[6]C[6]N[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH){1|O<1>,2|C<3>,3|C<4>}	H(OC[6])	109.4000	0.000	1	109.4000	0.000	1	109.4000	0.000	1	109.9005	1.760	31	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){1|C<3>,3|C<4>,3|H<1>}	H(OC[6])	105.9140	0.000	1	109.9203	18.009	3	109.9203	18.009	3	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	114.3670	0.000	1	109.9203	18.009	3	109.9203	18.009	3	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){3|H<1>,4|C<4>}	H(OC[6])	109.4800	0.000	1	109.9203	18.009	3	109.9203	18.009	3	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[5]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,5]C[5])(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(OC[6])	109.4410	0.000	1	109.4410	0.000	1	109.4832	0.001	5	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[5]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]HH)2(OH){1|Pd<4>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4938	0.024	4	109.4938	0.001	4	109.4832	0.001	5	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C-4:O-2:	O-2:	O(C[6]C[5a,6]C[6,6]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	H(OC[6])	O(C[6]C[5a,6]C[6,6]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(OC[6])	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5a,6]C[6]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH)	H(OC[6])	O(C[6]C[5a,6]C[6]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH){1|C<4>,2|H<1>,3|C<3>}	H(OC[6])	106.3520	0.000	1	106.3520	0.000	1	106.9070	0.616	2	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5a,6]C[6]C)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH)	H(OC[6])	O(C[6]C[5a,6]C[6]C)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH){1|C<4>,2|C<3>,2|F<1>}	H(OC[6])	107.4620	0.000	1	107.4620	0.000	1	106.9070	0.616	2	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH)	H(OC[6])	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(OC[6])	111.0575	2.272	2	111.0575	5.162	2	109.4124	2.157	13	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	H(OC[6])	109.4830	0.027	6	109.4830	0.001	6	109.4124	2.157	13	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6])	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(OC[6])	109.4545	0.006	2	109.4545	0.000	2	109.4124	2.157	13	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(OH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(OC[6])	109.4665	0.037	2	109.4665	0.001	2	109.4124	2.157	13	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(OC[6])	105.5060	0.000	1	105.5060	0.000	1	109.4124	2.157	13	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6,6a]C[5]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[5]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(OC[6])	109.4503	0.014	3	109.4503	0.000	3	109.4503	0.000	3	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>,4|C<3>}	H(OC[6])	109.0210	0.000	3	109.0210	0.000	3	108.1163	3.274	4	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH){2|C<4>,3|C<3>,6|H<1>}	H(OC[6])	105.4020	0.000	1	105.4020	0.000	1	108.1163	3.274	4	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH){1|H<1>,4|C<3>}	H(OC[6])	106.9940	0.000	1	106.9940	0.000	1	107.9500	16.724	15	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(OC[6])	109.5200	0.000	1	109.5200	0.000	1	107.9500	16.724	15	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH){1|H<1>,4|C<3>}	H(OC[6])	109.4840	0.000	1	109.4840	0.000	1	107.9500	16.724	15	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH){3|C<3>,3|H<1>}	H(OC[6])	104.9920	0.000	1	104.9920	0.000	1	107.9500	16.724	15	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH){1|O<2>,2|C<3>,3|H<1>}	H(OC[6])	109.4990	0.184	2	109.4990	0.034	2	107.9500	16.724	15	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH){1|N<3>,2|H<1>,3|C<3>}	H(OC[6])	94.1735	0.000	1	94.1735	0.000	1	107.9500	16.724	15	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[6])	109.4710	0.000	1	109.4710	0.000	1	107.9500	16.724	15	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH){1|O<2>,2|C<3>,3|H<1>}	H(OC[6])	107.1150	0.000	1	107.1150	0.000	1	107.9500	16.724	15	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(OC[6])	111.2070	0.000	1	111.2070	0.000	1	107.9500	16.724	15	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,3|C<3>}	H(OC[6])	109.4580	0.000	1	109.4580	0.000	1	107.9500	16.724	15	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[6])	109.5670	0.000	1	109.5670	0.000	1	107.9500	16.724	15	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH){2|C<4>,2|H<1>,3|C<3>}	H(OC[6])	109.4780	0.000	1	109.4780	0.000	1	107.9500	16.724	15	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(OC[6])	109.3270	0.000	1	109.3270	0.000	1	107.9500	16.724	15	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(OC[6])	109.4650	0.000	1	109.4650	0.000	1	107.9500	16.724	15	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6,6a]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|F<1>,2|C<4>,4|C<3>,4|H<1>}	H(OC[6])	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[5]HH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4420	0.057	2	109.4420	0.003	2	109.0002	1.098	20	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	H(OC[6])	109.4870	0.000	2	109.4870	0.000	2	109.0002	1.098	20	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.3940	0.000	1	109.3940	0.000	1	109.0002	1.098	20	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	107.7175	2.549	2	107.7175	6.498	2	109.0002	1.098	20	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4870	0.000	1	109.4870	0.000	1	109.0002	1.098	20	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	H(OC[6])	109.4485	0.018	2	109.4485	0.000	2	109.0002	1.098	20	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCHH)(OH){2|C<3>,2|H<1>}	H(OC[6])	109.4660	0.000	1	109.4660	0.000	1	109.0002	1.098	20	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CH3)(OH){2|C<3>,2|H<1>}	H(OC[6])	109.4557	0.006	3	109.4557	0.000	3	109.0002	1.098	20	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(OH){2|C<3>,2|H<1>}	H(OC[6])	107.1970	0.000	1	107.1970	0.000	1	109.0002	1.098	20	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]CH)(OH){2|C<3>,2|H<1>}	H(OC[6])	109.5110	0.000	1	109.5110	0.000	1	109.0002	1.098	20	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<3>,2|H<1>}	H(OC[6])	109.4520	0.000	1	109.4520	0.000	1	109.0002	1.098	20	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(OH){2|C<3>}	H(OC[6])	109.5200	0.000	1	109.5200	0.000	1	109.0002	1.098	20	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CF)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CF)(CH3)(OH){1|H<1>,4|C<3>}	H(OC[6])	108.4990	0.000	1	108.4990	0.000	1	109.0002	1.098	20	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HO)(CH3)(OH){1|H<1>,3|C<3>}	H(OC[6])	106.9200	0.000	1	106.9200	0.000	1	109.0002	1.098	20	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6]3)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6]3)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)2(OH){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(OC[6])	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,5|H<1>}	H(OC[6])	112.1130	0.000	1	112.1130	0.000	1	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(OC[6])	107.9115	0.952	2	108.8686	3.251	18	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(OC[6])	109.5150	0.000	1	108.8686	3.251	18	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	H(OC[6])	109.1853	1.023	6	108.8686	3.251	18	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|C<3>,5|H<1>}	H(OC[6])	109.4880	0.000	1	108.8686	3.251	18	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,4|C<3>,4|H<1>}	H(OC[6])	108.6067	2.741	7	108.8686	3.251	18	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(OC[6])	109.4490	0.000	1	108.8686	3.251	18	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH){4|C<3>,4|H<1>}	H(OC[6])	109.4700	0.000	1	109.4700	0.000	1	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(OC[6])	113.0040	0.000	2	111.7620	4.628	3	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(OC[6])	109.2780	0.000	1	111.7620	4.628	3	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FF)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FF)2(OH){1|C<4>,2|C<3>,6|F<1>}	H(OC[6])	106.3155	3.368	2	106.3155	11.343	2	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	H(OC[6])	112.0145	5.380	2	112.0145	28.948	2	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(OH){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	H(OC[6])	111.7020	0.000	1	111.7020	0.000	1	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,2|C<3>,6|H<1>}	H(OC[6])	109.4770	0.017	3	107.4905	15.785	4	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,4|C<3>,4|H<1>}	H(OC[6])	101.5310	0.000	1	107.4905	15.785	4	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,2|C<3>,6|H<1>}	H(OC[6])	107.1580	3.905	2	107.9240	9.383	3	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,5|H<1>}	H(OC[6])	109.4560	0.000	1	107.9240	9.383	3	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4670	0.000	1	108.8700	0.539	3	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){2|C<3>,2|H<1>,5|C<4>}	H(OC[6])	108.5715	0.738	2	108.8700	0.539	3	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(OC[6])	109.4610	0.011	2	109.4610	0.000	2	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(OC[6])	109.4370	0.000	1	108.8214	14.272	42	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,6|H<1>}	H(OC[6])	102.7070	0.000	1	108.8214	14.272	42	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,3|C<3>,5|H<1>}	H(OC[6])	98.8436	1.826	2	108.8214	14.272	42	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4600	0.043	3	108.8214	14.272	42	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,2|C<3>,6|H<1>}	H(OC[6])	109.8450	0.793	4	108.8214	14.272	42	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,3|H<1>,4|C<3>}	H(OC[6])	109.4320	0.000	1	108.8214	14.272	42	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<4>,2|C<3>,6|H<1>}	H(OC[6])	109.8313	2.758	28	108.8214	14.272	42	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|O<2>,4|C<3>,4|H<1>}	H(OC[6])	109.5170	0.000	1	108.8214	14.272	42	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,5|H<1>}	H(OC[6])	98.6815	0.000	1	108.8214	14.272	42	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|H<1>,4|C<3>}	H(OC[6])	106.7078	3.209	4	106.7078	10.295	4	108.8542	10.525	86	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	N[5,6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]N[5,6]C[6]C)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]N[5,6]C[6]C)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|N<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4610	0.021	2	109.4610	0.000	2	109.4610	0.000	2	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	N[5a,6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH)	H(OC[6])	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(OC[6])	111.1950	0.000	1	111.1950	0.000	1	109.6230	0.681	6	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	N[5a,6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH)	H(OC[6])	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(OC[6])	109.4500	0.000	1	109.4500	0.000	1	109.6230	0.681	6	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	N[5a,6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH)	H(OC[6])	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH){1|N<2>,4|C<3>}	H(OC[6])	109.4580	0.042	3	109.4580	0.002	3	109.6230	0.681	6	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	N[5a,6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]N[5a,6]C[6]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH){1|N<2>,2|C<3>,3|C<4>}	H(OC[6])	108.7190	0.000	1	108.7190	0.000	1	109.6230	0.681	6	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(OC[6])	119.0770	0.000	1	113.9680	20.326	3	113.9680	20.326	3	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(OC[6])	110.5480	0.000	1	113.9680	20.326	3	113.9680	20.326	3	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	N[6,6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(OC[6])	112.2790	0.000	1	113.9680	20.326	3	113.9680	20.326	3	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	3:4:4:2:	2:	C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]N[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH)	H(OC[6])	O(C[6]C[6]N[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[6])	109.3410	0.000	1	109.3410	0.000	1	109.3410	0.000	1	108.9829	8.365	166	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[3,6,6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[3,6,6]O[6]H)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[3,6,6]O[6]H)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(OC[6])	109.4900	0.000	1	109.4900	0.000	1	109.4900	0.000	1	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[3x6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[3x6]O[6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[3x6]O[6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(OC[6])	109.4820	0.000	1	109.4515	0.002	2	109.4515	0.002	2	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[3x6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[3x6]O[6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[3x6]O[6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H){5|C<4>,6|H<1>}	H(OC[6])	109.4210	0.000	1	109.4515	0.002	2	109.4515	0.002	2	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[5,6]O[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[5,6]O[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	108.1315	1.231	2	108.1315	1.516	2	107.9850	1.624	4	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[5,6]O[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H)	H(OC[6])	O(C[6]C[5,6]O[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(OC[6])	107.8385	1.808	2	107.8385	3.269	2	107.9850	1.624	4	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])(OH)(H)	H(OC[6])	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	109.5120	0.000	1	109.5120	0.000	1	108.5102	5.667	6	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(OC[6])	103.6510	0.000	1	103.6510	0.000	1	108.5102	5.667	6	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H){1|O<2>,2|H<1>,4|C<3>}	H(OC[6])	109.4790	0.018	2	109.4745	0.000	4	108.5102	5.667	6	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6]O[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H){2|C<3>,5|C<4>}	H(OC[6])	109.4700	0.007	2	109.4745	0.000	4	108.5102	5.667	6	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	106.4710	0.000	1	107.7450	3.246	2	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.0190	0.000	1	107.7450	3.246	2	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.5200	0.000	1	109.5200	0.000	1	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(OC[6])	109.4840	0.000	1	109.4840	0.000	1	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4960	0.000	1	109.4960	0.000	1	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	109.4540	0.000	1	109.4540	0.000	1	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(OC[6])	108.2570	1.673	2	108.6567	1.879	3	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H){1|H<1>,2|C<4>,2|S<2>}	H(OC[6])	109.4560	0.000	1	108.6567	1.879	3	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	109.4500	0.000	1	109.4500	0.000	1	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H){2|H<1>,4|C<3>}	H(OC[6])	108.6697	1.403	3	108.6697	1.968	3	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H){1|O<1>,2|C<3>}	H(OC[6])	109.4920	0.000	1	109.4920	0.000	1	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	114.5495	7.417	2	112.8690	35.977	3	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.5080	0.000	1	112.8690	35.977	3	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(OC[6])	109.4420	0.000	1	109.4640	0.002	3	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|H<1>,3|C<3>}	H(OC[6])	109.4750	0.048	2	109.4640	0.002	3	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H){1|H<1>,3|C<3>}	H(OC[6])	111.7480	0.000	1	111.7480	0.000	1	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	110.0300	0.000	1	110.0300	0.000	1	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]FF)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]FF)(O[6]C[6])(OH)(H){1|H<1>,2|C<4>,2|F<1>}	H(OC[6])	107.7930	0.334	2	107.7930	0.111	2	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	H(OC[6])	106.4235	0.110	2	106.4235	0.012	2	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	H(OC[6])	108.9720	0.997	4	108.9720	0.994	4	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(O[6]C[3x6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(O[6]C[3x6])(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	109.4790	0.000	2	109.4790	0.000	2	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	109.4760	0.000	1	109.4760	0.000	1	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4800	0.000	1	109.4800	0.000	1	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.2900	3.580	4	109.2900	12.818	4	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4800	0.000	1	109.4800	0.000	1	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	H(OC[6])	109.5240	2.864	2	108.9459	3.738	45	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|H<1>,2|C<4>,2|F<1>}	H(OC[6])	107.7900	1.143	2	108.9459	3.738	45	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|O<1>,2|C<4>,2|H<1>}	H(OC[6])	102.9930	0.000	1	108.9459	3.738	45	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.1150	1.738	39	108.9459	3.738	45	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	109.4570	0.000	1	108.9459	3.738	45	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	H(OC[6])	109.4700	0.000	1	109.4700	0.000	1	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(OH)(H){1|C<4>,4|C<3>}	H(OC[6])	109.4165	0.046	2	109.4165	0.002	2	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:2:1:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:O-2:H-1:	O-2:	O(C[6]C[6]O[6]H)(H)	C[6](C[6]N[6]HH)(O[6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6]O[6]H)(H)	C[6](C[6]N[6]HH)(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(OC[6])	109.4690	0.000	1	109.4690	0.000	1	109.1177	4.203	88	109.0470	4.061	101	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:3:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH){1|H<1>,4|C<4>}	H(OC[6])	105.5520	0.990	2	105.5520	0.980	2	108.2651	3.462	9	108.2651	3.462	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:3:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(COO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(COO)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.4550	0.000	1	109.4550	0.000	1	108.2651	3.462	9	108.2651	3.462	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:3:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(COO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(COO)(OH){1|H<1>,3|C<3>}	H(OC[6])	109.5080	0.000	1	109.5080	0.000	1	108.2651	3.462	9	108.2651	3.462	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:3:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.4140	0.000	1	108.7120	2.261	4	108.2651	3.462	9	108.2651	3.462	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:3:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[6])	106.4580	0.000	1	108.7120	2.261	4	108.2651	3.462	9	108.2651	3.462	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:3:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|H<1>,3|C<3>}	H(OC[6])	109.4880	0.066	2	108.7120	2.261	4	108.2651	3.462	9	108.2651	3.462	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:3:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OH){1|H<1>,3|C<3>}	H(OC[6])	109.4710	0.000	1	109.4710	0.000	1	108.2651	3.462	9	108.2651	3.462	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[3,6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[3,6]O[6]C)(H)	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6])(CH3)(OH)	H(OC[6])	O(C[6]C[3,6]O[6]C)(H)	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6])(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	108.8810	0.000	1	108.8810	0.000	1	111.8067	7.329	3	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[3,6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[3,6]O[6]C)(H)	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH)	H(OC[6])	O(C[6]C[3,6]O[6]C)(H)	C[6](C[3,6]N[3,6]C[3]H)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	113.2695	1.348	2	113.2695	1.818	2	111.8067	7.329	3	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[5,6]O[6]C)(H)	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH)	H(OC[6])	O(C[6]C[5,6]O[6]C)(H)	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(CF3)(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(OC[6])	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:N[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH)	H(OC[6])	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH){1|H<1>,3|C<3>}	H(OC[6])	112.9440	0.000	1	112.9440	0.000	1	110.1530	2.435	5	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:N[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH)	H(OC[6])	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH){1|C<3>,1|S<2>,2|H<1>}	H(OC[6])	109.4470	0.000	1	109.4470	0.000	1	110.1530	2.435	5	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:N[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	H(OC[6])	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH){1|H<1>,1|S<2>,2|C<3>}	H(OC[6])	109.4360	0.000	1	109.4580	0.000	3	110.1530	2.435	5	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:N[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	H(OC[6])	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH){1|Se<2>,1|H<1>,2|C<3>}	H(OC[6])	109.4690	0.016	2	109.4580	0.000	3	110.1530	2.435	5	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[3x6]HH)(O[6]C[6])(CH3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[3x6]HH)(O[6]C[6])(CH3)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.4710	0.000	1	109.4710	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.4520	0.000	1	109.4520	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CF3)(OH){1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	109.4470	0.000	1	109.4470	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CH3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	109.4660	0.000	1	109.4660	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.4420	0.000	1	109.4420	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	H(OC[6])	109.4730	0.000	1	109.4730	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)(OH){1|O<1>,2|C<3>}	H(OC[6])	109.4260	0.000	1	109.4260	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[6])	108.7320	0.000	1	108.7320	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	107.5400	0.000	2	108.1690	1.187	3	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(OH){2|H<1>,3|C<4>}	H(OC[6])	109.4270	0.000	1	108.1690	1.187	3	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCHO)(OH){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	106.6855	1.638	2	106.6855	2.684	2	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CF3)(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[6])	109.4450	0.000	1	109.4450	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.4470	0.000	1	109.4470	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CHHO)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.4975	0.056	2	109.4975	0.003	2	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(OH){1|C<3>,1|N<3>,2|C<4>}	H(OC[6])	108.0620	0.000	1	108.0620	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4460	0.000	1	109.4460	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]CO)(OH){1|O<1>,3|C<4>}	H(OC[6])	109.4430	0.000	1	109.4430	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	112.1673	5.169	3	110.8534	7.871	11	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|H<1>,3|C<3>}	H(OC[6])	109.4860	0.021	2	110.8534	7.871	11	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){1|O<2>,4|C<4>}	H(OC[6])	111.2223	2.018	4	110.8534	7.871	11	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.5120	0.021	2	110.8534	7.871	11	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.3860	0.000	1	109.3860	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	106.3360	1.442	2	106.3360	2.081	2	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.8900	2.843	4	109.8900	8.081	4	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHN)(OH){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.2825	3.798	4	109.2825	14.422	4	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	108.7736	1.352	7	108.2706	3.591	8	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHHO)(OH){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	104.7500	0.000	1	108.2706	3.591	8	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CN[6]HH)(OH){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	105.1640	0.000	1	105.1640	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]C[6]HP)(O[6]C[6])(CH3)(OH){1|C<3>,2|C<4>,2|H<1>}	H(OC[6])	100.2410	0.000	1	100.2410	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:2:4:2:	2:	C[6]-4:H-1:	C[6]-4:O[6]-2:C-4:O-2:	O-2:	O(C[6]C[6]O[6]C)(H)	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(OH)	H(OC[6])	O(C[6]C[6]O[6]C)(H)	C[6](C[6]N[5,6]HH)(O[6]C[6,6])(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[6])	113.5340	0.000	1	113.5340	0.000	1	109.0729	7.049	53	109.2997	6.823	62	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3,6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[3,6,6]C[6]H)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[3,6,6]C[6]H)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(OC[6])	115.0980	0.000	1	115.0980	0.000	1	115.0980	0.000	1	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6,6]-3:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.9680	7.222	2	109.9680	52.163	2	109.9680	52.163	2	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[3,6]H)(H)	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[3,6]H)(H)	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<3>,5|C<3>}	H(OC[6])	109.4870	0.032	3	109.4870	0.001	3	109.4870	0.001	3	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[5,6]H)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[5,6]H)(OH)(H){1|C<3>,2|C<4>}	H(OC[6])	99.3294	0.000	1	99.3294	0.000	1	109.4958	23.223	7	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(OH)(H){1|C<4>,3|H<1>}	H(OC[6])	114.9410	0.000	1	114.9410	0.000	1	109.4958	23.223	7	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]O)(OH)(H){1|C<3>,2|H<1>}	H(OC[6])	109.5120	0.000	1	109.5120	0.000	1	109.4958	23.223	7	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(OH)(H){1|C<4>,2|H<1>}	H(OC[6])	110.1100	0.000	1	110.1100	0.000	1	109.4958	23.223	7	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Cl)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Cl)(OH)(H){1|C<4>,2|H<1>}	H(OC[6])	110.5850	0.000	1	110.5850	0.000	1	109.4958	23.223	7	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	H(OC[6])	111.3580	0.000	1	110.9965	0.261	2	109.4958	23.223	7	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	H(OC[6])	110.6350	0.000	1	110.9965	0.261	2	109.4958	23.223	7	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[3x6]H)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[3x6]H)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,3|H<1>,4|C<4>}	H(OC[6])	109.4760	0.000	1	109.4760	0.000	1	110.2723	3.931	6	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[3x6]H)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[3x6]H)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(OC[6])	109.4597	0.029	4	110.4316	4.723	5	110.2723	3.931	6	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[3x6]H)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[3x6]H)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(OC[6])	114.3190	0.000	1	110.4316	4.723	5	110.2723	3.931	6	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3x6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	H(OC[6])	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){1|C<3>,6|C<4>}	H(OC[6])	109.4270	0.000	1	109.4270	0.000	1	108.9770	0.678	3	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3x6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OH)(H)	H(OC[6])	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OH)(H){2|C<3>,6|C<4>}	H(OC[6])	108.0270	0.000	1	108.0270	0.000	1	108.9770	0.678	3	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[3x6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	109.4770	0.000	1	109.4770	0.000	1	108.9770	0.678	3	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[4x6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[4x6]H)(H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[4x6]H)(H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(OC[6])	105.5800	0.000	1	105.5800	0.000	1	105.5800	0.000	1	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H){2|H<1>,2|O<2>,6|C<4>}	H(OC[6])	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,5,6]C[6]H)(H)	C[6](C[5,5,6]C[3x5,6]C[5,6a]C[5])(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,5,6]C[6]H)(H)	C[6](C[5,5,6]C[3x5,6]C[5,6a]C[5])(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(OC[6])	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,5,6]-4:N[5,6]-3:O-2:H-1:	O-2:	O(C[6]C[5,5,6]N[5,6]H)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H)	H(OC[6])	O(C[6]C[5,5,6]N[5,6]H)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	H(OC[6])	104.8080	0.704	2	104.8080	0.496	2	104.8080	0.496	2	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	H(OC[6])	107.2590	0.000	1	107.2590	0.000	1	108.7493	9.992	17	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	H(OC[6])	109.5180	0.000	1	109.5180	0.000	1	108.7493	9.992	17	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]N[5,6,6]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]N[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	113.2705	5.351	2	113.2705	28.630	2	108.7493	9.992	17	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	H(OC[6])	109.4715	0.023	2	109.4715	0.001	2	108.7493	9.992	17	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(OC[6])	108.2390	0.000	1	108.2390	0.000	1	108.7493	9.992	17	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(OC[6])	106.8320	5.424	2	107.4810	8.389	9	108.7493	9.992	17	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	H(OC[6])	108.3595	3.460	2	107.4810	8.389	9	108.7493	9.992	17	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[6])	106.8912	2.472	4	107.4810	8.389	9	108.7493	9.992	17	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(OC[6])	109.3810	0.000	1	107.4810	8.389	9	108.7493	9.992	17	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	H(OC[6])	110.9090	0.000	1	110.9090	0.000	1	108.7493	9.992	17	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(OC[6])	109.4395	0.035	2	109.4497	0.001	3	109.4605	0.001	4	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){2|C<3>,2|O<2>,5|C<4>}	H(OC[6])	109.4700	0.000	1	109.4497	0.001	3	109.4605	0.001	4	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H){3|H<1>,5|C<4>}	H(OC[6])	109.4930	0.000	1	109.4930	0.000	1	109.4605	0.001	4	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.4940	0.000	1	109.4940	0.000	1	109.8466	0.860	10	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H){1|H<1>,2|O<2>,5|C<4>}	H(OC[6])	111.3275	1.497	2	111.3275	2.241	2	109.8466	0.860	10	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(OC[6])	109.3970	0.000	1	109.3970	0.000	1	109.8466	0.860	10	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	H(OC[6])	109.4867	0.042	6	109.4867	0.002	6	109.8466	0.860	10	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(OC[6])	109.4533	0.022	3	109.4690	0.001	5	108.2678	11.233	16	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|N<3>,3|C<3>,4|H<1>}	H(OC[6])	109.4925	0.026	2	109.4690	0.001	5	108.2678	11.233	16	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	107.0510	0.000	1	107.0510	0.000	1	108.2678	11.233	16	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(OC[6])	109.5380	0.000	1	109.5380	0.000	1	108.2678	11.233	16	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,2|N<3>,6|C<3>}	H(OC[6])	109.4210	0.000	1	109.4210	0.000	1	108.2678	11.233	16	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|O<2>,3|C<4>,4|C<3>,4|H<1>}	H(OC[6])	96.4233	0.000	1	96.4233	0.000	1	108.2678	11.233	16	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,8|C<3>}	H(OC[6])	109.4650	0.000	1	108.4985	3.919	4	108.2678	11.233	16	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<2>,3|H<1>,6|C<3>}	H(OC[6])	108.1763	2.293	3	108.4985	3.919	4	108.2678	11.233	16	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(OC[6])	109.5005	0.008	2	109.5005	0.000	2	108.2678	11.233	16	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,5|C<3>}	H(OC[6])	109.5120	0.000	1	109.5120	0.000	1	108.2678	11.233	16	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[3,5,6]O[5]H)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[3,5,6]O[5]H)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	H(OC[6])	109.4830	0.000	1	109.4830	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(OC[6])	110.1386	5.786	14	110.1386	33.478	14	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	110.8680	1.123	2	110.8680	1.261	2	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(OC[6])	106.5140	0.000	1	106.5140	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[6])	106.1040	0.000	1	106.1040	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	H(OC[6])	109.4440	0.000	1	109.4440	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(OC[6])	114.7850	0.000	1	114.7850	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	H(OC[6])	109.5010	0.000	1	109.5010	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.9980	0.000	1	109.9980	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[6])	106.9140	0.000	1	106.9140	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.4590	0.000	1	109.4590	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H){1|N<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4290	0.000	1	109.4290	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	H(OC[6])	109.3860	0.000	1	109.3860	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(OH)(H){2|H<1>,4|C<4>}	H(OC[6])	109.6240	0.000	1	109.6240	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(OC[6])	110.1810	1.722	6	110.1810	2.964	6	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	107.1940	0.000	1	107.1940	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	109.4500	0.000	1	109.4500	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	109.4630	0.010	4	109.4630	0.000	4	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	112.3710	0.000	1	112.3710	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	109.4780	0.000	1	109.4780	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]O)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]O)(OH)(H){1|B<3>,1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.9060	0.000	1	109.9060	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,6|H<1>}	H(OC[6])	109.4711	0.944	7	108.5538	7.497	8	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(OC[6])	102.1320	0.000	1	108.5538	7.497	8	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(OH)(H){1|C<4>,2|H<1>,4|C<3>}	H(OC[6])	109.4330	0.000	1	109.4330	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(OH)(H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(OC[6])	110.9210	2.062	2	110.9210	4.252	2	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(OC[6])	110.0570	0.000	1	110.0570	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OH)(H){3|C<4>,3|H<1>}	H(OC[6])	109.5240	0.000	1	109.5240	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.3800	0.000	1	109.4080	0.002	2	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4360	0.000	1	109.4080	0.002	2	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H){2|H<1>,3|C<4>}	H(OC[6])	109.5410	0.000	1	109.5410	0.000	1	109.6491	10.338	59	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(OC[6])	109.4890	0.000	1	109.4710	0.001	2	109.4710	0.001	2	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(OC[6])	109.4530	0.000	1	109.4710	0.001	2	109.4710	0.001	2	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<1>,3|C<3>,4|C<4>}	H(OC[6])	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	O-2:	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	H(OC[6])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	H(OC[6])	107.1790	0.000	1	107.1790	0.000	1	107.1790	0.000	1	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,3x6]C[3,6]O)(C[6]O[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,3x6]C[3,6]O)(C[6]O[6]O)(OH)(H){1|O<2>,5|C<4>}	H(OC[6])	109.4980	0.000	1	109.4980	0.000	1	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]O[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]O[6]O)(OH)(H){1|C<3>,4|C<4>}	H(OC[6])	109.4590	0.000	1	109.4590	0.000	1	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4680	0.000	1	109.4680	0.000	1	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[6])	109.4980	0.000	1	109.4980	0.000	1	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(OC[6])	109.4920	0.000	1	109.4920	0.000	1	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.5290	0.000	1	109.5290	0.000	1	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){2|H<1>,5|C<4>}	H(OC[6])	109.2964	5.027	5	109.2964	25.268	5	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]O[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]O[6]O)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	106.4600	0.000	1	106.4600	0.000	1	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(OC[6])	108.5070	0.000	1	108.5070	0.000	1	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.4687	0.024	3	109.4687	0.001	3	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[6])	109.5050	0.000	1	109.4880	0.001	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	109.4710	0.000	1	109.4880	0.001	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]O)(OH)(H){8|C<4>}	H(OC[6])	109.4830	0.000	1	109.4830	0.000	1	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(OH)(H){1|H<1>,7|C<4>}	H(OC[6])	109.5165	0.029	2	109.5165	0.001	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H){7|C<4>}	H(OC[6])	111.4220	2.362	2	111.4220	5.578	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H){1|C<3>,6|C<4>}	H(OC[6])	109.4890	0.000	1	109.4810	0.000	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H){1|C<3>,7|C<4>}	H(OC[6])	109.4730	0.000	1	109.4810	0.000	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(OC[6])	109.3900	0.023	2	109.3900	0.001	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(OC[6])	109.7630	0.000	1	109.7630	0.000	1	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OH)(H){3|H<1>,4|C<4>}	H(OC[6])	108.8965	5.554	2	108.8965	30.851	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(OH)(H){7|C<4>}	H(OC[6])	113.7760	0.000	1	113.7760	0.000	1	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[6])	109.4310	0.000	1	107.9062	4.706	5	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(OC[6])	105.5320	0.151	2	107.9062	4.706	5	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(OC[6])	109.5180	0.083	2	107.9062	4.706	5	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(OC[6])	109.4980	0.017	2	109.4980	0.000	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(OC[6])	105.3345	5.788	2	105.3345	33.497	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4940	0.000	1	109.4940	0.000	1	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(OC[6])	109.4790	0.000	1	108.3900	2.372	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(OC[6])	107.3010	0.000	1	108.3900	2.372	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.4880	0.000	1	109.4880	0.000	1	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	109.2820	0.000	1	109.2820	0.000	1	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	H(OC[6])	105.9770	4.909	2	105.9770	24.096	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(OC[6])	109.4880	0.000	1	109.4735	0.000	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(OC[6])	109.4590	0.000	1	109.4735	0.000	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(OC[6])	107.6540	0.547	2	107.6540	0.300	2	108.9541	6.398	51	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:O-2:H-1:	O-2:	O(C[6]C[6,6]N[6,6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H)	H(OC[6])	O(C[6]C[6,6]N[6,6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H){2|C<3>,4|C<4>,4|H<1>}	H(OC[6])	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	H(OC[6])	109.3830	0.000	1	109.3830	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.4520	0.000	1	109.4520	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	98.7558	0.000	1	98.7558	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(OC[6])	109.5140	0.000	1	109.5140	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	108.3365	1.842	2	108.3365	3.393	2	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]BrH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]BrH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(OC[6])	108.6880	0.000	1	108.6880	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<4>,2|H<1>}	H(OC[6])	109.0835	0.158	2	109.0835	0.025	2	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.4660	0.000	1	109.4660	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.4900	0.000	1	109.4900	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]FF)(C[6]C[6]Br)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]FF)(C[6]C[6]Br)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4465	0.005	2	109.4465	0.000	2	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4670	0.000	1	109.4670	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4660	0.000	1	109.4660	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(OC[6])	109.4940	0.000	1	109.4940	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(OC[6])	108.3857	1.026	3	107.1761	17.100	6	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	104.1849	7.454	2	107.1761	17.100	6	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	109.5300	0.000	1	107.1761	17.100	6	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	107.6470	6.040	2	107.8953	12.519	4	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	H(OC[6])	108.7870	0.000	1	107.8953	12.519	4	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	107.5000	0.000	1	107.8953	12.519	4	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	106.2455	4.611	2	106.2455	21.262	2	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(OC[6])	109.5020	0.000	1	109.5020	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	H(OC[6])	109.4570	0.000	1	108.5217	2.411	6	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,4|C<4>}	H(OC[6])	109.4700	0.000	1	108.5217	2.411	6	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	108.8030	1.141	3	108.5217	2.411	6	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|H<1>,3|C<4>}	H(OC[6])	105.7940	0.000	1	108.5217	2.411	6	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(OC[6])	115.8730	0.000	1	112.8060	18.813	2	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.7390	0.000	1	112.8060	18.813	2	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4720	0.000	1	108.4660	2.024	2	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H){1|H<1>,4|C<4>}	H(OC[6])	107.4600	0.000	1	108.4660	2.024	2	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(OH)(H){1|C<4>,2|C<3>}	H(OC[6])	109.5120	0.000	1	109.5120	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4655	0.022	2	109.9250	11.398	4	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	H(OC[6])	114.4680	0.000	1	109.9250	11.398	4	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	106.3010	0.000	1	109.9250	11.398	4	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4960	0.000	1	109.4937	0.001	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){4|C<4>}	H(OC[6])	109.4925	0.043	2	109.4937	0.001	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	H(OC[6])	109.4905	0.022	2	109.4905	0.000	2	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	H(OC[6])	109.4475	0.029	2	109.4475	0.001	2	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	H(OC[6])	109.4920	0.000	1	109.4920	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	H(OC[6])	107.5570	0.000	1	107.5570	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(OH)(H){1|C<4>,4|C<3>}	H(OC[6])	109.4800	0.000	1	109.4800	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	H(OC[6])	109.4810	0.000	1	109.4810	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	H(OC[6])	114.9000	0.000	1	114.9000	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	111.2980	0.000	1	111.2980	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4660	0.000	1	109.7353	0.229	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	109.4520	0.000	1	109.7353	0.229	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	110.2880	0.000	1	109.7353	0.229	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	104.8490	0.000	1	106.9673	5.475	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(OC[6])	109.4790	0.000	1	106.9673	5.475	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	106.5740	0.000	1	106.9673	5.475	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.4680	0.000	1	109.4680	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4728	0.035	5	109.4728	0.001	5	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[6])	108.0950	0.000	1	108.0950	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.5080	0.000	1	108.2597	4.615	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.4920	0.000	1	108.2597	4.615	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	105.7790	0.000	1	108.2597	4.615	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]O[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	108.6530	0.000	1	108.6530	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4880	0.000	1	109.4880	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(OC[6])	109.9770	0.000	1	109.9770	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	108.6184	3.746	7	108.7041	6.569	18	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[6])	109.4870	0.000	1	108.7041	6.569	18	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<4>,3|H<1>}	H(OC[6])	105.8710	0.000	1	108.7041	6.569	18	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.4950	0.000	1	108.7041	6.569	18	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.6370	0.000	1	108.7041	6.569	18	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>}	H(OC[6])	109.7500	0.354	2	108.7041	6.569	18	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	108.1177	2.576	3	108.7041	6.569	18	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	109.0010	0.693	2	108.7041	6.569	18	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	113.3357	6.659	3	111.0463	24.543	6	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.3680	0.000	1	111.0463	24.543	6	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	H(OC[6])	109.4560	0.000	1	111.0463	24.543	6	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	107.4470	0.000	1	111.0463	24.543	6	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(OC[6])	108.6980	1.109	2	106.9863	32.199	10	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(OC[6])	112.3970	0.618	2	106.9863	32.199	10	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>}	H(OC[6])	109.4667	0.024	3	106.9863	32.199	10	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	104.6330	0.000	1	106.9863	32.199	10	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	97.3201	3.592	2	106.9863	32.199	10	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.5340	0.000	1	108.1657	1.619	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	H(OC[6])	107.0180	0.000	1	108.1657	1.619	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	107.9450	0.000	1	108.1657	1.619	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	H(OC[6])	106.6890	0.000	1	106.6890	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4240	0.000	1	109.1631	1.964	16	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4960	0.000	1	109.1631	1.964	16	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|F<1>,2|H<1>}	H(OC[6])	109.5020	0.024	2	109.1631	1.964	16	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(OC[6])	110.3960	3.108	2	109.1631	1.964	16	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>}	H(OC[6])	106.6900	0.000	1	109.1631	1.964	16	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	108.9056	1.267	7	109.1631	1.964	16	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|H<1>,2|C<4>}	H(OC[6])	109.3940	0.000	1	109.1631	1.964	16	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.4700	0.000	1	109.1631	1.964	16	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.5220	0.017	2	109.5220	0.000	2	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4085	1.010	2	108.8983	3.595	14	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	107.2845	0.446	2	108.8983	3.595	14	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[6])	109.7120	4.429	2	108.8983	3.595	14	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4760	0.000	1	108.8983	3.595	14	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,1|S<3>}	H(OC[6])	109.4700	0.024	2	108.8983	3.595	14	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(OC[6])	110.8680	0.000	1	108.8983	3.595	14	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.4885	0.004	2	108.8983	3.595	14	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	H(OC[6])	105.3260	0.000	1	108.8983	3.595	14	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	108.1790	0.000	1	108.8983	3.595	14	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<3>,3|H<1>}	H(OC[6])	109.4750	0.000	1	109.0930	1.448	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	108.9020	1.636	2	109.0930	1.448	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(OC[6])	106.5080	0.000	1	107.8720	5.820	7	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	108.0993	2.559	6	107.8720	5.820	7	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H){1|C<3>,2|H<1>}	H(OC[6])	109.4790	0.000	1	109.4790	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H){1|C<4>,4|C<3>}	H(OC[6])	109.4690	0.000	1	108.0497	6.078	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	H(OC[6])	107.3400	3.022	2	108.0497	6.078	3	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(OC[6])	109.5020	0.000	1	109.5020	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(OC[6])	104.4090	0.000	1	104.4090	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OH)(H){4|C<3>}	H(OC[6])	109.4944	0.048	7	109.4944	0.002	7	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	110.4875	1.421	2	110.4875	2.018	2	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>}	H(OC[6])	109.4780	0.000	1	109.4780	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>}	H(OC[6])	107.8120	2.575	2	108.6407	3.127	4	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	H(OC[6])	109.4695	0.035	2	108.6407	3.127	4	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(OC[6])	109.4650	0.000	1	109.4650	0.000	1	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	H(OC[6])	109.5065	0.158	2	109.5065	0.025	2	108.8102	7.063	179	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(OC[6])	109.4710	0.000	1	109.4710	0.000	1	107.3767	12.041	10	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H){1|O<1>,4|C<3>}	H(OC[6])	109.4690	0.000	1	109.4690	0.000	1	107.3767	12.041	10	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	H(OC[6])	101.5430	0.000	1	101.5430	0.000	1	107.3767	12.041	10	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H){1|N<3>,2|O<1>}	H(OC[6])	109.4790	0.000	1	109.4790	0.000	1	107.3767	12.041	10	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H){1|N<3>,2|O<1>}	H(OC[6])	108.7720	0.000	1	108.7720	0.000	1	107.3767	12.041	10	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H){1|C<3>,2|H<1>}	H(OC[6])	110.1790	0.000	1	110.1790	0.000	1	107.3767	12.041	10	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	H(OC[6])	109.4540	0.000	1	109.4540	0.000	1	107.3767	12.041	10	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	H(OC[6])	104.4240	0.000	1	104.4240	0.000	1	107.3767	12.041	10	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(OC[6])	109.4370	0.000	1	109.4370	0.000	1	107.3767	12.041	10	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:1:	2:	C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	O-2:	O(C[6]C[6]N[6]H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	H(OC[6])	101.5390	0.000	1	101.5390	0.000	1	107.3767	12.041	10	108.9744	7.991	378	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	O-2:	O(C[6]C[5,6]C[6a]O[6])(H)	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6a]C[6a]2)(O[6]C[6])(OH)	H(OC[6])	O(C[6]C[5,6]C[6a]O[6])(H)	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6a]C[6a]2)(O[6]C[6])(OH){2|C<4>,4|C<3>,5|H<1>}	H(OC[6])	110.4480	0.000	1	110.4480	0.000	1	110.4480	0.000	1	107.8370	8.535	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6a]-3:S[6]-2:O-2:	O-2:	O(C[6]C[5,6]C[6a]S[6])(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(S[6]C[6,6a])(OH)	H(OC[6])	O(C[6]C[5,6]C[6a]S[6])(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(S[6]C[6,6a])(OH){3|H<1>,7|C<3>}	H(OC[6])	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	107.8370	8.535	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)(OH){1|C<4>,3|H<1>}	H(OC[6])	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	107.8370	8.535	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:O-2:	O-2:	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC[6a])(OH)	H(OC[6])	O(C[6]C[6]2O)(H)	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>}	H(OC[6])	102.3510	0.000	1	102.3510	0.000	1	106.1656	8.989	5	107.8370	8.535	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:O-2:	O-2:	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]OO)(C[6]C[6]O)(OH)2	H(OC[6])	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]OO)(C[6]C[6]O)(OH)2{1|C<3>,1|O<1>,1|O<2>}	H(OC[6])	107.1192	2.434	4	107.1192	5.923	4	106.1656	8.989	5	107.8370	8.535	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6a]-3:O[6]-2:O-2:	O-2:	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(OH)	H(OC[6])	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(OH){1|Ru<10>,2|C<4>,2|H<1>,6|C<3>}	H(OC[6])	109.4560	0.000	1	109.4560	0.000	1	109.4560	0.000	1	107.8370	8.535	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O)(COO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O)(COO)(OH){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	109.4730	0.000	1	109.4730	0.000	1	113.5540	33.309	2	110.0609	9.959	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH){4|C<4>,4|H<1>}	H(OC[6])	117.6350	0.000	1	117.6350	0.000	1	113.5540	33.309	2	110.0609	9.959	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:O-2:	O-2:	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH)	H(OC[6])	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(OC[6])	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	110.0609	9.959	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:3:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C-3:O-2:	O-2:	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)(OH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(OC[6])	110.2100	0.000	1	110.2100	0.000	1	110.2100	0.000	1	110.0609	9.959	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:3:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-3:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH){3|C<4>,5|H<1>}	H(OC[6])	105.6620	0.000	1	105.6620	0.000	1	108.4830	6.140	3	110.0609	9.959	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:3:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-3:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(OC[6])	109.8935	0.586	2	109.8935	0.344	2	108.4830	6.140	3	110.0609	9.959	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:3:2:	2:	C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-3:O-2:	O-2:	O(C[6]C[6,6]N[6]C)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]C)(COO)(OH)	H(OC[6])	O(C[6]C[6,6]N[6]C)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]C)(COO)(OH){2|C<3>,2|H<1>,3|C<4>}	H(OC[6])	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	110.0609	9.959	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(COO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(COO)(OH){1|H<1>,3|C<4>}	H(OC[6])	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	110.0609	9.959	9	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CH3)(OH)	H(OC[6])	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[6])	109.1410	0.000	1	109.1410	0.000	1	109.3045	0.053	2	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]O)(CH3)(OH){1|C<3>,2|C<4>}	H(OC[6])	109.4680	0.000	1	109.4680	0.000	1	109.3045	0.053	2	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[3x6]-4:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[3x6]C)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[3x6]C)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(OC[6])	108.4205	1.442	2	108.4205	2.079	2	108.4205	2.079	2	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[3x6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH)	H(OC[6])	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CCCH)(OH){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	109.4445	0.033	2	109.4445	0.001	2	109.2006	0.456	7	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[3x6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>,4|C<4>}	H(OC[6])	109.4840	0.000	1	108.8810	1.100	3	109.2006	0.456	7	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[3x6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	108.5795	1.286	2	108.8810	1.100	3	109.2006	0.456	7	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[3x6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CHHO)(OH)	H(OC[6])	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CHHO)(OH){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	109.4550	0.000	1	109.4550	0.000	1	109.2006	0.456	7	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[3x6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]O)(CCHH)(OH)	H(OC[6])	O(C[6]C[3x6]C[6]C)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]O)(CCHH)(OH){2|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.4170	0.000	1	109.4170	0.000	1	109.2006	0.456	7	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(OC[6])	109.4765	0.022	2	109.4684	0.000	7	110.1255	2.200	11	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){2|N<3>,3|C<3>,4|H<1>}	H(OC[6])	109.4652	0.023	5	109.4684	0.000	7	110.1255	2.200	11	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(OC[6])	113.0930	0.687	2	113.0930	0.472	2	110.1255	2.200	11	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|C<4>,3|H<1>,6|C<3>}	H(OC[6])	109.4580	0.057	2	109.4580	0.003	2	110.1255	2.200	11	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4435	0.016	2	109.4435	0.000	2	109.1040	3.068	11	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)(OH){1|O<2>,2|C<4>,5|H<1>}	H(OC[6])	109.4450	0.000	1	109.4450	0.000	1	109.1040	3.068	11	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(OC[6])	108.4230	0.000	1	107.5695	1.457	2	109.1040	3.068	11	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	H(OC[6])	106.7160	0.000	1	107.5695	1.457	2	109.1040	3.068	11	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	107.0740	0.000	1	107.0740	0.000	1	109.1040	3.068	11	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.4860	2.078	4	109.9198	4.180	5	109.1040	3.068	11	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(CH3)(OH){1|O<2>,3|C<4>}	H(OC[6])	111.6550	0.000	1	109.9198	4.180	5	109.1040	3.068	11	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	H(OC[6])	109.4630	0.000	1	109.4630	0.000	1	109.4730	0.000	2	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	H(OC[6])	109.4830	0.000	1	109.4830	0.000	1	109.4730	0.000	2	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C-4:O-2:	O-2:	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	H(OC[6])	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(OC[6])	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)(OH){3|C<4>,5|H<1>}	H(OC[6])	107.5430	0.000	1	107.5430	0.000	1	108.3952	2.353	5	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	106.0830	0.000	1	106.0830	0.000	1	108.3952	2.353	5	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)(OH){4|C<4>,4|H<1>}	H(OC[6])	109.4425	0.021	2	109.4425	0.000	2	108.3952	2.353	5	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]O)(CH3)(OH){1|H<1>,2|C<3>,3|C<4>}	H(OC[6])	109.4650	0.000	1	109.4650	0.000	1	108.3952	2.353	5	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6,6]C[6a]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[6,6]C[6a]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(OC[6])	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:N[6]-3:C-4:O-2:	O-2:	O(C[6]C[6,6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(OC[6])	109.6695	0.315	2	109.6695	0.099	2	109.6695	0.099	2	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,5,6]CC)(C[6]C[6]O)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4648	0.023	6	109.4648	0.001	6	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]O)(CH3)(OH){1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	112.0410	0.000	1	112.0410	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]O)(CH3)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.5080	0.000	1	109.5080	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CCHH)(OH){1|H<1>,2|C<3>}	H(OC[6])	109.4460	0.000	1	109.4460	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)(OH){3|C<3>,3|H<1>}	H(OC[6])	109.5090	0.000	1	109.5090	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)(OH){2|C<4>,2|H<1>}	H(OC[6])	109.5023	0.008	3	109.5023	0.000	3	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(CH3)(OH){1|H<1>,2|C<3>}	H(OC[6])	109.5000	0.000	1	109.5000	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(OC[6])	108.3830	0.000	1	108.3830	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	104.3090	0.000	1	104.3090	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	114.4360	0.000	1	114.4360	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4750	0.000	1	108.7511	3.472	7	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|C<4>,2|C<3>}	H(OC[6])	109.4555	0.009	2	108.7511	3.472	7	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(OC[6])	109.4487	0.057	3	108.7511	3.472	7	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CH3)(OH){3|C<3>}	H(OC[6])	104.5260	0.000	1	108.7511	3.472	7	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	110.1230	0.000	1	110.1230	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)(OH){1|C<4>,1|O<1>}	H(OC[6])	103.8880	0.000	1	103.8880	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(OH){1|C<4>,3|H<1>}	H(OC[6])	109.5120	0.000	1	109.5120	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(OC[6])	108.4670	1.387	2	108.4730	2.857	9	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	108.4747	1.868	7	108.4730	2.857	9	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHN)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHN)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	106.2740	0.000	1	106.2740	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(OH){1|H<1>,3|C<4>}	H(OC[6])	109.4880	0.000	1	109.4880	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>}	H(OC[6])	109.4560	0.014	2	109.4560	0.000	2	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.4390	0.000	1	109.4390	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	H(OC[6])	104.4010	0.000	1	104.4010	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.5040	0.000	1	109.5040	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>}	H(OC[6])	109.4580	0.000	1	109.4580	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CCCO)(OH){1|H<1>,2|C<4>}	H(OC[6])	122.7750	0.000	1	122.7750	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.4910	0.000	1	109.4910	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CCHH)(OH){1|C<3>,1|O<2>,2|H<1>}	H(OC[6])	109.4720	0.010	2	109.4720	0.000	2	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	H(OC[6])	109.4720	0.000	1	109.4720	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHHS)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHHS)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[6])	109.4705	0.049	2	109.4705	0.002	2	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6])	111.9220	1.515	2	108.7348	12.012	5	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(CH3)(OH){2|C<4>,3|C<3>}	H(OC[6])	106.6100	2.439	3	108.7348	12.012	5	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]O)(CH3)(OH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(OC[6])	109.4110	0.000	1	109.4110	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(CH3)(OH){1|C<3>,2|C<4>}	H(OC[6])	108.2150	0.000	1	108.2150	0.000	1	109.1701	7.140	58	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	H(OC[6])	109.5300	0.000	1	109.5300	0.000	1	109.4953	0.001	3	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(OC[6])	109.4640	0.000	1	109.4640	0.000	1	109.4953	0.001	3	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH){1|C<4>,3|C<3>,4|H<1>}	H(OC[6])	109.4920	0.000	1	109.4920	0.000	1	109.4953	0.001	3	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	H(OC[6])	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(OC[6])	108.6412	2.367	12	108.7898	4.501	15	108.4565	5.008	17	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	H(OC[6])	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(OC[6])	109.3840	0.184	3	108.7898	4.501	15	108.4565	5.008	17	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:3:4:2:	2:	C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:O-2:	O-2:	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH)	H(OC[6])	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH){1|C<4>,1|N<3>,1|O<2>,1|S<1>}	H(OC[6])	105.9570	1.720	2	105.9570	2.957	2	108.4565	5.008	17	109.1369	4.778	122	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[3,5,6]C[5,6]H)(H)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[3,5,6]C[5,6]H)(H)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,2|O<2>,6|C<4>}	H(OC[6])	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,5,6]C[6]H)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,5,6]C[6]H)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(OC[6])	109.4675	0.008	2	109.4603	0.000	3	109.4603	0.000	3	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,5,6]C[6]H)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,5,6]C[6]H)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	H(OC[6])	109.4460	0.000	1	109.4603	0.000	3	109.4603	0.000	3	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6,6]C[6,6]H)(H)	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[3,6,6]C[6,6]H)(H)	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(OC[6])	109.5040	0.000	1	109.5040	0.000	1	109.5040	0.000	1	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6,6]C[6]H)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,6,6]C[6]H)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	H(OC[6])	109.4510	0.000	1	109.4510	0.000	1	109.4645	0.000	2	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6,6]C[6]H)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[3,6,6]C[6]H)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H){2|H<1>,5|C<4>}	H(OC[6])	109.4780	0.000	1	109.4780	0.000	1	109.4645	0.000	2	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]2H)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(OH)(H)	H(OC[6])	O(C[6]C[3,6]2H)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(OH)(H){1|H<1>,2|C<4>}	H(OC[6])	109.4380	0.000	1	109.4380	0.000	1	109.4625	0.001	2	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[3,6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]2H)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	H(OC[6])	O(C[6]C[3,6]2H)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|H<1>,2|C<4>}	H(OC[6])	109.4870	0.000	1	109.4870	0.000	1	109.4625	0.001	2	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[5,6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[5,6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	107.3152	1.540	5	107.3152	2.373	5	107.9923	3.568	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[5,6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[5,6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,2|C<4>}	H(OC[6])	108.3854	2.297	5	108.3854	5.278	5	107.9923	3.568	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[5,6]H)(H)	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[5,6]H)(H)	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(OC[6])	109.4120	0.000	1	109.4120	0.000	1	107.9923	3.568	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	103.0040	0.000	1	103.0040	0.000	1	104.3510	3.629	2	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]O)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(OC[6])	105.6980	0.000	1	105.6980	0.000	1	104.3510	3.629	2	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(OC[6])	109.4260	0.000	1	109.4260	0.000	1	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.9830	0.000	1	109.9830	0.000	1	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	H(OC[6])	109.4680	0.000	1	109.4680	0.000	1	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	107.1780	0.000	1	107.1780	0.000	1	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4795	0.052	2	109.4795	0.003	2	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	106.9267	4.526	3	106.8246	17.744	5	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	106.6715	5.471	2	106.8246	17.744	5	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	H(OC[6])	109.4405	0.021	2	109.4405	0.000	2	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.4900	0.000	1	109.4900	0.000	1	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	107.7420	0.000	1	107.7420	0.000	1	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]BrH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	108.5555	1.344	2	108.5555	1.807	2	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<2>,2|C<4>}	H(OC[6])	111.2290	0.000	1	109.5910	5.661	4	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(OC[6])	110.3170	0.000	1	109.5910	5.661	4	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<4>,3|H<1>}	H(OC[6])	108.4090	3.314	2	109.5910	5.661	4	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<3>}	H(OC[6])	109.4800	0.000	1	109.4800	0.000	1	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]N[5]H)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]N[5]H)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(OC[6])	107.7880	0.000	1	107.7880	0.000	1	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[6])	109.5185	0.025	2	109.5185	0.001	2	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(OC[6])	109.4690	0.000	1	109.4690	0.000	1	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	H(OC[6])	109.5950	0.000	1	111.0120	6.761	3	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[6])	109.4280	0.000	1	111.0120	6.761	3	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,4|H<1>}	H(OC[6])	114.0130	0.000	1	111.0120	6.761	3	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,5|H<1>}	H(OC[6])	109.4710	0.017	2	109.4680	0.000	3	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6]H)(H)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	H(OC[6])	109.4620	0.000	1	109.4680	0.000	3	108.9981	4.883	32	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[3x6]C[6,6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[3x6]C[6,6]H)(H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6]H)(OH)(H){3|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(OC[6])	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|H<1>,5|C<4>}	H(OC[6])	109.4390	0.000	1	109.4390	0.000	1	107.7051	10.056	7	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H){2|H<1>,3|C<3>,3|C<4>}	H(OC[6])	109.4925	0.095	2	109.4925	0.009	2	107.7051	10.056	7	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(OC[6])	109.4620	0.000	1	109.4620	0.000	1	107.7051	10.056	7	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(OC[6])	103.2745	2.314	2	103.2745	5.356	2	107.7051	10.056	7	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[3x6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H)	H(OC[6])	O(C[6]C[3x6]C[6]H)(H)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|O<1>,3|C<3>}	H(OC[6])	109.5010	0.000	1	109.5010	0.000	1	107.7051	10.056	7	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[4,6,6]C[6]H)(H)	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[4,6,6]C[6]H)(H)	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,4|C<4>,4|H<1>}	H(OC[6])	104.9880	0.000	1	104.9880	0.000	1	104.9880	0.000	1	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[4,6]C[5,6]H)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H)	H(OC[6])	O(C[6]C[4,6]C[5,6]H)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H){1|O<2>,4|H<1>,5|C<4>}	H(OC[6])	107.7120	0.000	1	107.7120	0.000	1	107.7120	0.000	1	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	H(OC[6])	109.4670	0.000	1	109.4670	0.000	1	106.3105	22.105	12	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(OC[6])	112.3610	0.000	1	112.3610	0.000	1	106.3105	22.105	12	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	H(OC[6])	109.3940	0.000	1	109.3940	0.000	1	106.3105	22.105	12	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	H(OC[6])	112.0140	0.000	1	104.6943	42.489	3	106.3105	22.105	12	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	H(OC[6])	101.0345	2.147	2	104.6943	42.489	3	106.3105	22.105	12	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(OC[6])	100.3398	3.147	2	100.3398	9.903	2	106.3105	22.105	12	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	H(OC[6])	107.2890	1.967	3	107.2890	3.870	3	106.3105	22.105	12	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[4,6]C[6]H)(H)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[6])	107.8740	0.000	1	107.8740	0.000	1	106.3105	22.105	12	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4x6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[4x6]C[5,6]H)(H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6]C[5,6,6a]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[4x6]C[5,6]H)(H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6]C[5,6,6a]C[5]H)(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(OC[6])	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4x6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	H(OC[6])	107.6088	4.139	10	107.7776	15.729	11	108.0398	13.517	13	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4x6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|C<4>,5|H<1>}	H(OC[6])	109.4660	0.000	1	107.7776	15.729	11	108.0398	13.517	13	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4x6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,7|C<4>}	H(OC[6])	109.5050	0.000	1	109.5050	0.000	1	108.0398	13.517	13	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[4x6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[4x6]C[6]H)(H)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(OH)(H){1|C<3>,7|C<4>}	H(OC[6])	109.4580	0.000	1	109.4580	0.000	1	108.0398	13.517	13	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	H(OC[6])	109.4720	0.003	2	109.4720	0.000	2	108.6600	11.070	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	H(OC[6])	109.4295	5.151	4	109.4295	26.537	4	108.6600	11.070	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(OC[6])	109.4685	0.043	2	109.4685	0.002	2	108.6600	11.070	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,3x6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,3x6]C[6]H)(H)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	H(OC[6])	106.5537	2.528	3	106.5537	6.390	3	108.6600	11.070	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,5,3x6]C[6]H)(H)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,5,3x6]C[6]H)(H)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	H(OC[6])	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,5,6,6]C[5,6]H)(H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,5,6,6]C[5,6]H)(H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(OC[6])	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H){2|H<1>,2|O<2>,5|C<4>}	H(OC[6])	109.0495	0.955	2	109.0495	0.913	2	108.7501	1.630	7	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|N<4>,4|H<1>,6|C<4>}	H(OC[6])	106.0830	0.000	1	106.0830	0.000	1	108.7501	1.630	7	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	H(OC[6])	109.5040	0.000	1	109.5040	0.000	1	108.7501	1.630	7	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	H(OC[6])	109.4565	0.025	2	109.4565	0.001	2	108.7501	1.630	7	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,5,6,6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	H(OC[6])	108.6520	0.000	1	108.6520	0.000	1	108.7501	1.630	7	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,5,6]C[5,6]H)(H)	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,5,6]C[5,6]H)(H)	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,5|H<1>,6|C<4>}	H(OC[6])	109.4690	0.000	1	109.4690	0.000	1	109.4690	0.000	1	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,5,6]C[6]H)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,5,6]C[6]H)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(OC[6])	107.0120	0.000	1	107.0120	0.000	1	108.6493	2.012	3	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,5,6]C[6]H)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,5,6]C[6]H)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,5|C<4>,5|H<1>}	H(OC[6])	109.4680	0.052	2	109.4680	0.003	2	108.6493	2.012	3	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(OC[6])	109.4440	0.000	1	109.4440	0.000	1	108.1765	11.807	8	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[6])	107.7522	3.958	6	107.7522	15.665	6	108.1765	11.807	8	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H){3|C<3>,3|C<4>,4|H<1>}	H(OC[6])	109.4550	0.000	1	109.4550	0.000	1	108.1765	11.807	8	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(OC[6])	106.5640	0.000	1	106.5640	0.000	1	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){2|H<1>,6|C<4>}	H(OC[6])	109.4500	0.034	2	109.4500	0.001	2	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.4680	0.021	2	109.4680	0.000	2	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(OC[6])	109.4205	0.036	2	109.4205	0.001	2	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){3|H<1>,6|C<4>}	H(OC[6])	109.6003	4.000	4	109.6003	16.000	4	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(OC[6])	109.4530	0.000	1	109.4530	0.000	1	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(OC[6])	108.7510	0.000	2	108.7510	0.000	2	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(OC[6])	109.4140	0.000	1	109.4140	0.000	1	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H){2|C<3>,4|C<4>,4|H<1>}	H(OC[6])	110.2360	1.450	2	110.2360	2.101	2	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	H(OC[6])	106.9425	0.629	2	106.9425	0.395	2	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.4950	0.000	1	109.4950	0.000	1	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(OC[6])	110.2250	0.000	1	110.2250	0.000	1	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(OC[6])	109.2090	0.430	3	108.6916	2.542	5	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>,6|H<1>}	H(OC[6])	105.9420	0.000	1	108.6916	2.542	5	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	H(OC[6])	109.8890	0.000	1	108.6916	2.542	5	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(OC[6])	109.0630	0.000	1	108.0500	4.397	3	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(OC[6])	105.6390	0.000	1	108.0500	4.397	3	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(OC[6])	109.4480	0.000	1	108.0500	4.397	3	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	H(OC[6])	109.4800	0.000	1	109.4800	0.000	1	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H){1|C<2>,1|O<2>,2|H<1>,5|C<4>}	H(OC[6])	108.4100	0.000	1	108.4100	0.000	1	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,5|H<1>}	H(OC[6])	107.0680	0.000	1	107.0680	0.000	1	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(OC[6])	109.4600	0.000	1	109.4600	0.000	1	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,5|H<1>}	H(OC[6])	109.5180	0.000	1	109.5180	0.000	1	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6,6]C[6]H)(H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	H(OC[6])	109.5065	0.009	2	109.5065	0.000	2	108.9624	2.864	36	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[3,6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[3,6]C[3,6]O[3]H)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[3,6]C[3,6]O[3]H)(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	H(OC[6])	110.4520	0.000	1	110.4520	0.000	1	108.6632	4.830	27	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,5|C<4>}	H(OC[6])	105.7100	1.061	2	105.7100	1.125	2	108.6632	4.830	27	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	H(OC[6])	109.4600	0.000	1	108.6882	3.538	6	108.6632	4.830	27	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	H(OC[6])	108.5338	2.060	5	108.6882	3.538	6	108.6632	4.830	27	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(OC[6])	110.3040	0.000	1	110.3040	0.000	1	108.6632	4.830	27	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	H(OC[6])	107.9223	1.384	3	107.9223	1.917	3	108.6632	4.830	27	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H){1|O<2>,4|C<4>,4|H<1>}	H(OC[6])	109.4960	0.000	1	109.4960	0.000	1	108.6632	4.830	27	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H){2|O<2>,4|H<1>,5|C<4>}	H(OC[6])	109.4597	0.049	3	109.4597	0.002	3	108.6632	4.830	27	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(OC[6])	107.7645	4.120	2	107.7645	16.977	2	108.6632	4.830	27	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	H(OC[6])	105.0780	0.000	1	105.0780	0.000	1	108.6632	4.830	27	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	108.9810	0.000	1	108.9810	0.000	1	108.6632	4.830	27	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	113.2410	0.000	1	113.2410	0.000	1	108.6632	4.830	27	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(OC[6])	108.1305	4.405	2	109.0262	5.548	5	108.6632	4.830	27	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	H(OC[6])	O(C[6]C[5,6]2H)(H)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	H(OC[6])	109.6233	0.242	3	109.0262	5.548	5	108.6632	4.830	27	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(OC[6])	109.4990	0.000	1	109.4990	0.000	1	108.1610	4.009	5	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(OC[6])	107.3970	0.000	1	107.3970	0.000	1	108.1610	4.009	5	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(OC[6])	109.4420	0.000	1	109.4420	0.000	1	108.1610	4.009	5	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(OC[6])	109.5030	0.000	1	109.5030	0.000	1	108.1610	4.009	5	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[6,6a]O[5]2)(C[6,6]C[6]2O[6])(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[5,6]C[6,6a]O[5]2)(C[6,6]C[6]2O[6])(OH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(OC[6])	104.9640	0.000	1	104.9640	0.000	1	108.1610	4.009	5	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	H(OC[6])	109.4750	0.000	1	109.4750	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(OC[6])	109.1570	1.653	2	109.1570	2.733	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	H(OC[6])	109.4260	0.000	1	109.4260	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(OC[6])	108.6715	1.639	4	108.6715	2.687	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(OC[6])	108.7207	1.293	3	108.7207	1.672	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(OC[6])	109.4520	0.000	1	109.4544	0.001	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4460	0.000	1	109.4544	0.001	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	H(OC[6])	109.4660	0.031	3	109.4544	0.001	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	H(OC[6])	109.4425	0.026	2	109.4544	0.001	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	H(OC[6])	108.9010	0.000	1	108.9010	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	111.2135	2.512	2	111.2135	6.312	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H){2|H<1>,4|C<4>}	H(OC[6])	111.3320	2.663	2	111.3320	7.091	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(OC[6])	104.5110	1.151	2	104.5110	1.325	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(OC[6])	109.4690	0.000	1	109.4690	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	109.5140	0.000	1	109.5140	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(OC[6])	109.4803	0.042	3	109.4803	0.002	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(OC[6])	108.5520	0.000	1	109.8606	35.523	130	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(OC[6])	107.8000	2.418	2	109.8606	35.523	130	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[6])	105.5030	1.690	2	109.8606	35.523	130	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(OC[6])	109.4760	0.000	1	109.8606	35.523	130	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	H(OC[6])	110.6040	0.000	1	109.8606	35.523	130	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	H(OC[6])	109.7950	0.464	2	109.8606	35.523	130	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(OC[6])	109.4810	0.000	1	109.8606	35.523	130	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.4760	0.000	1	109.8606	35.523	130	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	H(OC[6])	100.7070	0.000	1	109.8606	35.523	130	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(OC[6])	110.0626	6.157	118	109.8606	35.523	130	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	H(OC[6])	109.4425	0.033	2	109.4425	0.001	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	H(OC[6])	109.4640	0.000	1	109.4640	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,6|H<1>}	H(OC[6])	109.4450	0.127	2	109.4450	0.016	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(OC[6])	104.5745	2.164	2	104.5745	4.685	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	108.3420	0.000	1	108.3420	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(OC[6])	106.6240	0.783	2	106.6240	0.614	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(OC[6])	109.4770	0.007	3	109.4770	0.000	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,6|C<4>}	H(OC[6])	109.2813	0.675	17	109.2813	0.455	17	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	H(OC[6])	109.4647	0.016	3	109.4647	0.000	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(OC[6])	109.0870	0.000	1	110.0915	0.993	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	H(OC[6])	110.9130	0.461	2	110.0915	0.993	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	109.4530	0.000	1	110.0915	0.993	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(OC[6])	109.5350	0.000	1	109.5463	0.000	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	H(OC[6])	109.5500	0.000	3	109.5463	0.000	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H){1|O<1>,1|O<2>,5|C<4>}	H(OC[6])	106.7130	0.000	1	106.7130	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(OC[6])	109.5025	0.005	2	109.5025	0.000	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	H(OC[6])	110.0290	0.000	1	110.0290	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(OC[6])	109.4697	0.098	3	109.4815	0.004	6	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	H(OC[6])	109.4895	0.030	2	109.4815	0.004	6	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	109.5010	0.000	1	109.4815	0.004	6	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(OC[6])	107.9490	0.000	1	107.9490	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	108.1137	1.737	4	108.1137	3.018	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	104.0580	3.172	2	104.0580	10.062	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|Br<1>,3|C<4>,3|H<1>}	H(OC[6])	109.4930	0.000	1	108.1082	2.914	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	H(OC[6])	109.4900	0.000	1	108.1082	2.914	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(OC[6])	107.4630	0.000	1	108.1082	2.914	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	H(OC[6])	105.9870	0.000	1	108.1082	2.914	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|S<4>}	H(OC[6])	109.4040	0.044	2	109.4040	0.002	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	109.4790	0.000	1	109.4790	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	109.4895	0.087	2	109.4895	0.008	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	H(OC[6])	109.4410	0.000	1	109.4410	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4850	0.000	1	109.4850	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(OC[6])	108.9839	1.268	10	108.9839	1.607	10	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	105.3760	0.000	1	105.3760	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	112.3640	0.000	1	112.3640	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	106.6790	0.000	1	106.6790	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(OC[6])	109.9120	0.000	1	109.9120	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	109.3600	0.000	1	109.1901	0.516	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.4810	0.000	2	109.1901	0.516	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	109.4725	0.018	2	109.1901	0.516	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|S<2>,2|C<4>}	H(OC[6])	109.4990	0.000	1	109.1901	0.516	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	107.5650	0.000	1	109.1901	0.516	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(OC[6])	109.4600	0.000	1	107.6907	8.501	13	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	105.2118	4.097	4	107.6907	8.501	13	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.5690	0.000	1	107.6907	8.501	13	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,5|C<4>}	H(OC[6])	109.4570	0.000	1	107.6907	8.501	13	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	106.3645	0.991	2	107.6907	8.501	13	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4793	0.028	4	107.6907	8.501	13	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(OC[6])	117.7050	0.000	1	113.9020	28.926	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	110.0990	0.000	1	113.9020	28.926	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	113.2700	0.000	1	113.2700	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	108.2750	4.921	2	108.8710	8.548	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.4890	0.000	1	108.8710	8.548	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4450	0.000	1	108.8710	8.548	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	108.1080	1.929	2	108.1368	2.085	6	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>}	H(OC[6])	106.7700	0.000	1	108.1368	2.085	6	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	108.3860	0.000	1	108.1368	2.085	6	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(OC[6])	107.2960	0.000	1	108.1368	2.085	6	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,4|C<4>}	H(OC[6])	110.1530	0.000	1	108.1368	2.085	6	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	105.7860	0.000	1	105.7860	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.5060	0.000	1	109.5060	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.5870	0.594	8	109.5870	0.352	8	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.4730	0.013	3	109.4730	0.000	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4957	0.016	3	109.4957	0.000	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H){3|C<4>,3|H<1>}	H(OC[6])	109.4530	0.000	1	109.4530	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|S<2>,3|H<1>}	H(OC[6])	109.4500	0.000	1	109.4500	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	107.2190	0.000	1	107.2190	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	109.4670	7.485	2	106.4793	53.962	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|N<3>,2|C<4>,2|H<1>}	H(OC[6])	103.4916	8.376	2	106.4793	53.962	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(OC[6])	109.4930	0.000	1	109.4830	0.000	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(OC[6])	109.4730	0.000	1	109.4830	0.000	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(OC[6])	109.5415	0.101	2	109.5060	0.009	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(OC[6])	109.4350	0.000	1	109.5060	0.009	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(OC[6])	107.5187	4.343	3	107.1400	16.926	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(OC[6])	104.7219	6.695	2	107.1400	16.926	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	H(OC[6])	109.1150	0.000	1	107.1400	16.926	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(OC[6])	108.8650	0.000	1	107.1400	16.926	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H){1|S<4>,3|C<4>,6|H<1>}	H(OC[6])	109.4690	0.000	1	109.4690	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	H(OC[6])	112.6680	0.000	1	112.6680	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	H(OC[6])	108.6980	1.232	2	108.9650	0.973	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){3|C<4>,6|H<1>}	H(OC[6])	109.4990	0.000	1	108.9650	0.973	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	H(OC[6])	110.1490	0.000	1	110.1490	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(OC[6])	111.0480	0.000	1	111.0480	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	H(OC[6])	109.4750	0.053	12	109.4750	0.003	12	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	109.4430	0.000	1	109.4430	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(OC[6])	126.8870	0.000	1	112.2803	51.248	6	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4940	0.000	1	112.2803	51.248	6	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(OC[6])	108.9450	0.000	1	112.2803	51.248	6	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(OC[6])	109.4480	0.000	2	112.2803	51.248	6	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<3>,4|H<1>}	H(OC[6])	109.4600	0.000	1	112.2803	51.248	6	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(OC[6])	107.0885	3.364	2	109.3206	4.990	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(OC[6])	109.5060	0.000	1	109.3206	4.990	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[6])	110.6730	0.000	1	109.3206	4.990	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(OC[6])	109.4790	0.000	1	109.3206	4.990	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,4|C<4>}	H(OC[6])	111.9170	0.000	1	109.3206	4.990	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,5|C<4>}	H(OC[6])	109.4920	0.000	1	109.3206	4.990	7	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	H(OC[6])	109.5030	0.043	3	109.5030	0.002	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|O<1>}	H(OC[6])	109.3330	0.000	1	107.4940	14.144	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(OC[6])	102.0120	0.000	1	107.4940	14.144	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(OC[6])	108.2290	0.000	1	107.4940	14.144	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	110.4020	0.000	1	107.4940	14.144	4	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	113.6390	0.000	1	113.6390	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	H(OC[6])	109.4310	0.000	1	109.4557	0.001	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(OC[6])	109.4410	0.000	1	109.4557	0.001	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	H(OC[6])	109.4950	0.000	1	109.4557	0.001	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H){1|As<3>,1|S<2>,2|H<1>}	H(OC[6])	114.9390	0.000	1	114.9390	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H){2|C<3>,2|C<4>}	H(OC[6])	110.2430	0.000	1	110.2430	0.000	1	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H){1|F<1>,1|H<1>,2|C<4>}	H(OC[6])	108.8880	5.227	2	108.8880	27.321	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<4>}	H(OC[6])	109.4953	0.070	3	109.4953	0.005	3	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6]H)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	108.4320	1.442	2	108.4320	2.081	2	109.3429	16.696	364	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	110.2673	2.115	3	110.2673	4.475	3	111.1778	4.590	5	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(OC[6])	111.2800	0.000	1	111.2800	0.000	1	111.1778	4.590	5	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:O-2:H-1:	O-2:	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	H(OC[6])	O(C[6]C[3,6]C[6,6]H)(H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(OC[6])	113.8070	0.000	1	113.8070	0.000	1	111.1778	4.590	5	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	H(OC[6])	104.9430	0.000	1	104.9430	0.000	1	109.0705	1.877	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	H(OC[6])	109.4330	0.024	2	109.4330	0.001	2	109.0705	1.877	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(OC[6])	109.4950	0.077	5	109.4950	0.006	5	109.0705	1.877	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	H(OC[6])	O(C[6]C[5,6]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,3|H<1>,4|C<3>}	H(OC[6])	109.4973	0.010	3	109.4973	0.000	3	109.0705	1.877	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|H<1>,7|C<4>}	H(OC[6])	105.8120	0.000	1	105.8120	0.000	1	108.8776	1.744	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<3>,1|H<1>,7|C<4>}	H(OC[6])	109.4550	0.000	1	109.4550	0.000	1	108.8776	1.744	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H)	H(OC[6])	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>,5|C<3>}	H(OC[6])	108.0590	1.983	2	108.0590	3.931	2	108.8776	1.744	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H)	H(OC[6])	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(OC[6])	109.4630	0.000	1	109.4630	0.000	1	108.8776	1.744	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<4>,3|H<1>}	H(OC[6])	109.4560	0.000	1	109.4560	0.000	1	108.8776	1.744	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H)	H(OC[6])	O(C[6]C[6,6]2H)(H)	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	H(OC[6])	109.4700	0.044	5	109.4700	0.002	5	108.8776	1.744	11	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	H(OC[6])	107.8678	7.542	4	107.8678	56.883	4	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(OC[6])	109.5040	0.000	1	109.5040	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	H(OC[6])	109.4290	0.000	1	109.4290	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(OC[6])	109.4940	0.000	1	109.4940	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(OC[6])	111.2875	1.155	2	111.2875	1.333	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	H(OC[6])	109.4860	0.000	1	109.4720	0.000	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(OC[6])	109.4580	0.000	1	109.4720	0.000	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	109.5320	0.000	1	109.5320	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,7|C<4>}	H(OC[6])	105.9410	0.000	1	105.9410	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	H(OC[6])	104.9533	8.001	2	106.4489	38.720	3	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	H(OC[6])	109.4400	0.000	1	106.4489	38.720	3	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	H(OC[6])	109.4820	0.000	1	109.4820	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(OC[6])	109.8730	0.000	1	109.8730	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.4360	0.000	1	109.4360	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	109.4500	0.000	1	109.4500	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	H(OC[6])	109.5030	0.000	1	114.2930	45.888	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	H(OC[6])	119.0830	0.000	1	114.2930	45.888	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(OC[6])	109.4630	0.081	2	109.7954	12.714	5	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	H(OC[6])	110.0170	5.024	3	109.7954	12.714	5	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	H(OC[6])	106.0447	4.017	4	106.0447	16.135	4	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4785	0.001	2	109.4785	0.000	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[6])	109.4580	0.000	1	109.4580	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(OC[6])	109.4700	0.000	1	109.4620	0.001	6	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(OC[6])	109.4790	0.040	3	109.4620	0.001	6	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	H(OC[6])	109.4325	0.033	2	109.4620	0.001	6	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	H(OC[6])	104.3514	6.387	2	107.7557	36.623	4	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){3|C<3>,4|C<4>}	H(OC[6])	111.1600	4.766	2	107.7557	36.623	4	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H){1|N<4>,2|H<1>,3|C<3>}	H(OC[6])	109.4670	0.000	1	109.4670	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(OC[6])	109.4670	0.000	1	108.9042	1.377	10	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(OC[6])	108.3398	1.517	5	108.9042	1.377	10	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	H(OC[6])	109.5120	0.000	1	108.9042	1.377	10	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<4>,1|O<2>,2|C<4>,4|H<1>}	H(OC[6])	109.4170	0.000	1	108.9042	1.377	10	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(OC[6])	109.4770	0.000	1	108.9042	1.377	10	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(OC[6])	109.4700	0.000	1	108.9042	1.377	10	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(OC[6])	109.4650	0.000	1	109.4650	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4780	0.000	1	109.0832	3.091	8	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	H(OC[6])	104.9160	0.000	1	109.0832	3.091	8	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	H(OC[6])	109.4560	0.000	1	109.0832	3.091	8	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	H(OC[6])	109.4830	0.013	2	109.0832	3.091	8	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	H(OC[6])	110.1910	1.025	2	109.0832	3.091	8	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	109.4680	0.000	1	109.0832	3.091	8	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	H(OC[6])	109.4465	0.013	2	109.4465	0.000	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.4440	0.000	1	109.4440	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(OC[6])	109.4560	0.014	2	109.4560	0.000	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(OC[6])	106.6950	0.000	1	106.6950	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(OC[6])	130.9760	0.000	1	113.1103	50.540	94	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(OC[6])	112.9182	6.898	93	113.1103	50.540	94	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H){3|H<1>,5|C<4>}	H(OC[6])	109.4520	0.000	1	109.4520	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(OC[6])	109.5080	0.000	1	109.5080	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(OC[6])	107.8117	0.346	3	107.8117	0.119	3	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	H(OC[6])	109.4695	0.008	2	109.4695	0.000	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(OC[6])	109.4370	0.000	1	109.4370	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	H(OC[6])	109.5070	0.000	1	109.5070	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	H(OC[6])	107.7545	1.003	2	107.7545	1.007	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(OC[6])	109.4805	0.016	2	109.4805	0.000	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(OC[6])	107.6970	0.000	1	109.4340	6.034	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	H(OC[6])	111.1710	0.000	1	109.4340	6.034	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(OC[6])	108.2160	3.147	4	108.2265	22.290	15	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(OC[6])	109.4320	0.000	1	108.2265	22.290	15	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[6])	109.4648	0.026	4	108.2265	22.290	15	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	H(OC[6])	109.5440	0.000	1	108.2265	22.290	15	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	H(OC[6])	96.9538	0.000	1	108.2265	22.290	15	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,3|H<1>,4|C<4>}	H(OC[6])	118.6490	0.000	1	108.2265	22.290	15	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(OC[6])	102.7370	0.000	1	108.2265	22.290	15	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	107.6790	2.565	2	108.2265	22.290	15	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[6])	109.4640	0.000	1	109.4820	0.001	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.5000	0.000	1	109.4820	0.001	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(OC[6])	109.4330	0.000	1	108.0473	6.462	6	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(OC[6])	107.7702	2.739	5	108.0473	6.462	6	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(OC[6])	108.3824	1.931	7	108.3824	3.728	7	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(OC[6])	105.8937	4.452	8	108.0154	19.548	25	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	H(OC[6])	109.4713	0.083	3	108.0154	19.548	25	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(OC[6])	108.5072	5.830	9	108.0154	19.548	25	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	H(OC[6])	109.4540	0.000	1	108.0154	19.548	25	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	H(OC[6])	109.7840	0.495	3	108.0154	19.548	25	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){3|C<3>,5|C<4>}	H(OC[6])	109.4500	0.000	1	108.0154	19.548	25	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(OC[6])	112.0435	3.639	2	108.5120	34.583	4	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,6|C<4>}	H(OC[6])	109.4870	0.000	1	108.5120	34.583	4	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	H(OC[6])	100.4740	0.000	1	108.5120	34.583	4	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(OC[6])	115.7970	0.000	1	113.9330	6.949	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){3|H<1>,5|C<4>}	H(OC[6])	112.0690	0.000	1	113.9330	6.949	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(OC[6])	107.4290	0.000	1	106.9945	6.913	4	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	H(OC[6])	103.2780	0.000	1	106.9945	6.913	4	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[6])	107.8130	0.000	1	106.9945	6.913	4	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	H(OC[6])	109.4580	0.000	1	106.9945	6.913	4	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H){2|C<3>,5|C<4>}	H(OC[6])	109.4550	0.000	1	109.4550	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H){3|C<3>,4|C<4>}	H(OC[6])	109.4060	0.000	1	109.4060	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(OC[6])	101.7860	0.000	1	101.7860	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(OC[6])	102.7340	0.000	1	102.7340	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[6])	109.4300	0.000	1	109.4300	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(OC[6])	107.2790	0.000	1	107.2790	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(OC[6])	103.1970	0.000	1	109.4386	4.860	18	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(OC[6])	110.7944	2.892	5	109.4386	4.860	18	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4830	0.041	2	109.4386	4.860	18	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	H(OC[6])	109.1373	0.607	3	109.4386	4.860	18	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	H(OC[6])	109.4460	0.000	1	109.4386	4.860	18	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	109.4800	0.000	1	109.4386	4.860	18	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(OC[6])	109.5250	0.000	1	109.4386	4.860	18	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.4850	0.000	1	109.4386	4.860	18	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	H(OC[6])	109.4840	0.000	1	109.4386	4.860	18	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|H<1>,5|C<4>}	H(OC[6])	109.4460	0.000	1	109.4386	4.860	18	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	109.4820	0.000	1	109.4386	4.860	18	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(OC[6])	110.2495	4.113	2	110.2495	16.919	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(OC[6])	109.4450	0.033	2	109.4450	0.001	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,7|C<4>}	H(OC[6])	109.5300	0.000	1	109.4990	0.002	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){8|C<4>}	H(OC[6])	109.4680	0.000	1	109.4990	0.002	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]O)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]O)(OH)(H){1|H<1>,4|C<3>,4|C<4>}	H(OC[6])	108.9450	0.000	1	108.9450	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(OC[6])	109.4230	0.000	1	110.4204	9.872	11	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(OC[6])	116.4420	0.000	1	110.4204	9.872	11	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,7|C<4>}	H(OC[6])	109.4840	0.000	1	110.4204	9.872	11	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(OC[6])	111.7577	4.049	3	110.4204	9.872	11	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){8|C<4>}	H(OC[6])	108.8004	1.525	5	110.4204	9.872	11	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(OC[6])	109.4680	0.010	2	108.1770	11.594	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,7|C<4>}	H(OC[6])	106.0387	5.910	3	108.1770	11.594	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	H(OC[6])	109.5310	0.000	1	108.1770	11.594	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	H(OC[6])	108.7540	1.257	2	108.1770	11.594	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){3|C<3>,5|C<4>}	H(OC[6])	109.5020	0.000	1	108.1770	11.594	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(OC[6])	107.0545	3.427	2	107.8607	7.823	3	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(OC[6])	109.4730	0.000	1	107.8607	7.823	3	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4397	0.024	3	109.4706	0.001	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[6])	109.5140	0.000	1	109.4706	0.001	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4710	0.000	1	109.4706	0.001	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	H(OC[6])	109.4485	0.013	2	109.4706	0.001	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(OC[6])	109.5320	0.000	1	109.4706	0.001	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.5020	0.000	1	109.4706	0.001	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(OC[6])	107.0880	0.000	1	109.1627	0.631	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(OC[6])	109.4837	0.019	3	109.1627	0.631	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6])	109.4770	0.067	4	109.1627	0.631	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	109.0170	0.000	1	109.1627	0.631	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(OC[6])	109.0350	0.000	1	109.1900	1.381	7	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|H<1>}	H(OC[6])	106.8210	0.000	1	109.1900	1.381	7	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,7|C<4>}	H(OC[6])	109.4580	0.000	1	109.1900	1.381	7	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,6|H<1>}	H(OC[6])	109.4485	0.022	2	109.1900	1.381	7	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	110.0595	0.964	2	109.1900	1.381	7	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6])	111.0600	0.000	1	111.0600	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(OC[6])	109.4410	0.000	1	108.4633	18.827	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[6])	115.7740	0.000	1	108.4633	18.827	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(OC[6])	109.4150	0.000	1	108.4633	18.827	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(OC[6])	101.7250	0.000	2	108.4633	18.827	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(OC[6])	109.5380	0.000	1	108.4633	18.827	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	109.5173	0.084	3	108.4633	18.827	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(OC[6])	109.4460	0.000	1	109.4460	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	H(OC[6])	109.4770	0.000	1	109.4770	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4040	0.000	1	109.4040	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(OC[6])	104.8000	0.000	1	108.5388	4.369	5	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	H(OC[6])	109.4735	0.038	4	108.5388	4.369	5	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(OC[6])	109.4600	0.000	1	109.4685	0.000	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[6])	109.4770	0.000	1	109.4685	0.000	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(OC[6])	109.4920	0.000	1	109.4750	0.001	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(OC[6])	109.4580	0.000	1	109.4750	0.001	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	106.5685	0.803	2	106.5685	0.644	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(OC[6])	116.9455	10.592	2	112.0048	60.368	5	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(OC[6])	113.1950	0.000	1	112.0048	60.368	5	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6])	109.4490	0.000	1	112.0048	60.368	5	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	103.4890	0.000	1	112.0048	60.368	5	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	H(OC[6])	109.4875	0.022	2	108.7106	4.546	12	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[6])	109.4170	0.000	1	108.7106	4.546	12	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(OC[6])	107.6320	0.000	1	108.7106	4.546	12	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	H(OC[6])	108.4289	2.768	7	108.7106	4.546	12	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	H(OC[6])	109.5010	0.000	1	108.7106	4.546	12	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(OC[6])	108.3600	0.000	1	108.3600	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.4480	0.000	1	109.4480	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	H(OC[6])	109.4490	0.000	1	109.4490	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(OC[6])	109.4460	0.000	1	109.4460	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(OC[6])	109.4730	0.000	1	108.4375	8.141	8	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(OC[6])	110.4130	0.000	1	108.4375	8.141	8	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	H(OC[6])	107.9357	3.178	6	108.4375	8.141	8	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.4640	0.000	1	109.4640	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	106.8220	4.574	3	106.8220	20.925	3	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.4255	0.049	2	109.4255	0.002	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|C<3>,5|C<4>}	H(OC[6])	109.4950	0.000	1	109.4950	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6])	114.2245	3.961	2	112.6423	15.353	3	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	H(OC[6])	109.4780	0.000	1	112.6423	15.353	3	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OH)(H){1|Cl<1>,2|H<1>,3|C<3>}	H(OC[6])	109.4760	0.000	1	109.4760	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	H(OC[6])	109.4753	0.022	7	109.4753	0.001	7	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4890	0.000	1	109.4158	0.045	6	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(OC[6])	109.4773	0.051	3	109.4158	0.045	6	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.2870	0.414	2	109.4158	0.045	6	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H){1|H<1>,2|O<2>,3|C<4>}	H(OC[6])	109.4995	0.009	2	109.4995	0.000	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	109.4840	0.001	2	107.2190	20.053	7	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(OC[6])	97.6238	0.000	1	107.2190	20.053	7	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,4|H<1>}	H(OC[6])	109.4673	0.023	3	107.2190	20.053	7	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(OC[6])	105.5390	0.000	1	107.2190	20.053	7	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(OC[6])	98.0166	0.000	1	106.4233	14.955	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(OC[6])	107.4741	2.394	8	106.4233	14.955	9	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(OC[6])	105.5990	0.000	1	110.3502	9.945	32	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4570	0.004	2	110.3502	9.945	32	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(OC[6])	109.4720	0.047	2	110.3502	9.945	32	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6])	109.4657	0.028	3	110.3502	9.945	32	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(OC[6])	109.5020	0.096	2	110.3502	9.945	32	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	110.5770	0.000	1	110.3502	9.945	32	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	111.3945	4.445	14	110.3502	9.945	32	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(OC[6])	111.4630	0.363	2	110.3502	9.945	32	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4780	0.037	4	110.3502	9.945	32	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){6|C<4>}	H(OC[6])	109.4100	0.000	1	110.3502	9.945	32	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.5070	0.000	1	109.5020	0.000	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4970	0.000	1	109.5020	0.000	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(OC[6])	109.4808	0.020	4	109.4808	0.000	4	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.4945	0.042	2	109.4945	0.002	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	111.4550	0.000	1	111.4550	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4920	0.004	2	109.4920	0.000	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(OC[6])	106.9095	3.615	2	106.9095	13.071	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(OC[6])	109.4545	0.062	2	109.4545	0.004	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	H(OC[6])	106.2100	0.000	1	106.2100	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(OC[6])	109.4300	0.000	1	109.4300	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6])	102.1670	0.000	1	102.1670	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	H(OC[6])	109.4780	0.000	1	109.4780	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	101.9120	1.739	2	101.9120	3.026	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(OC[6])	109.4890	0.000	1	109.4890	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(OH)(H){1|C<4>,3|C<3>,4|H<1>}	H(OC[6])	109.4690	0.000	1	109.4690	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(OC[6])	109.4440	0.000	1	109.4440	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	H(OC[6])	109.4460	0.000	1	109.4460	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	H(OC[6])	108.0710	0.000	1	108.0710	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	H(OC[6])	109.4683	0.029	3	109.4580	0.001	5	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4425	0.050	2	109.4580	0.001	5	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,7|H<1>}	H(OC[6])	108.8800	0.000	1	109.2065	0.213	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(OC[6])	109.5330	0.000	1	109.2065	0.213	2	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,7|H<1>}	H(OC[6])	111.7820	0.000	1	111.7820	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(OC[6])	109.3110	0.000	1	109.3110	0.000	1	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4870	0.000	1	109.4430	0.002	3	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(OC[6])	109.4210	0.028	2	109.4430	0.002	3	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(OC[6])	121.3825	0.357	2	113.5337	37.027	6	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(OC[6])	109.4860	0.010	2	113.5337	37.027	6	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,3|H<1>}	H(OC[6])	109.9910	0.000	1	113.5337	37.027	6	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|F<1>,2|H<1>,3|C<4>}	H(OC[6])	109.4740	0.000	1	113.5337	37.027	6	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	H(OC[6])	108.6210	0.000	1	109.3607	0.107	7	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6,6]C[6]H)(H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	H(OC[6])	109.4840	0.033	6	109.3607	0.107	7	109.7740	20.300	501	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[3x6]-4:O-2:H-1:	O-2:	O(C[6]C[3x6]C[6]H)(H)	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H)	H(OC[6])	O(C[6]C[3x6]C[6]H)(H)	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(OC[6])	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.7040	0.000	1	109.7040	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	104.1250	0.000	1	104.1250	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	104.8190	0.000	1	104.8190	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>}	H(OC[6])	108.9540	0.000	1	108.9540	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H){1|H<1>,4|C<4>}	H(OC[6])	109.6020	0.000	1	109.6020	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	H(OC[6])	109.4500	0.000	1	109.4500	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	109.2160	0.366	2	109.2160	0.134	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.3405	3.458	2	109.3405	11.961	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	106.5732	8.771	3	106.5732	76.924	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	109.5730	0.000	1	109.5730	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	H(OC[6])	91.9708	0.000	1	91.9708	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	108.2090	0.000	1	108.2090	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	106.8598	2.820	4	106.8598	7.953	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,1|C<4>}	H(OC[6])	109.4800	0.000	1	109.4800	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	110.2226	2.823	5	110.2226	7.967	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(OC[6])	109.4250	0.000	1	109.4250	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	113.6960	0.000	1	111.5915	8.858	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	H(OC[6])	109.4870	0.000	1	111.5915	8.858	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	H(OC[6])	109.4670	0.000	1	109.4670	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	H(OC[6])	109.4480	0.000	1	109.4480	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H){1|H<1>,4|C<4>}	H(OC[6])	106.8580	0.000	1	106.8580	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H){5|C<4>}	H(OC[6])	109.4880	0.000	1	109.4880	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	H(OC[6])	105.3160	0.000	1	105.3160	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4945	0.025	2	109.4945	0.001	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(OC[6])	107.6220	0.000	1	107.6220	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(OC[6])	108.4140	0.000	1	108.4140	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.5090	0.000	1	109.8705	0.588	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	109.9910	0.891	3	109.8705	0.588	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(OC[6])	111.0800	0.000	1	110.0450	0.500	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	H(OC[6])	109.5557	0.111	3	110.0450	0.500	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){2|H<1>,3|C<4>}	H(OC[6])	110.4780	0.000	1	110.0450	0.500	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(OC[6])	74.1293	0.000	1	89.7172	485.962	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	H(OC[6])	105.3050	0.000	1	89.7172	485.962	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	109.5150	0.000	1	109.5150	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	107.5353	1.686	3	107.8483	2.287	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	108.7870	0.000	1	107.8483	2.287	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(OC[6])	109.4610	0.000	1	111.2631	15.780	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>}	H(OC[6])	109.4760	0.037	3	111.2631	15.780	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(OC[6])	116.8525	6.626	2	111.2631	15.780	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(OC[6])	110.9720	0.000	1	111.2631	15.780	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	109.4010	0.044	2	111.2631	15.780	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CH)2(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4570	0.000	1	109.4570	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4980	0.000	1	109.4980	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	104.3030	0.000	1	104.3030	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]FH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]FH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.5032	0.091	6	109.5032	0.008	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>}	H(OC[6])	109.4780	0.017	2	107.5170	12.505	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>}	H(OC[6])	106.5365	4.123	4	107.5170	12.505	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4315	0.006	2	109.4315	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.3870	0.000	1	107.1625	9.897	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	H(OC[6])	104.9380	0.000	1	107.1625	9.897	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H){2|C<3>,3|C<4>}	H(OC[6])	107.3280	0.000	1	107.3280	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	112.1630	0.000	1	108.8813	4.591	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.4615	0.043	4	108.8813	4.591	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(OC[6])	105.6950	4.240	2	108.8813	4.591	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<4>,3|C<4>}	H(OC[6])	108.2530	1.769	2	108.8813	4.591	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	H(OC[6])	109.2570	2.892	2	108.8813	4.591	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	108.3810	0.000	1	108.8813	4.591	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	109.4550	0.008	2	108.8813	4.591	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(OC[6])	109.5090	0.000	1	108.8813	4.591	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(OC[6])	109.4560	0.000	1	109.3912	0.482	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	H(OC[6])	109.4630	0.048	2	109.3912	0.482	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(OC[6])	109.4420	0.061	3	109.3912	0.482	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,3|C<3>}	H(OC[6])	110.5480	0.000	1	109.3912	0.482	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(OC[6])	107.8150	0.000	1	109.3912	0.482	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4500	0.000	1	109.3912	0.482	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	106.2870	0.000	1	106.2870	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)2(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(OC[6])	103.4410	0.000	1	103.4410	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4733	0.018	3	109.4733	0.000	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	105.4560	0.000	1	105.4560	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4720	0.000	1	109.4720	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	109.8345	5.325	2	109.7083	14.227	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	H(OC[6])	109.4560	0.000	1	109.7083	14.227	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.6080	0.000	1	109.6080	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4960	0.000	1	109.7430	1.924	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4800	0.000	1	109.7430	1.924	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	H(OC[6])	110.1395	2.678	2	109.7430	1.924	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(OC[6])	109.4600	0.000	1	109.7430	1.924	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	109.6827	0.331	3	108.5247	4.343	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(OC[6])	106.3195	2.621	2	108.5247	4.343	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>}	H(OC[6])	109.4610	0.000	1	108.5247	4.343	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	109.4440	0.059	2	109.3350	0.258	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|N<3>}	H(OC[6])	109.4380	0.000	1	109.3350	0.258	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4817	0.022	3	109.3350	0.258	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(OC[6])	107.7320	0.000	1	109.3350	0.258	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	109.4730	0.010	2	109.3350	0.258	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.5237	0.104	3	109.3350	0.258	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[6])	107.7250	0.000	3	108.0637	1.544	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	108.4023	1.875	3	108.0637	1.544	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	H(OC[6])	109.5050	0.000	1	110.6467	3.873	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	111.2175	2.406	2	110.6467	3.873	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(OC[6])	109.4410	0.029	3	109.4410	0.001	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,2|H<1>,4|C<4>}	H(OC[6])	109.4820	0.000	1	109.4820	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(OC[6])	109.4800	0.000	1	109.4745	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(OC[6])	109.4690	0.000	1	109.4745	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	109.4800	0.000	1	109.4800	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H){6|C<3>}	H(OC[6])	109.4730	0.000	1	109.4730	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|O<1>,2|C<3>}	H(OC[6])	109.4650	0.007	4	109.4650	0.000	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	110.5700	0.000	1	110.5700	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H){1|C<4>,3|C<3>}	H(OC[6])	104.3030	0.000	1	104.3030	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	109.4740	0.000	1	109.4740	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(OC[6])	109.1810	1.744	2	108.2723	3.997	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<1>,1|O<2>}	H(OC[6])	106.4550	0.000	1	108.2723	3.997	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(OC[6])	109.5120	0.000	1	109.5120	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]H)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]H)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(OC[6])	109.4590	0.000	1	109.4590	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	H(OC[6])	137.2495	30.546	2	137.2495	933.077	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(OC[6])	109.4850	0.016	2	109.4850	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	105.0550	0.000	1	105.0550	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	107.4875	2.869	2	109.0823	8.281	134	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.0900	0.525	2	109.0823	8.281	134	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	107.0337	4.226	3	109.0823	8.281	134	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	109.1557	2.871	127	109.0823	8.281	134	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	107.1479	5.959	15	107.1479	35.512	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4340	0.000	1	109.4340	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.8238	0.466	4	109.7646	0.180	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	109.5280	0.000	1	109.7646	0.180	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4680	0.000	1	108.5547	3.630	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(OC[6])	104.8470	1.191	2	108.5547	3.630	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	109.4598	0.023	6	108.5547	3.630	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(OC[6])	108.9120	1.562	3	108.5547	3.630	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4590	0.000	1	109.4590	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.8880	0.000	1	107.7521	12.564	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	100.6770	0.000	1	107.7521	12.564	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	107.6010	3.400	2	107.7521	12.564	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(OC[6])	109.4993	0.044	3	107.7521	12.564	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	H(OC[6])	109.5080	0.001	2	109.5080	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	107.3093	4.685	3	107.3093	21.946	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(OC[6])	109.4900	0.000	1	109.4745	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	109.4590	0.000	1	109.4745	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4350	0.015	4	109.4350	0.000	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	H(OC[6])	105.3950	0.000	1	105.3950	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.5180	0.000	1	109.4520	0.003	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4190	0.011	2	109.4520	0.003	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	H(OC[6])	109.5330	0.000	1	109.5330	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	108.3015	1.606	2	109.1210	0.744	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4488	0.039	5	109.1210	0.744	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.4177	2.456	3	109.9445	25.889	226	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.2533	4.457	58	109.9445	25.889	226	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.4980	0.000	1	109.9445	25.889	226	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	H(OC[6])	109.4530	0.000	1	109.9445	25.889	226	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	H(OC[6])	109.4660	0.000	1	109.9445	25.889	226	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	H(OC[6])	106.5550	0.000	1	109.9445	25.889	226	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	109.4820	0.000	1	109.9445	25.889	226	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	H(OC[6])	107.7683	2.994	3	109.9445	25.889	226	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	H(OC[6])	109.4230	0.000	1	109.9445	25.889	226	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	111.1604	4.404	8	109.9445	25.889	226	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	110.2636	5.554	145	109.9445	25.889	226	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){5|C<4>}	H(OC[6])	109.2757	1.080	3	109.9445	25.889	226	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	113.1940	6.418	3	109.9281	5.317	33	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.5840	0.197	2	109.9281	5.317	33	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	111.4180	0.000	1	109.9281	5.317	33	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4740	0.016	6	109.9281	5.317	33	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	109.4980	0.000	1	109.9281	5.317	33	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	H(OC[6])	108.5498	2.111	5	109.9281	5.317	33	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	H(OC[6])	109.8911	1.323	15	109.9281	5.317	33	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,2|C<3>}	H(OC[6])	107.9695	0.029	2	107.9695	0.001	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>}	H(OC[6])	103.7550	0.000	1	107.0660	8.784	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	108.7215	1.060	2	107.0660	8.784	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.4960	0.000	1	109.4960	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	H(OC[6])	109.4480	0.000	1	109.4480	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4940	0.000	1	109.4940	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4220	0.000	1	109.4220	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.1540	0.000	1	109.1540	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	109.4850	0.027	2	109.4850	0.001	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(OC[6])	108.3840	0.000	1	109.2160	0.310	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.4800	0.000	1	109.2160	0.310	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	109.5000	0.075	2	109.2160	0.310	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(OC[6])	109.5200	0.000	1	109.0798	4.567	13	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.4360	0.000	1	109.0798	4.567	13	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	111.0050	0.000	1	109.0798	4.567	13	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	113.2610	0.000	1	109.0798	4.567	13	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(OC[6])	107.5770	0.000	1	109.0798	4.567	13	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	105.2390	0.000	1	109.0798	4.567	13	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.5040	0.000	1	109.0798	4.567	13	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	H(OC[6])	109.5055	0.019	2	109.0798	4.567	13	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	108.3710	2.139	4	109.0798	4.567	13	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	119.0840	0.000	1	114.2495	46.745	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(OC[6])	109.4150	0.000	1	114.2495	46.745	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	H(OC[6])	107.6187	1.809	6	109.3680	4.220	18	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	H(OC[6])	113.5735	0.588	2	109.3680	4.220	18	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	109.8013	0.562	3	109.3680	4.220	18	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	109.4801	0.029	7	109.3680	4.220	18	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H){4|C<4>}	H(OC[6])	109.4550	0.000	1	109.4550	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(OC[6])	109.4610	0.000	1	109.0005	7.796	13	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	108.9621	2.913	12	109.0005	7.796	13	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4300	0.051	2	109.4300	0.003	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	108.9047	2.351	3	108.9047	5.528	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4430	0.000	1	109.4430	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	H(OC[6])	109.4850	0.000	1	109.4850	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	109.4670	0.000	1	109.4670	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	104.2380	0.000	1	104.2380	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|H<1>,2|C<3>}	H(OC[6])	108.8840	0.000	1	109.1725	0.166	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|S<4>,2|C<3>}	H(OC[6])	109.4610	0.000	1	109.1725	0.166	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	109.4990	0.000	1	109.4990	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	109.4570	0.000	1	109.4570	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H){4|C<3>}	H(OC[6])	109.5130	0.000	1	109.5130	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	102.3260	0.000	1	102.3260	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	109.4620	0.000	1	109.4620	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	H(OC[6])	109.4563	0.031	3	109.4563	0.001	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	109.4650	0.000	1	109.4650	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	109.1330	7.396	2	109.1330	54.706	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	109.1862	0.882	15	109.1862	0.777	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	110.7220	2.158	3	110.7220	4.656	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	H(OC[6])	109.4873	0.021	3	109.4873	0.000	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	H(OC[6])	106.9690	1.928	2	106.9690	3.716	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	H(OC[6])	111.1050	2.314	2	111.1050	5.353	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H){3|C<3>}	H(OC[6])	108.2340	0.000	1	108.2340	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(OC[6])	109.5007	0.055	3	109.5007	0.003	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	H(OC[6])	109.5070	0.048	4	109.4951	0.002	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	109.4793	0.050	3	109.4951	0.002	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	H(OC[6])	109.5050	0.000	1	109.5010	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(OC[6])	109.4970	0.000	1	109.5010	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4510	0.000	1	109.4510	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	106.3090	0.000	1	107.8860	4.974	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|O<1>,1|O<2>,2|H<1>}	H(OC[6])	109.4630	0.000	1	107.8860	4.974	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|B<3>,1|C<4>,3|H<1>}	H(OC[6])	106.3450	0.000	1	109.0889	1.077	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	H(OC[6])	109.4510	0.000	1	109.0889	1.077	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4958	0.067	4	109.0889	1.077	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.1120	0.000	1	109.0889	1.077	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	H(OC[6])	109.4545	0.128	2	109.0889	1.077	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	H(OC[6])	109.5140	0.000	1	107.0147	21.634	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<1>,2|H<1>}	H(OC[6])	109.4790	0.014	2	107.0147	21.634	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	H(OC[6])	103.3007	6.369	2	107.0147	21.634	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]S[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[6])	109.4800	0.000	1	109.4800	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CC)2(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	108.8670	0.000	1	108.8670	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	110.8605	2.592	2	110.1668	2.880	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4730	0.004	2	110.1668	2.880	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	H(OC[6])	109.4650	0.000	1	109.4650	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(OC[6])	109.4560	0.025	2	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(OC[6])	106.7440	0.000	1	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	107.7970	3.596	4	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	107.2020	0.000	1	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	H(OC[6])	109.4775	0.042	2	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	H(OC[6])	109.4580	0.000	1	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<2>,3|H<1>}	H(OC[6])	109.4840	0.000	1	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	108.3886	2.333	5	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	109.4463	0.039	4	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	H(OC[6])	109.4750	0.000	1	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	109.3960	0.000	1	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	H(OC[6])	109.3798	1.196	4	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4950	0.000	1	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|S<2>,4|H<1>}	H(OC[6])	109.4920	0.000	1	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	105.8000	0.000	1	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	107.3906	2.323	12	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	H(OC[6])	107.8840	0.000	1	108.3586	4.015	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	110.3850	0.000	1	110.3850	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(OC[6])	109.4470	0.000	1	108.3930	6.090	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.4725	0.006	2	108.3930	6.090	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.4410	0.000	1	108.3930	6.090	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4730	0.000	1	108.3930	6.090	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.4110	0.000	1	108.3930	6.090	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	106.3350	2.823	6	108.3930	6.090	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|O<1>}	H(OC[6])	109.5040	0.000	1	108.3930	6.090	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	110.8320	0.363	2	108.3930	6.090	15	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.6333	0.253	3	109.2410	2.457	21	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(OC[6])	108.9290	0.000	1	109.2410	2.457	21	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[6])	109.2595	1.634	6	109.2410	2.457	21	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4325	0.005	2	109.2410	2.457	21	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	109.4275	0.053	2	109.2410	2.457	21	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	105.1820	0.000	1	109.2410	2.457	21	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	H(OC[6])	109.4810	0.000	1	109.2410	2.457	21	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|N<3>,4|H<1>}	H(OC[6])	108.1823	0.308	3	109.2410	2.457	21	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)2(OH)(H){1|O<2>,2|C<3>,2|H<1>}	H(OC[6])	111.8725	1.005	2	109.2410	2.457	21	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	109.5140	0.014	2	109.7593	0.181	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<4>}	H(OC[6])	110.2500	0.000	1	109.7593	0.181	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	112.9840	0.000	1	112.9840	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	110.8897	1.243	3	110.8897	1.545	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	107.3797	4.114	3	107.3108	86.654	10	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	102.6860	0.000	1	107.3108	86.654	10	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	108.1297	15.504	4	107.3108	86.654	10	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	107.8820	0.437	2	107.3108	86.654	10	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	112.7620	0.000	1	112.7620	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	H(OC[6])	109.4733	0.038	3	108.8291	6.115	18	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(OC[6])	109.8975	4.755	2	108.8291	6.115	18	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4607	0.013	3	108.8291	6.115	18	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	109.5870	0.000	1	108.8291	6.115	18	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>}	H(OC[6])	110.2900	0.000	1	108.8291	6.115	18	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	109.4890	0.000	1	108.8291	6.115	18	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	108.3125	2.789	6	108.8291	6.115	18	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	H(OC[6])	103.0850	0.000	1	108.8291	6.115	18	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HW)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HW)(OH)(H){1|C<3>,3|H<1>}	H(OC[6])	109.1175	0.537	2	109.1175	0.288	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>}	H(OC[6])	107.5890	0.000	1	108.9998	0.885	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(OC[6])	109.4700	0.027	3	108.9998	0.885	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)2(OH)(H){2|O<2>,3|H<1>}	H(OC[6])	106.3730	0.000	1	106.3730	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.4730	0.000	1	109.4700	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	H(OC[6])	109.4670	0.000	1	109.4700	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	108.8080	0.000	1	108.8080	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	109.4880	0.000	1	109.4880	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	H(OC[6])	109.4340	0.000	1	109.4635	0.001	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,3|H<1>}	H(OC[6])	109.4720	0.000	1	109.4635	0.001	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	109.4740	0.027	2	109.4635	0.001	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4613	0.333	3	109.4603	0.074	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	109.4570	0.000	1	109.4603	0.074	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	103.8805	0.156	2	107.6736	17.917	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4580	0.000	1	107.6736	17.917	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	H(OC[6])	113.9550	0.000	1	107.6736	17.917	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	107.1940	0.000	1	107.6736	17.917	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H){1|C<4>,2|F<1>}	H(OC[6])	103.5300	0.000	1	103.5300	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	H(OC[6])	108.3174	2.563	5	108.3174	6.571	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	H(OC[6])	97.5204	23.675	2	103.4927	234.391	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	H(OC[6])	109.4650	0.030	2	103.4927	234.391	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	109.1421	4.158	9	109.1421	17.287	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	H(OC[6])	109.4630	0.000	1	109.4538	0.000	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4515	0.014	4	109.4538	0.000	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4630	0.020	2	109.4630	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	105.5090	0.000	1	105.5090	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	H(OC[6])	105.4530	0.000	1	106.6475	2.854	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	107.8420	0.000	1	106.6475	2.854	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FH)2(OH)(H){1|C<4>,2|F<1>,2|H<1>}	H(OC[6])	109.3982	1.351	5	109.3982	1.826	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OH)(H){1|C<4>,2|H<1>}	H(OC[6])	109.4880	0.000	1	109.4880	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H){1|N<3>,4|H<1>}	H(OC[6])	110.2845	0.928	2	110.2845	0.862	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(OC[6])	109.4380	0.000	1	108.6889	10.287	21	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,3|H<1>}	H(OC[6])	107.2663	1.396	3	108.6889	10.287	21	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	H(OC[6])	109.0095	0.418	2	108.6889	10.287	21	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	108.1855	5.698	6	108.6889	10.287	21	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	109.3442	1.841	9	108.6889	10.287	21	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(OC[6])	109.6103	2.346	6	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.4730	0.000	2	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|I<1>,1|O<1>}	H(OC[6])	109.4270	0.000	1	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(OC[6])	109.4520	0.000	1	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,2|O<2>}	H(OC[6])	108.0280	0.000	1	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	H(OC[6])	112.9850	0.000	2	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(OC[6])	109.4370	0.000	1	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	107.7719	3.338	8	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	H(OC[6])	109.1980	0.570	2	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.4686	0.015	5	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	H(OC[6])	110.1920	0.000	1	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	108.2966	2.777	5	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	109.2527	1.359	22	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	109.4720	0.000	1	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	H(OC[6])	109.4720	0.030	3	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	H(OC[6])	111.4938	4.803	5	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,4|C<4>}	H(OC[6])	100.0690	0.000	1	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>}	H(OC[6])	107.3110	0.000	1	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.8395	0.527	2	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	109.7855	0.441	2	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	108.6605	3.033	6	109.1797	6.288	78	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	109.4965	0.016	2	109.4965	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	H(OC[6])	114.3940	0.000	1	114.3940	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.7110	0.000	1	109.4494	0.042	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	H(OC[6])	109.2675	0.334	2	109.4494	0.042	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|H<1>,1|S<4>,2|C<4>}	H(OC[6])	109.4735	0.032	2	109.4494	0.042	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|N<2>,2|C<3>}	H(OC[6])	109.4460	0.000	1	109.4494	0.042	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	109.5070	0.000	1	109.4494	0.042	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4560	0.000	1	109.4692	0.000	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	H(OC[6])	109.4710	0.000	1	109.4692	0.000	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<4>,1|S<4>,2|H<1>}	H(OC[6])	109.4795	0.025	2	109.4692	0.000	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|O<2>,1|S<4>,2|C<4>}	H(OC[6])	109.4600	0.000	1	109.4692	0.000	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4715	0.040	2	109.4715	0.002	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4940	0.000	1	109.4940	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|C<4>,2|H<1>}	H(OC[6])	107.2020	3.173	2	109.1310	1.462	14	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|H<1>,2|C<4>}	H(OC[6])	109.4525	0.151	12	109.1310	1.462	14	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	108.7643	1.215	3	108.6306	3.481	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(OC[6])	109.4712	0.016	4	108.6306	3.481	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|H<1>,2|C<4>}	H(OC[6])	106.7485	3.864	2	108.6306	3.481	9	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	H(OC[6])	106.4125	0.062	2	106.4125	0.004	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.2620	0.262	2	109.2620	0.068	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[6])	109.4830	0.008	2	109.4887	0.000	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(OC[6])	109.5000	0.000	1	109.4887	0.000	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(OC[6])	109.8033	1.280	3	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(OC[6])	108.0350	1.954	2	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(OC[6])	109.4870	0.000	1	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.4702	0.008	5	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(OC[6])	109.5190	0.000	2	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|O<2>,3|H<1>}	H(OC[6])	109.4690	0.000	1	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(OC[6])	116.4565	9.845	2	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[6])	109.4635	0.013	6	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<1>,2|H<1>}	H(OC[6])	107.8173	0.788	4	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	108.2050	1.760	4	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,2|H<1>,2|N<3>}	H(OC[6])	110.2960	0.000	1	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,2|H<1>,2|N<4>}	H(OC[6])	108.5457	1.639	3	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	108.5938	2.960	27	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|H<1>,4|C<4>}	H(OC[6])	110.1715	0.984	2	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	H(OC[6])	106.4326	1.711	5	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|C<4>}	H(OC[6])	105.4100	0.000	1	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|H<1>}	H(OC[6])	108.6432	2.637	16	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,2|C<3>,2|H<1>}	H(OC[6])	107.9175	0.209	2	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,4|C<4>}	H(OC[6])	110.1270	4.608	4	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,4|H<1>}	H(OC[6])	109.2398	1.979	6	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){1|O<2>,2|C<3>,2|H<1>}	H(OC[6])	106.8402	2.486	4	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	108.5277	2.211	10	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){2|C<4>,3|H<1>}	H(OC[6])	108.3167	0.973	3	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(OH)(H){2|H<1>,3|C<4>}	H(OC[6])	109.4440	0.000	1	108.7617	7.200	115	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	109.4335	0.019	2	109.4335	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(OC[6])	109.0580	0.625	4	108.0365	6.782	44	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	108.1565	7.622	2	108.0365	6.782	44	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(OC[6])	109.4460	0.000	1	108.0365	6.782	44	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	106.9994	2.232	16	108.0365	6.782	44	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	108.5975	2.533	14	108.0365	6.782	44	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	108.2975	2.964	6	108.0365	6.782	44	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4720	0.000	1	108.0365	6.782	44	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	110.8785	4.252	2	110.8785	18.078	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4827	0.026	3	108.9275	2.396	8	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(OC[6])	108.5944	1.955	5	108.9275	2.396	8	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4937	0.028	3	109.4883	0.001	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,2|H<1>}	H(OC[6])	109.4830	0.027	3	109.4883	0.001	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.4460	0.000	1	107.5507	2.589	10	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	107.3401	1.554	9	107.5507	2.589	10	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	93.8258	0.000	1	105.7721	51.500	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	106.8205	3.477	2	105.7721	51.500	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	108.2810	11.141	2	105.7721	51.500	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.5320	0.000	1	105.7721	51.500	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	H(OC[6])	106.8440	0.000	1	105.7721	51.500	7	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<3>,3|C<4>}	H(OC[6])	109.4675	0.019	2	107.9418	5.244	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(OC[6])	109.4530	0.000	1	107.9418	5.244	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	108.6220	0.000	1	107.9418	5.244	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,2|F<1>}	H(OC[6])	105.5115	1.025	2	107.9418	5.244	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	107.9140	2.266	2	107.9418	5.244	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	107.8602	3.279	4	107.9418	5.244	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	H(OC[6])	114.5230	0.000	1	109.4952	9.430	246	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(OC[6])	110.1664	1.422	17	109.4952	9.430	246	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	H(OC[6])	107.8005	2.331	2	109.4952	9.430	246	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	H(OC[6])	108.4760	1.998	4	109.4952	9.430	246	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4699	3.203	216	109.4952	9.430	246	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<3>}	H(OC[6])	109.4655	0.012	2	109.4952	9.430	246	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	H(OC[6])	108.6322	1.676	4	109.4952	9.430	246	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	107.9141	3.099	17	107.9141	9.605	17	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	100.0220	0.000	1	100.0220	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	H(OC[6])	106.8900	0.000	1	108.6250	10.873	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	108.9969	2.549	33	108.6250	10.873	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	H(OC[6])	108.7983	2.495	7	108.6250	10.873	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){3|C<4>}	H(OC[6])	102.7487	11.601	2	108.6250	10.873	43	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	108.7067	2.246	12	108.7067	5.044	12	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	H(OC[6])	109.4590	0.000	1	109.2504	8.585	254	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	H(OC[6])	109.4130	0.000	1	109.2504	8.585	254	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	H(OC[6])	108.8073	1.153	3	109.2504	8.585	254	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.2559	2.977	244	109.2504	8.585	254	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	H(OC[6])	109.4590	0.000	1	109.2504	8.585	254	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	H(OC[6])	110.1353	0.920	3	109.2504	8.585	254	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|O<2>,2|C<4>}	H(OC[6])	106.0110	0.000	1	109.2504	8.585	254	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.8939	4.856	13	109.8939	23.578	13	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	108.3175	1.603	2	108.3175	2.570	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4540	0.014	2	109.4540	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	H(OC[6])	110.0875	2.080	2	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	108.5587	1.650	3	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<1>}	H(OC[6])	103.5420	0.000	1	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.4930	0.021	2	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|F<1>,1|O<2>,2|H<1>}	H(OC[6])	110.3410	0.000	1	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	H(OC[6])	110.8880	1.618	2	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|N<2>,3|H<1>}	H(OC[6])	106.7310	0.000	1	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(OC[6])	107.6170	0.041	2	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(OC[6])	108.9708	1.696	6	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	H(OC[6])	105.7607	5.668	9	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(OC[6])	109.4617	0.020	3	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[6])	106.1180	3.000	6	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	H(OC[6])	109.4580	0.000	1	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	H(OC[6])	109.5105	0.055	4	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(OC[6])	109.1775	1.194	15	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	105.2001	5.183	4	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<4>,3|H<1>}	H(OC[6])	108.8630	0.683	2	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(OC[6])	109.4277	0.106	10	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	H(OC[6])	109.4925	0.011	2	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.5300	0.000	1	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.4688	0.014	4	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|S<2>,3|H<1>}	H(OC[6])	111.7970	3.247	2	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|N<4>}	H(OC[6])	107.4193	1.321	3	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.2674	3.044	290	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,4|H<1>}	H(OC[6])	107.1317	4.032	3	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	110.2807	2.094	3	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<3>}	H(OC[6])	106.6230	0.000	1	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(OC[6])	109.4670	0.013	3	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|N<3>,1|O<2>,3|H<1>}	H(OC[6])	103.0710	0.000	1	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|N<4>,2|C<4>,2|H<1>}	H(OC[6])	109.5170	0.000	1	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,1|S<2>,3|H<1>}	H(OC[6])	113.1470	0.000	1	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4840	0.000	1	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	H(OC[6])	108.5626	2.155	11	109.0465	8.970	401	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>}	H(OC[6])	109.5005	0.009	2	105.3825	26.725	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	H(OC[6])	101.2645	3.514	2	105.3825	26.725	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(OC[6])	105.4790	8.503	4	105.4790	72.308	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[6])	109.5180	0.000	1	109.2348	0.070	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,1|W<7>,3|C<4>}	H(OC[6])	109.0090	0.000	2	109.2348	0.070	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	H(OC[6])	109.4030	0.000	1	109.2348	0.070	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.5060	0.058	2	109.5060	0.003	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H){1|H<1>,3|C<4>}	H(OC[6])	96.0854	0.000	1	96.0854	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	94.1950	0.000	1	94.1950	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|C<4>,3|H<1>}	H(OC[6])	109.4680	0.000	1	109.4680	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H){2|H<1>,4|C<3>}	H(OC[6])	108.8480	0.000	1	108.8480	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	H(OC[6])	105.6750	0.000	1	105.6750	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(OC[6])	109.4530	0.000	1	109.4530	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(OC[6])	103.2170	0.000	1	106.6565	23.660	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	H(OC[6])	110.0960	0.000	1	106.6565	23.660	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(OC[6])	109.5050	0.000	1	110.0227	2.027	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(OC[6])	109.4260	0.043	4	110.0227	2.027	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	H(OC[6])	112.9270	0.000	1	110.0227	2.027	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	H(OC[6])	109.4960	0.000	1	109.4855	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	H(OC[6])	109.4750	0.000	1	109.4855	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(OC[6])	107.9025	0.986	2	107.9025	0.973	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	H(OC[6])	81.9635	0.000	1	81.9635	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(OC[6])	109.5050	0.000	1	109.5050	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H){4|C<3>}	H(OC[6])	109.5607	0.138	4	109.5607	0.019	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	107.4633	1.931	3	107.5585	2.522	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(OC[6])	107.8440	0.000	1	107.5585	2.522	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H){4|C<3>}	H(OC[6])	109.4260	0.000	1	109.4260	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	108.4480	0.000	1	108.4480	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	105.6830	0.000	1	105.6830	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.4630	0.000	1	109.4630	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){1|C<3>,1|N<2>}	H(OC[6])	103.2060	1.089	2	105.9458	9.220	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	H(OC[6])	107.7723	2.310	3	105.9458	9.220	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	109.4860	0.000	1	109.4860	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	109.4870	0.000	1	109.4870	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	H(OC[6])	109.4725	0.005	2	109.4725	0.000	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(OC[6])	111.5855	0.622	2	111.5855	0.386	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H){2|C<3>}	H(OC[6])	109.4410	0.000	1	109.4410	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H){4|C<3>}	H(OC[6])	98.7845	4.960	2	98.7845	24.604	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(OC[6])	110.2430	0.000	1	110.2430	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	H(OC[6])	109.4450	0.000	1	109.4450	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(OC[6])	109.4880	0.028	2	109.4880	0.001	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(OC[6])	109.4682	0.048	5	109.4675	0.002	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	109.4640	0.000	1	109.4675	0.002	6	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){1|H<1>,2|C<3>}	H(OC[6])	108.9415	4.289	2	105.6400	41.895	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){2|C<3>}	H(OC[6])	99.0371	0.000	1	105.6400	41.895	3	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	111.1980	9.914	2	110.3347	33.754	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.4715	0.009	2	110.3347	33.754	4	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	H(OC[6])	105.0620	0.000	1	105.0620	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[6]CC)(C[6]S[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[6]CC)(C[6]S[6]HH)(OH)(H){1|C<4>,1|S<4>}	H(OC[6])	109.4880	0.000	1	109.4880	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]N[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]N[6]HH)2(OH)(H){1|C<3>,2|H<1>}	H(OC[6])	109.4521	0.031	17	109.4521	0.001	17	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	H(OC[6])	110.4425	1.367	2	110.4425	1.868	2	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]CH)2(OH)(H){1|C<4>}	H(OC[6])	113.0130	0.000	1	113.0130	0.000	1	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]HH)2(OH)(H){1|C<3>}	H(OC[6])	107.8290	0.188	2	108.4590	0.890	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]HH)2(OH)(H)	H(OC[6])	O(C[6]C[6]2H)(H)	C[6](C[6]O[6]HH)2(OH)(H){1|C<4>}	H(OC[6])	108.8790	1.049	3	108.4590	0.890	5	109.0512	12.538	2404	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	C[6]-4:P[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]P[6]H)(H)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H)	H(OC[6])	O(C[6]C[6]P[6]H)(H)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	111.0930	2.297	2	111.0930	5.275	2	111.0930	5.275	2	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:1:	2:	C[6]-4:H-1:	P[6]-4:C[6]-4:O-2:H-1:	O-2:	O(C[6]C[6]P[6]H)(H)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H)	H(OC[6])	O(C[6]C[6]P[6]H)(H)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H){1|C<4>,2|H<1>,6|C<3>}	H(OC[6])	93.2487	0.000	1	93.2487	0.000	1	93.2487	0.000	1	109.1535	13.827	3491	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[3]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6]C[3]C[6]O[6])(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)(O[6]O[6])(OH)	H(OC[6])	O(C[6]C[3]C[6]O[6])(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)(O[6]O[6])(OH){1|O<2>,2|C<4>,4|H<1>}	H(OC[6])	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:O-2:	O-2:	O(C[6]C[5,6]C[6]O)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]O)(H)	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>}	H(OC[6])	109.4370	0.000	1	109.4370	0.000	1	107.3287	10.306	3	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O-2:O-2:	O-2:	O(C[6]C[5,6]C[6]O)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2	H(OC[6])	O(C[6]C[5,6]C[6]O)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2{1|H<1>,1|N<3>,2|C<4>}	H(OC[6])	106.2745	3.734	2	106.2745	13.944	2	107.3287	10.306	3	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[6]-2:O-2:	O-2:	O(C[6]C[5,6]C[6]O[6])(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HO)(O[6]C[6])(OH)	H(OC[6])	O(C[6]C[5,6]C[6]O[6])(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HO)(O[6]C[6])(OH){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(OC[6])	106.3560	0.000	1	106.3560	0.000	1	106.3560	0.000	1	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[5]-4:O[6]-2:O-2:	O-2:	O(C[6]C[5]C[6]O[6])(H)	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH)	H(OC[6])	O(C[6]C[5]C[6]O[6])(H)	C[6](C[6]C[6,6]HH)(C[5]C[5]2H)(O[6]C[6])(OH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(OC[6])	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC)(OH){2|C<4>,3|H<1>}	H(OC[6])	112.5100	4.096	2	112.5100	16.774	2	109.7095	16.159	46	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CC)(OH){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4655	0.071	2	109.4655	0.005	2	109.7095	16.159	46	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CN)(OH){2|C<4>,3|H<1>}	H(OC[6])	110.4950	2.551	2	110.4950	6.509	2	109.7095	16.159	46	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC)(OH){2|H<1>,3|C<4>}	H(OC[6])	107.1770	0.000	1	107.1770	0.000	1	109.7095	16.159	46	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CC)(OH){1|C<4>,4|H<1>}	H(OC[6])	106.1138	1.111	4	106.1138	1.233	4	109.7095	16.159	46	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC)(OH){1|C<4>,4|H<1>}	H(OC[6])	107.9548	3.632	4	107.9548	13.193	4	109.7095	16.159	46	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC)(OH){1|C<4>,4|H<1>}	H(OC[6])	105.8443	5.763	3	105.8443	33.208	3	109.7095	16.159	46	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC)(OH){1|C<3>,4|H<1>}	H(OC[6])	105.3280	0.000	1	110.7858	16.559	27	109.7095	16.159	46	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC)(OH){1|C<4>,4|H<1>}	H(OC[6])	110.9957	3.998	26	110.7858	16.559	27	109.7095	16.159	46	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-2:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC)(OH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(OC[6])	109.4950	0.000	1	109.4950	0.000	1	109.7095	16.159	46	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	O-2:	O(C[6]C[6]2O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH)	H(OC[6])	O(C[6]C[6]2O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH){1|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4680	0.008	2	109.4680	0.000	2	111.8164	114.278	19	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	O-2:	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]FF)2(OH)2	H(OC[6])	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]FF)2(OH)2{1|C<4>,4|F<1>}	H(OC[6])	109.4647	0.012	4	109.4647	0.000	4	111.8164	114.278	19	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	O-2:	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]OO)2(OH)2	H(OC[6])	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]OO)2(OH)2{1|C<4>,4|O<2>}	H(OC[6])	109.4732	0.016	5	109.4732	0.000	5	111.8164	114.278	19	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	O-2:	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]FF)(OH)2	H(OC[6])	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]FF)(OH)2{1|C<3>,1|H<1>,3|C<4>}	H(OC[6])	120.1347	23.213	4	120.1347	538.855	4	111.8164	114.278	19	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	O-2:	O(C[6]C[6]2O)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]FF)(OH)2	H(OC[6])	O(C[6]C[6]2O)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]FF)(OH)2{1|C<4>,3|C<3>}	H(OC[6])	110.1305	0.834	2	110.1305	0.695	2	111.8164	114.278	19	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:2:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:O-2:O-2:	O-2:	O(C[6]C[6]2O)(H)	C[6](C[6]N[6]HH)2(OH)2	H(OC[6])	O(C[6]C[6]2O)(H)	C[6](C[6]N[6]HH)2(OH)2{1|C<4>,2|C<3>}	H(OC[6])	109.7750	9.399	2	109.7750	88.339	2	111.8164	114.278	19	110.0959	41.575	71	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6]C[3,6]C[6]2)(H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(OH)	H(OC[6])	O(C[6]C[3,6]C[6]2)(H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>,6|H<1>}	H(OC[6])	108.8160	0.000	1	108.8160	0.000	1	111.2040	7.755	3	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6]C[3,6]C[6]2)(H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]I)(OH)	H(OC[6])	O(C[6]C[3,6]C[6]2)(H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)(C[6]C[6]I)(OH){1|O<1>,3|C<4>,6|H<1>}	H(OC[6])	112.3980	2.638	2	112.3980	6.956	2	111.2040	7.755	3	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[3]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6]C[3]C[6]2)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[6,6]CH)(C[6]C[6]C)(OH)	H(OC[6])	O(C[6]C[3]C[6]2)(H)	C[6](C[3]C[3]O[3]C)(C[6]C[6,6]CH)(C[6]C[6]C)(OH){3|C<4>,3|H<1>}	H(OC[6])	109.4797	0.013	3	109.4797	0.000	3	109.4797	0.000	3	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH){2|C<4>,2|O<2>,4|H<1>}	H(OC[6])	109.4790	0.000	1	109.4790	0.000	1	108.9659	1.703	20	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH){2|C<3>,5|C<4>}	H(OC[6])	109.4380	0.000	1	109.4380	0.000	1	108.9659	1.703	20	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH){2|C<3>,5|C<4>}	H(OC[6])	109.4510	0.000	1	109.4795	0.002	2	108.9659	1.703	20	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH){3|C<3>,4|C<4>}	H(OC[6])	109.5080	0.000	1	109.4795	0.002	2	108.9659	1.703	20	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){2|C<3>,5|C<4>}	H(OC[6])	109.4778	0.041	4	108.3279	4.015	7	108.9659	1.703	20	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){3|C<3>,4|C<4>}	H(OC[6])	106.7947	2.423	3	108.3279	4.015	7	108.9659	1.703	20	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(OH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(OC[6])	109.3980	0.000	1	109.3980	0.000	1	108.9659	1.703	20	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH){1|N<3>,1|O<1>,6|C<3>}	H(OC[6])	109.4748	0.067	4	109.4748	0.004	4	108.9659	1.703	20	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4220	0.000	2	109.4220	0.000	2	108.9659	1.703	20	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(OC[6])	108.5025	1.521	2	108.5025	2.313	2	108.9659	1.703	20	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6]C[5,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	H(OC[6])	105.2200	0.000	1	105.2200	0.000	1	105.2200	0.000	1	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	O-2:	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH)	H(OC[6])	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,6|H<1>}	H(OC[6])	109.4540	0.004	2	109.4540	0.000	2	109.4540	0.000	2	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)(C[6]C[6]H)(OH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(OC[6])	109.4940	0.000	1	109.4940	0.000	1	108.0425	4.214	2	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-3:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]O[5]H)(C[6]B[5]C[6]H)(C[6]C[6]O)(OH){2|C<4>,3|O<2>,6|H<1>}	H(OC[6])	106.5910	0.000	1	106.5910	0.000	1	108.0425	4.214	2	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH){1|O<2>,2|C<4>,5|H<1>}	H(OC[6])	109.4550	0.000	1	109.4550	0.000	1	110.0116	0.734	5	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(OC[6])	109.8350	0.530	2	109.7233	0.178	3	110.0116	0.734	5	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH){1|C<3>,3|C<4>,4|H<1>}	H(OC[6])	109.5000	0.000	1	109.7233	0.178	3	110.0116	0.734	5	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(OH){1|C<3>,3|C<4>,6|H<1>}	H(OC[6])	111.4330	0.000	1	111.4330	0.000	1	110.0116	0.734	5	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:O-2:	O-2:	O(C[6]C[6,6]C[6a]C[6])(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH)	H(OC[6])	O(C[6]C[6,6]C[6a]C[6])(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(OC[6])	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.4840	0.018	4	109.4840	0.000	4	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(OH){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4737	0.026	4	109.4737	0.001	4	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[6])	109.4770	0.000	1	109.4770	0.000	1	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OH){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4850	0.042	2	109.4850	0.002	2	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	H(OC[6])	103.7200	0.000	1	103.7200	0.000	1	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH){1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	109.4740	0.000	1	109.4740	0.000	1	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)(OH){1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	109.4620	0.011	2	109.4620	0.000	2	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.4787	0.011	3	110.0865	1.478	4	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,4|H<1>}	H(OC[6])	111.9100	0.000	1	110.0865	1.478	4	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	104.1000	0.000	1	104.1000	0.000	1	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(OC[6])	109.4480	0.000	1	109.4480	0.000	1	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.5192	0.030	4	109.5192	0.001	4	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH){1|C<4>,1|S<4>,2|H<1>}	H(OC[6])	109.4810	0.000	1	109.4810	0.000	1	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH){1|C<4>,2|H<1>}	H(OC[6])	109.4380	0.000	1	109.4380	0.000	1	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.4440	0.000	1	109.4440	0.000	1	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH){1|C<4>,2|H<1>}	H(OC[6])	106.6630	3.871	2	106.6630	14.982	2	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.4760	0.000	1	109.4760	0.000	1	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH){2|H<1>,3|C<4>}	H(OC[6])	109.4760	0.006	2	109.4760	0.000	2	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCC)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(OC[6])	106.9525	3.550	2	106.9525	12.605	2	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCH)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.4020	0.000	1	109.4020	0.000	1	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC[6a]N)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC[6a]N)(OH){1|C<4>,4|H<1>}	H(OC[6])	110.9035	0.066	2	110.9035	0.004	2	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(COO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(COO)(OH){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4490	0.000	1	109.6050	0.049	2	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(COO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(COO)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.7610	0.000	1	109.6050	0.049	2	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CRuC)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CRuC)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.4600	0.047	2	109.4600	0.002	2	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(COO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(COO)(OH){1|C<4>,1|N<4>,3|H<1>}	H(OC[6])	110.3350	0.000	1	110.3350	0.000	1	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(OC[6])	109.4460	0.000	1	109.4460	0.000	1	109.1252	2.875	44	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:3:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:O-2:	O-2:	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH)	H(OC[6])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(OC[6])	112.6430	0.000	1	112.6430	0.000	1	112.6430	0.000	1	109.2106	2.792	82	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[3,5]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[3,5]C[6]2)(H)	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[3,5]C[6]2)(H)	C[6](C[3,5]C[3,5]C[5]O[3])(C[6]C[3,6]CH)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	H(OC[6])	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[3,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[6]C[3,6]C[5]C[6])(H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[3,6]C[5]C[6])(H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[5]C[5]2H)(C[6]C[6]HH)(OH){1|O<1>,4|C<4>,4|H<1>}	H(OC[6])	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH)	H(OC[6])	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,5,6]O[3]C)(C[6]C[6]HH)(CCCH)(OH){2|C<4>,2|H<1>}	H(OC[6])	109.4750	0.000	1	109.4750	0.000	1	109.3292	1.165	5	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[6]HH)(CH3)(OH){2|C<4>,4|H<1>}	H(OC[6])	107.5880	0.000	1	107.5880	0.000	1	109.3292	1.165	5	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(CH3)(OH){1|S<4>,2|C<4>,2|H<1>}	H(OC[6])	109.4850	0.000	1	109.4850	0.000	1	109.3292	1.165	5	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH)	H(OC[6])	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CH)(CH3)(OH){1|H<1>,3|C<4>}	H(OC[6])	109.5270	0.000	1	109.5270	0.000	1	109.3292	1.165	5	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[3,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[3,6]C[6]C)(H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,6|H<1>}	H(OC[6])	110.5710	0.000	1	110.5710	0.000	1	109.3292	1.165	5	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[3]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[3]C[6]2)(H)	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH)	H(OC[6])	O(C[6]C[3]C[6]2)(H)	C[6](C[3]C[3,5]2C)(C[6]C[5,6]HH)(C[6]C[6]CH)(OH){1|O<2>,3|H<1>,5|C<4>}	H(OC[6])	109.4690	0.068	2	109.4690	0.005	2	109.3050	0.083	3	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[3]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[3]C[6]2)(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH)	H(OC[6])	O(C[6]C[3]C[6]2)(H)	C[6](C[3]C[3]2H)(C[6]C[6]HH)(C[6]N[6]HH)(OH){1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(OC[6])	108.9770	0.000	1	108.9770	0.000	1	109.3050	0.083	3	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[4]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[4]C[6]2)(H)	C[6](C[4]C[4]S[4]H)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[4]C[6]2)(H)	C[6](C[4]C[4]S[4]H)(C[6]C[6]HH)2(OH){1|O<1>,2|C<4>,6|H<1>}	H(OC[6])	109.4600	0.042	2	109.4600	0.002	2	109.4600	0.002	2	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,5,6]C[6]C)(H)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,5,6]C[6]C)(H)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(OC[6])	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[3,6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6,6]C[3,6]C)(H)	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6,6]C[3,6]C)(H)	C[6](C[5,6,6]C[3x6]C[5,6]O[5])(C[3,6]C[3,6]O[3]H)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(OC[6])	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	H(OC[6])	109.4603	0.053	3	109.4603	0.003	3	109.4664	0.002	11	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	H(OC[6])	109.4530	0.000	1	109.4530	0.000	1	109.4664	0.002	11	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,5|C<4>}	H(OC[6])	109.4660	0.000	1	109.4672	0.000	4	109.4664	0.002	11	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(CH3)(OH){2|H<1>,2|O<2>,5|C<4>}	H(OC[6])	109.4677	0.009	3	109.4672	0.000	4	109.4664	0.002	11	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6,6]C[6]C)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(CH3)(OH){4|H<1>,5|C<4>}	H(OC[6])	109.4757	0.067	3	109.4757	0.005	3	109.4664	0.002	11	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	O-2:	O(C[6]C[5,6]3)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)	H(OC[6])	O(C[6]C[5,6]3)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH){1|O<1>,3|O<2>,4|H<1>,5|C<4>}	H(OC[6])	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5,6]C[5]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(OC[6])	O(C[6]C[5,6]C[5]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(OC[6])	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,1|N<4>,3|C<4>,6|H<1>}	H(OC[6])	109.4270	0.000	1	109.4270	0.000	1	109.4537	0.003	3	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH)	H(OC[6])	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(OH){1|N<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(OC[6])	109.5130	0.000	1	109.5130	0.000	1	109.4537	0.003	3	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(CHHO)(OH){1|O<2>,3|H<1>,4|C<4>}	H(OC[6])	109.4210	0.000	1	109.4210	0.000	1	109.4537	0.003	3	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(CCHH)(OH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(OC[6])	109.4970	0.000	1	109.4970	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(OC[6])	109.4510	0.031	2	109.4510	0.001	2	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4740	0.000	1	109.4795	0.000	2	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	H(OC[6])	109.4850	0.000	1	109.4795	0.000	2	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[6])	109.2270	0.000	1	109.2270	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(CH3)(OH){2|O<2>,3|C<4>,3|H<1>}	H(OC[6])	109.4850	0.000	1	109.4850	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(CCHH)(OH){1|C<3>,4|H<1>,5|C<4>}	H(OC[6])	109.2060	0.431	2	109.2060	0.186	2	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	H(OC[6])	109.4430	0.000	1	109.4430	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(OC[6])	109.5000	0.000	1	109.5000	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(OC[6])	108.3627	2.633	3	107.2870	9.250	4	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	H(OC[6])	104.0600	0.000	1	107.2870	9.250	4	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(OH){2|C<4>,6|H<1>}	H(OC[6])	109.4280	0.000	1	109.4280	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	H(OC[6])	106.8180	0.000	1	106.8180	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,2|O<2>,5|H<1>}	H(OC[6])	130.6650	0.000	1	130.6650	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,5|H<1>}	H(OC[6])	107.0440	0.000	1	107.0440	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(CHHO)(OH){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	109.5010	0.000	1	109.5010	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCCH)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	109.5045	0.078	2	109.5045	0.006	2	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CH3)(OH){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	109.2410	0.000	1	109.2410	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(OC[6])	104.9900	0.000	1	104.9900	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(OC[6])	105.9500	0.000	1	105.9500	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(OC[6])	105.6340	0.000	1	106.7835	2.643	2	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(CH3)(OH){2|O<2>,3|C<4>,4|H<1>}	H(OC[6])	107.9330	0.000	1	106.7835	2.643	2	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	H(OC[6])	110.1720	0.000	1	108.4407	3.115	7	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(OC[6])	108.1246	1.947	5	108.4407	3.115	7	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)(OH){4|H<1>,5|C<4>}	H(OC[6])	108.2900	0.000	1	108.4407	3.115	7	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	H(OC[6])	109.4850	0.000	1	111.4230	7.512	2	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(CH3)(OH){1|C<3>,2|C<4>,6|H<1>}	H(OC[6])	113.3610	0.000	1	111.4230	7.512	2	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(OC[6])	112.3180	0.000	1	112.3180	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,5|H<1>}	H(OC[6])	109.4940	0.000	1	109.4940	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH)	H(OC[6])	O(C[6]C[5,6]C[6]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]O[6]HH)(CCHO)(OH){1|H<1>,1|O<2>,2|C<4>}	H(OC[6])	109.5010	0.000	1	109.5010	0.000	1	109.2828	15.972	39	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[5,6]CH)(C[6]C[6]CH)(OH){3|O<2>,4|C<4>,4|H<1>}	H(OC[6])	109.5205	0.008	2	109.5205	0.000	2	109.4443	0.018	12	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,6]O[5]H)(C[6]C[6]CC)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(OC[6])	109.0250	0.000	1	109.0250	0.000	1	109.4443	0.018	12	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,6a]N[5]O)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5,6a]N[5]O)(C[6]C[6]HH)2(OH){2|C<4>,3|C<3>,4|H<1>}	H(OC[6])	109.4570	0.011	2	109.4570	0.000	2	109.4443	0.018	12	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(OC[6])	109.4860	0.000	1	109.4848	0.000	6	109.4443	0.018	12	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(OC[6])	109.5210	0.000	1	109.4848	0.000	6	109.4443	0.018	12	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(OC[6])	109.4740	0.006	2	109.4848	0.000	6	109.4443	0.018	12	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(OC[6])	109.4760	0.000	1	109.4848	0.000	6	109.4443	0.018	12	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]CH)2(OH){2|C<4>,3|C<3>,5|H<1>}	H(OC[6])	109.4780	0.000	1	109.4848	0.000	6	109.4443	0.018	12	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[5]C[5]2O)(C[6]C[6]CH)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,6|H<1>}	H(OC[6])	109.4430	0.000	1	109.4430	0.000	1	109.4443	0.018	12	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[3,6]-4:C-4:O-2:	O-2:	O(C[6]C[3,6]C[6,6]C)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH)	H(OC[6])	O(C[6]C[3,6]C[6,6]C)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[3,6]C[3]C[6]O[3])(CCHH)(OH){3|C<4>,7|H<1>}	H(OC[6])	145.5900	0.000	1	145.5900	0.000	1	145.5900	0.000	1	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C-4:O-2:	O-2:	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH)	H(OC[6])	O(C[6]C[5,6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]O[5]2)(CH3)(OH){1|C<3>,4|C<4>,5|H<1>}	H(OC[6])	109.4380	0.025	2	109.4380	0.001	2	109.4380	0.001	2	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]2C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]2C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(CH3)(OH){5|C<4>,5|H<1>}	H(OC[6])	109.4677	0.031	3	109.4677	0.001	3	109.4677	0.001	3	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,5|H<1>}	H(OC[6])	106.0345	2.412	2	106.0345	5.817	2	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6])	109.4687	0.047	3	109.4588	0.002	4	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(CH3)(OH){3|C<4>,3|H<1>}	H(OC[6])	109.4290	0.000	1	109.4588	0.002	4	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|H<1>,3|C<4>}	H(OC[6])	109.4350	0.000	1	109.4350	0.000	1	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(CH3)(OH){3|H<1>,5|C<4>}	H(OC[6])	111.0660	4.322	2	111.0660	18.678	2	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4500	0.000	1	109.4455	0.000	2	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(OC[6])	109.4410	0.000	1	109.4455	0.000	2	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(OC[6])	109.4605	0.016	2	110.1807	1.598	7	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){1|O<2>,3|C<4>,4|H<1>}	H(OC[6])	109.4135	0.012	2	110.1807	1.598	7	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(OH){3|C<4>,5|H<1>}	H(OC[6])	111.1723	1.487	3	110.1807	1.598	7	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)(OH){3|C<4>,5|H<1>}	H(OC[6])	109.4330	0.000	1	109.4330	0.000	1	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CH3)(OH){3|C<4>,5|H<1>}	H(OC[6])	109.4570	0.031	3	109.4570	0.001	3	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCl2H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	H(OC[6])	107.0060	0.000	1	107.0060	0.000	1	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(OH){2|C<4>,6|H<1>}	H(OC[6])	110.1550	0.000	1	110.1550	0.000	1	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCCO)(OH){1|C<3>,3|C<4>,4|H<1>}	H(OC[6])	109.4740	0.000	1	109.4740	0.000	1	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(OC[6])	106.9280	0.000	1	110.2557	28.158	18	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,3|C<4>,4|H<1>}	H(OC[6])	109.4770	0.000	1	110.2557	28.158	18	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	H(OC[6])	109.6230	0.000	1	110.2557	28.158	18	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	H(OC[6])	114.8577	13.522	3	110.2557	28.158	18	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|C<4>,4|H<1>}	H(OC[6])	107.3790	0.000	1	110.2557	28.158	18	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|O<2>,3|H<1>,4|C<4>}	H(OC[6])	110.0530	0.990	2	110.2557	28.158	18	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4915	0.049	2	110.2557	28.158	18	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	H(OC[6])	109.6477	2.011	7	110.2557	28.158	18	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,3|C<4>,4|H<1>}	H(OC[6])	109.4570	0.000	1	109.4570	0.000	1	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	H(OC[6])	109.4420	0.000	1	109.4420	0.000	1	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){1|C<3>,3|C<4>,4|H<1>}	H(OC[6])	109.3685	0.168	2	108.0640	3.065	6	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|C<4>,4|H<1>}	H(OC[6])	106.1530	0.000	1	108.0640	3.065	6	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(OH){4|C<4>,4|H<1>}	H(OC[6])	107.8313	2.010	3	108.0640	3.065	6	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)(OH){4|C<4>,4|H<1>}	H(OC[6])	109.4745	0.050	4	109.4745	0.003	4	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]HH)(CH3)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(OC[6])	104.3790	0.000	1	104.3790	0.000	1	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,5,6]CC)(CH3)(OH){1|C<3>,2|H<1>,3|C<4>}	H(OC[6])	109.4610	0.000	1	109.4610	0.000	1	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]CC)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	108.6710	0.000	1	108.6710	0.000	1	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6,6]C[6]C)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(OC[6])	109.4150	0.000	1	109.4150	0.000	1	109.4538	10.628	59	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(OC[6])	109.4795	0.019	2	109.4656	0.002	5	109.4578	0.002	10	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,4|C<4>,6|H<1>}	H(OC[6])	109.4270	0.000	1	109.4656	0.002	5	109.4578	0.002	10	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|O<2>,5|C<4>,5|H<1>}	H(OC[6])	109.5320	0.000	1	109.4656	0.002	5	109.4578	0.002	10	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[3,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){2|O<2>,4|H<1>,5|C<4>}	H(OC[6])	109.4100	0.000	1	109.4656	0.002	5	109.4578	0.002	10	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[5,6]CH)(C[5]C[5]2H)(C[6]C[6]CH)(OH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(OC[6])	109.4543	0.058	4	109.4543	0.003	4	109.4578	0.002	10	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH)	H(OC[6])	O(C[6]C[5]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[5]C[5]2C)(C[6]C[6]HH)(OH){1|O<2>,4|H<1>,6|C<4>}	H(OC[6])	109.4330	0.000	1	109.4330	0.000	1	109.4578	0.002	10	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,2|C<4>,2|H<1>}	H(OC[6])	110.6880	6.484	2	110.6880	42.044	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,5,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.5050	0.000	1	109.5050	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,3|C<4>}	H(OC[6])	107.6835	2.552	2	107.6835	6.512	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4450	0.000	1	109.4450	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[5,5]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4410	0.000	1	109.4410	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.5180	0.000	1	109.5180	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)(OH){2|C<4>,3|H<1>}	H(OC[6])	108.8870	0.000	1	108.8870	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	H(OC[6])	109.5020	0.000	1	109.5020	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(OH){1|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4690	0.059	2	109.4690	0.004	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)(OH){3|C<3>}	H(OC[6])	109.4490	0.000	1	109.4490	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|H<1>}	H(OC[6])	110.5020	0.000	1	109.9845	0.536	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<1>,2|C<3>}	H(OC[6])	109.4670	0.000	1	109.9845	0.536	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4210	0.000	1	109.4210	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4810	0.000	1	109.4810	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	107.9040	0.000	1	107.9040	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	109.4425	0.032	4	109.4425	0.001	4	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(CH3)(OH){2|C<3>}	H(OC[6])	109.4930	0.046	3	109.4930	0.002	3	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(OC[6])	110.6780	0.000	1	110.6780	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,2|C<3>}	H(OC[6])	108.9645	1.002	4	109.1358	0.673	6	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	H(OC[6])	109.4785	0.012	2	109.1358	0.673	6	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(OC[6])	104.2190	0.000	1	104.2190	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	H(OC[6])	110.2220	0.000	1	110.2220	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4570	0.000	1	109.4570	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CClHH)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.0460	0.000	1	109.0460	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,3|C<4>}	H(OC[6])	109.4940	0.000	1	109.6119	3.699	16	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(OC[6])	109.6197	1.990	15	109.6119	3.699	16	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	110.0112	1.579	6	110.0112	2.492	6	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.4900	0.000	1	109.4900	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(OC[6])	109.4440	0.000	1	109.0157	1.830	9	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	H(OC[6])	108.9621	1.436	8	109.0157	1.830	9	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(OC[6])	109.6110	2.447	2	108.5477	6.385	3	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	106.4210	0.000	1	108.5477	6.385	3	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CH3)(OH){1|C<3>,1|O<1>,2|C<4>}	H(OC[6])	109.4800	0.000	1	109.4800	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HH)2(CH3)(OH){1|N<3>,2|C<4>,2|H<1>}	H(OC[6])	103.5010	0.000	1	103.5010	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.4740	0.021	3	109.4740	0.000	3	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.1575	2.003	2	109.2483	2.031	3	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(OH){2|C<3>,2|H<1>}	H(OC[6])	109.4300	0.000	1	109.2483	2.031	3	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(OC[6])	109.4950	0.000	1	109.4695	0.001	4	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	H(OC[6])	109.4570	0.000	1	109.4695	0.001	4	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.4630	0.030	2	109.4695	0.001	4	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CCHH)(OH){2|C<3>}	H(OC[6])	111.2420	0.000	1	111.2420	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CH3)(OH){2|H<1>,4|C<3>}	H(OC[6])	109.4660	0.000	1	109.4660	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(OH){1|H<1>,3|C<3>}	H(OC[6])	108.5147	3.632	4	108.5147	13.193	4	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(CH3)(OH){2|C<3>,2|H<1>}	H(OC[6])	109.4020	0.000	1	109.4020	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|C<3>,4|H<1>}	H(OC[6])	109.4860	0.000	1	109.4860	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	H(OC[6])	106.4515	0.100	2	106.4515	0.010	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[6])	108.0150	1.469	2	107.7602	8.263	4	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CH3)(OH){1|Cl<1>,1|C<4>,3|H<1>}	H(OC[6])	107.5055	4.730	2	107.7602	8.263	4	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	111.7226	7.741	9	111.4951	53.787	10	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6]HO)(OH){1|C<3>,1|C<4>,1|O<1>}	H(OC[6])	109.4480	0.000	1	111.4951	53.787	10	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[6])	109.4325	0.019	2	109.4550	0.001	4	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){1|C<4>,2|O<1>}	H(OC[6])	109.5040	0.000	1	109.4550	0.001	4	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.4510	0.000	1	109.4550	0.001	4	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.5250	0.000	1	109.5250	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	H(OC[6])	107.1330	3.381	2	107.1330	11.434	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CClHH)(OH){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	106.4310	0.000	1	106.4310	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCo2C)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.4976	0.031	5	109.4976	0.001	5	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(OC[6])	109.4440	0.000	1	109.4440	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<4>,2|H<1>}	H(OC[6])	108.0509	2.481	9	108.0320	4.685	34	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(OC[6])	108.6603	1.443	3	108.0320	4.685	34	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	106.7830	0.000	1	108.0320	4.685	34	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(OC[6])	106.2540	0.000	1	108.0320	4.685	34	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.4445	0.019	2	108.0320	4.685	34	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|Cl<1>,1|H<1>,3|C<4>}	H(OC[6])	107.0570	0.000	1	108.0320	4.685	34	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,2|C<3>}	H(OC[6])	108.2645	1.677	2	108.0320	4.685	34	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	H(OC[6])	109.4660	0.000	1	108.0320	4.685	34	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>}	H(OC[6])	106.8372	1.745	4	108.0320	4.685	34	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>}	H(OC[6])	107.7060	2.287	3	108.0320	4.685	34	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.4545	0.042	2	108.0320	4.685	34	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(OH){2|H<1>,3|C<4>}	H(OC[6])	108.0588	3.730	5	108.0320	4.685	34	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHS)(OH){2|C<4>,3|H<1>}	H(OC[6])	109.9550	1.674	2	109.9550	2.804	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(OC[6])	109.4980	0.000	1	109.4980	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)2(CCCH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)2(CCCH)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.4825	0.025	2	109.4825	0.001	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)2(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CH)2(CCHH)(OH){1|C<4>,1|O<1>,2|H<1>}	H(OC[6])	109.4240	0.000	1	109.4240	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4980	0.000	1	109.4980	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.4900	0.000	1	109.4900	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH){2|H<1>,3|C<4>}	H(OC[6])	109.4680	0.000	1	109.4680	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	H(OC[6])	108.8310	0.000	1	108.8310	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]FF)2(CF3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]FF)2(CF3)(OH){1|C<4>,4|F<1>}	H(OC[6])	109.9453	2.127	3	109.9453	4.525	3	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC3)(OH){1|C<4>,4|H<1>}	H(OC[6])	112.0750	0.000	1	112.0750	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCCH)(OH){1|C<4>,4|H<1>}	H(OC[6])	106.9470	0.000	1	106.9470	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CF3)(OH){1|C<4>,4|H<1>}	H(OC[6])	105.5210	0.000	1	105.5210	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|C<4>,3|H<1>}	H(OC[6])	109.5240	0.000	1	109.2346	0.960	14	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<3>,1|N<3>,3|H<1>}	H(OC[6])	109.4591	0.027	11	109.2346	0.960	14	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[6])	105.8520	0.000	1	109.2346	0.960	14	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.8580	0.000	1	109.2346	0.960	14	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCCH)(OH){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	110.2510	1.321	2	110.2510	1.745	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]CH)(OH){1|C<4>,4|H<1>}	H(OC[6])	106.3000	0.000	1	106.3000	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	H(OC[6])	108.5975	1.296	2	108.5001	3.897	16	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	H(OC[6])	106.8345	3.688	2	108.5001	3.897	16	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	108.8955	0.736	2	108.5001	3.897	16	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|F<1>,2|H<1>}	H(OC[6])	108.9027	3.378	3	108.5001	3.897	16	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.4598	0.054	5	108.5001	3.897	16	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(OH){2|C<4>,3|H<1>}	H(OC[6])	106.6695	1.457	2	108.5001	3.897	16	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHN)(OH){1|C<4>,4|H<1>}	H(OC[6])	103.7260	0.000	1	103.7260	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)(OH){1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	111.8960	0.000	1	111.8960	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CN[6]HH)(OH){1|C<4>,4|H<1>}	H(OC[6])	106.8115	3.159	2	106.8115	9.977	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(CH3)(OH){1|C<4>,4|H<1>}	H(OC[6])	107.2564	5.237	8	107.2564	27.422	8	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){1|H<1>,1|O<1>,2|C<4>}	H(OC[6])	109.4780	0.000	1	107.7585	5.913	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)(OH){5|C<4>}	H(OC[6])	106.0390	0.000	1	107.7585	5.913	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<3>,1|H<1>,2|C<4>}	H(OC[6])	107.5260	0.000	1	108.4855	1.841	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(OH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(OC[6])	109.4450	0.000	1	108.4855	1.841	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(OH){1|C<4>,2|H<1>}	H(OC[6])	109.4680	0.000	1	109.4680	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC3)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.8765	0.534	2	109.8765	0.285	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCHH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCHH)(OH){1|C<4>,4|H<1>}	H(OC[6])	110.2650	1.394	3	110.2650	1.943	3	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCHP)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCHP)(OH){1|C<4>,4|H<1>}	H(OC[6])	107.1370	0.000	1	107.1370	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CC[6a]CH)(OH){1|C<4>,4|H<1>}	H(OC[6])	108.1976	3.564	20	108.1976	12.700	20	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCl3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCl3)(OH){1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	109.4790	0.000	1	109.4790	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CClHS)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CClHS)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.8025	1.749	2	109.8025	3.058	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCo2C)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CCo2C)(OH){1|C<4>,4|H<1>}	H(OC[6])	109.5310	0.000	1	109.5310	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(OC[6])	110.1590	0.000	1	109.4708	10.912	9	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<3>,1|N<3>,1|O<1>}	H(OC[6])	114.2500	0.000	1	109.4708	10.912	9	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,1|N<3>,3|H<1>}	H(OC[6])	110.7520	0.000	1	109.4708	10.912	9	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|C<4>,4|H<1>}	H(OC[6])	105.5400	0.000	1	109.4708	10.912	9	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,1|O<2>,3|C<4>}	H(OC[6])	103.8470	0.000	1	109.4708	10.912	9	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){1|O<1>,2|C<3>}	H(OC[6])	108.3320	0.000	1	109.4708	10.912	9	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CF3)(OH){2|O<2>,3|C<4>}	H(OC[6])	110.7857	2.095	3	109.4708	10.912	9	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|Br<1>,1|H<1>,3|C<4>}	H(OC[6])	109.4660	0.000	1	108.5494	4.405	8	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[6])	109.4720	0.000	1	108.5494	4.405	8	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,2|C<3>}	H(OC[6])	106.9870	0.000	1	108.5494	4.405	8	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	109.0870	0.000	1	108.5494	4.405	8	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CH3)(OH){1|C<4>,4|H<1>}	H(OC[6])	108.3457	2.958	4	108.5494	4.405	8	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CHHN)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CHHN)(OH){1|C<4>,4|H<1>}	H(OC[6])	107.1792	3.179	4	107.1792	10.107	4	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CHHO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CHHO)(OH){1|C<3>,2|C<4>,2|H<1>}	H(OC[6])	109.4640	0.000	1	109.4640	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CN[5]CH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(CN[5]CH)(OH){1|C<4>,4|H<1>}	H(OC[6])	107.1607	1.751	3	107.1607	3.066	3	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(CCHO)(OH){1|C<4>,2|H<1>}	H(OC[6])	101.2000	0.000	1	101.2000	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CH3)(OH){1|O<2>,2|C<4>}	H(OC[6])	110.4890	0.000	1	110.4890	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CHHN)(OH){1|C<4>,1|H<1>,1|O<2>}	H(OC[6])	108.0970	0.000	1	108.0970	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CH3)(OH){1|O<2>,2|C<4>}	H(OC[6])	109.9270	0.000	1	109.9270	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CC[6a]HH)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CC[6a]HH)(OH){1|C<4>,2|H<1>,2|O<2>}	H(OC[6])	109.4190	0.000	1	109.4190	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<3>,1|O<2>,2|H<1>}	H(OC[6])	109.4700	0.000	1	109.3895	6.926	4	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[6])	112.8660	0.000	1	109.3895	6.926	4	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CH3)(OH){1|C<4>,1|O<2>,3|H<1>}	H(OC[6])	107.6110	1.536	2	109.3895	6.926	4	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CHHO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6]HO)2(CHHO)(OH){1|C<3>,1|O<2>,2|H<1>}	H(OC[6])	110.8570	3.885	2	110.8570	15.092	2	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6])	107.0625	0.797	2	108.4970	1.874	5	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(OH){1|C<4>,2|H<1>,3|C<3>}	H(OC[6])	109.4533	0.021	3	108.4970	1.874	5	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[6])	104.4560	0.000	1	104.4560	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:O-2:	O-2:	O(C[6]C[6]2C)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH)	H(OC[6])	O(C[6]C[6]2C)(H)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(CHHO)(OH){1|C<3>,1|N<3>,2|H<1>}	H(OC[6])	108.5500	0.000	1	108.5500	0.000	1	108.8398	7.138	294	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6]3)(H)	C[6](C[6]C[6,6]HH)2(C[6]C[6]2C)(OH)	H(OC[6])	O(C[6]C[6]3)(H)	C[6](C[6]C[6,6]HH)2(C[6]C[6]2C)(OH){1|Br<1>,1|O<2>,4|C<4>,5|H<1>}	H(OC[6])	100.0900	0.000	1	100.0900	0.000	1	107.8408	9.080	14	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)2(OH){4|C<4>,7|H<1>}	H(OC[6])	110.1000	0.000	1	110.1000	0.000	1	107.8408	9.080	14	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2F)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2F)(C[6]C[6]HH)2(OH){3|C<4>,8|H<1>}	H(OC[6])	106.0770	3.239	2	106.0770	10.488	2	107.8408	9.080	14	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH){1|O<1>,3|C<4>,6|H<1>}	H(OC[6])	108.0023	2.561	3	108.7553	3.305	6	107.8408	9.080	14	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(OH){1|O<2>,3|C<4>,7|H<1>}	H(OC[6])	109.5083	0.045	3	108.7553	3.305	6	107.8408	9.080	14	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6]3)(H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(OH){3|C<4>,8|H<1>}	H(OC[6])	107.3525	1.780	2	107.3525	3.168	2	107.8408	9.080	14	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6]	H	4:1:	4:4:4:2:	2:	C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(C[6]C[6]3)(H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(OH)	H(OC[6])	O(C[6]C[6]3)(H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,6|H<1>}	H(OC[6])	110.0950	0.897	2	110.0950	0.804	2	107.8408	9.080	14	109.0773	10.425	464	109.1247	11.998	5583	109.1022	11.477	6391
893	466	951	0:SP3_SP-NON_SP3	O	C[6x6]	H	4:1:	4:4:4:2:	2:	C[6x6]-4:H-1:	C[6x6]-4:C[6x6]-4:C[6x6]-4:O-2:	O-2:	O(C[6x6]C[6x6]3)(H)	C[6x6](C[6x6]C[6,6]2C[6x6])3(OH)	H(OC[6x6])	O(C[6x6]C[6x6]3)(H)	C[6x6](C[6x6]C[6,6]2C[6x6])3(OH){15|H<1>,6|C<4>}	H(OC[6x6])	112.4170	0.000	1	112.4170	0.000	1	112.4170	0.000	1	112.4170	0.000	1	112.4170	0.000	1	109.1022	11.477	6391