893	474	941	0:SP2_SP2_SP3	O	C[5]	N	4:2:	4:4:2:1:	3:2:	C[5]-4:N-2:	C[5]-4:C[5]-4:O-2:H-1:	C-3:O-2:	O(C[5]C[5]2H)(NC)	C[5](C[5]C[5]CH)2(ON)(H)	N(CC[6a]H)(OC[5])	O(C[5]C[5]2H)(NC)	C[5](C[5]C[5]CH)2(ON)(H){4|H<1>}	N(CC[6a]H)(OC[5])	109.9050	0.000	1	109.9050	0.000	1	109.9050	0.000	1	109.9050	0.000	1	109.9050	0.000	1	109.9050	0.000	1
893	474	945	0:SP3_SP3_SP3	O	C[5,6]	P	4:3:	4:4:3:2:	2:2:2:	C[5,6]-4:P-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	O-2:O-2:C-2:	O(C[5,6]C[5,5,6]C[5,6]C[6a])(PCO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP)	P(OC[5,6])2(CN)	O(C[5,6]C[5,5,6]C[5,6]C[6a])(PCO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OP){1|C<4>,3|C<3>,6|H<1>}	P(OC[5,6])2(CN)	125.1515	17.148	2	125.1515	294.056	2	125.1515	294.056	2	125.1515	294.056	2	125.1515	294.056	2	125.1515	294.056	2
893	474	951	0:SP3_SP-NON_SP3	O	C[3x5,6,6]	H	4:1:	4:4:4:2:	2:	C[3x5,6,6]-4:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-4:O-2:	O-2:	O(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(OH)	H(OC[3x5,6,6])	O(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(H)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]C)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]CH)(OH){1|O<1>,2|C<4>,4|H<1>}	H(OC[3x5,6,6])	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[3x5,6]	H	4:1:	4:4:2:2:	2:	C[3x5,6]-4:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:O-2:	O-2:	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH)	H(OC[3x5,6])	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH){1|C<3>,3|C<4>,4|H<1>}	H(OC[3x5,6])	108.7130	0.000	1	108.5610	0.046	2	108.5610	0.046	2	108.5610	0.046	2	107.7827	7.174	6	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[3x5,6]	H	4:1:	4:4:2:2:	2:	C[3x5,6]-4:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:O-2:	O-2:	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH)	H(OC[3x5,6])	O(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(H)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(OH){4|C<4>,4|H<1>}	H(OC[3x5,6])	108.4090	0.000	1	108.5610	0.046	2	108.5610	0.046	2	108.5610	0.046	2	107.7827	7.174	6	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[3x5,6]	H	4:1:	4:4:4:2:	2:	C[3x5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	O-2:	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	H(OC[3x5,6])	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){2|H<1>,5|C<4>,5|O<2>}	H(OC[3x5,6])	112.0550	0.000	1	107.9997	14.799	3	107.9997	14.799	3	107.3935	11.336	4	107.7827	7.174	6	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[3x5,6]	H	4:1:	4:4:4:2:	2:	C[3x5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	O-2:	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	H(OC[3x5,6])	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){3|H<1>,4|O<2>,5|C<4>}	H(OC[3x5,6])	104.4020	0.000	1	107.9997	14.799	3	107.9997	14.799	3	107.3935	11.336	4	107.7827	7.174	6	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[3x5,6]	H	4:1:	4:4:4:2:	2:	C[3x5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,5,6]-4:O-2:	O-2:	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH)	H(OC[3x5,6])	O(C[3x5,6]C[5,5,6,6]C[5,5,6]2)(H)	C[3x5,6](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]C[5,6,6]C[5]O)(OH){3|O<2>,4|H<1>,5|C<4>}	H(OC[3x5,6])	107.5420	0.000	1	107.9997	14.799	3	107.9997	14.799	3	107.3935	11.336	4	107.7827	7.174	6	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[3x5,6]	H	4:1:	4:4:4:2:	2:	C[3x5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:O-2:	O-2:	O(C[3x5,6]C[5,5,6]2C[5,5])(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH)	H(OC[3x5,6])	O(C[3x5,6]C[5,5,6]2C[5,5])(H)	C[3x5,6](C[5,5,6]C[5,6]O[5]H)(C[5,5,6]O[5,6]C[5]H)(C[5,5]C[5,5,6]HO)(OH){1|N<3>,1|O<2>,3|H<1>}	H(OC[3x5,6])	105.5750	0.000	1	105.5750	0.000	1	105.5750	0.000	1	107.3935	11.336	4	107.7827	7.174	6	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[3x5]	H	4:1:	4:3:3:2:	2:	C[3x5]-4:H-1:	C[5,5]-4:N[5,5]-3:N[5,5]-3:O-2:	O-2:	O(C[3x5]C[5,5]N[5,5]2)(H)	C[3x5](C[5,5]C[5,6a]N[5]C)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(OH)	H(OC[3x5])	O(C[3x5]C[5,5]N[5,5]2)(H)	C[3x5](C[5,5]C[5,6a]N[5]C)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(OC[3x5])	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	109.1340	5.364	10	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[3x5]	H	4:1:	4:4:3:2:	2:	C[3x5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:O-2:	O-2:	O(C[3x5]C[5,5,6]C[5,5]N[5,5])(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH)	H(OC[3x5])	O(C[3x5]C[5,5,6]C[5,5]N[5,5])(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(OC[3x5])	109.4680	0.000	1	109.4895	0.001	2	109.4895	0.001	2	108.3809	1.477	8	109.1340	5.364	10	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[3x5]	H	4:1:	4:4:3:2:	2:	C[3x5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:O-2:	O-2:	O(C[3x5]C[5,5,6]C[5,5]N[5,5])(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH)	H(OC[3x5])	O(C[3x5]C[5,5,6]C[5,5]N[5,5])(H)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(OC[3x5])	109.5110	0.000	1	109.4895	0.001	2	109.4895	0.001	2	108.3809	1.477	8	109.1340	5.364	10	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[3x5]	H	4:1:	4:4:3:2:	2:	C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:O-2:	O-2:	O(C[3x5]C[5,5]2N[5,5])(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH)	H(OC[3x5])	O(C[3x5]C[5,5]2N[5,5])(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH){1|Br<1>,1|C<3>,2|O<1>,4|H<1>}	H(OC[3x5])	107.9170	1.644	3	108.0113	1.412	6	108.0113	1.412	6	108.3809	1.477	8	109.1340	5.364	10	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[3x5]	H	4:1:	4:4:3:2:	2:	C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:O-2:	O-2:	O(C[3x5]C[5,5]2N[5,5])(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH)	H(OC[3x5])	O(C[3x5]C[5,5]2N[5,5])(H)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH){1|C<3>,1|O<2>,2|O<1>,4|H<1>}	H(OC[3x5])	108.1057	0.895	3	108.0113	1.412	6	108.0113	1.412	6	108.3809	1.477	8	109.1340	5.364	10	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[3x5]	H	4:1:	4:4:4:2:	2:	C[3x5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,5]-4:O-2:	O-2:	O(C[3x5]C[5,5,6]C[5,5]2)(H)	C[3x5](C[5,5,6]C[5,6]C[6]O[5])(C[5,5]C[5]2O)(C[5,5]O[5]2H)(OH)	H(OC[3x5])	O(C[3x5]C[5,5,6]C[5,5]2)(H)	C[3x5](C[5,5,6]C[5,6]C[6]O[5])(C[5,5]C[5]2O)(C[5,5]O[5]2H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(OC[3x5])	114.9080	0.000	1	114.9080	0.000	1	114.9080	0.000	1	114.9080	0.000	1	109.1340	5.364	10	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[4x5]	H	4:1:	4:4:2:2:	2:	C[4x5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	O-2:	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	H(OC[4x5])	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<4>,3|C<3>,3|H<1>}	H(OC[4x5])	106.6025	0.317	2	107.6883	3.588	3	108.9480	5.411	6	108.9480	5.411	6	108.9480	5.411	6	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[4x5]	H	4:1:	4:4:2:2:	2:	C[4x5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	O-2:	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH)	H(OC[4x5])	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[6])(C[3x5,6]C[3,5,5,6]C[5,6,6a]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,2|C<3>,2|C<4>,3|H<1>}	H(OC[4x5])	109.8600	0.000	1	107.6883	3.588	3	108.9480	5.411	6	108.9480	5.411	6	108.9480	5.411	6	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[4x5]	H	4:1:	4:4:2:2:	2:	C[4x5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	O-2:	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH)	H(OC[4x5])	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,1|C<3>,1|C<4>,5|H<1>}	H(OC[4x5])	111.5215	0.022	2	110.2077	5.179	3	108.9480	5.411	6	108.9480	5.411	6	108.9480	5.411	6	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[4x5]	H	4:1:	4:4:2:2:	2:	C[4x5]-4:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:O[5,5]-2:O-2:	O-2:	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH)	H(OC[4x5])	O(C[4x5]C[3x5,6,6]C[3x5,6]O[5,5])(H)	C[4x5](C[3x5,6,6]C[3,5,5,6,6]C[5,6]C[6])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(OH){1|Sn<4>,2|C<4>,5|H<1>}	H(OC[4x5])	107.5800	0.000	1	110.2077	5.179	3	108.9480	5.411	6	108.9480	5.411	6	108.9480	5.411	6	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,3x6]	H	4:1:	3:4:4:2:	2:	C[5,3x6]-4:H-1:	C[5,6,6a]-3:C[5,6,6]-4:C[4x6]-4:O-2:	O-2:	O(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(OH)	H(OC[5,3x6])	O(C[5,3x6]C[5,6,6a]C[5,6,6]C[4x6])(H)	C[5,3x6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(OC[5,3x6])	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	112.3823	148.951	18	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,3x6]	H	4:1:	4:4:2:2:	2:	C[5,3x6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[5,3x6]C[5,3x6]C[5,6,6]O[6,6])(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH)	H(OC[5,3x6])	O(C[5,3x6]C[5,3x6]C[5,6,6]O[6,6])(H)	C[5,3x6](C[5,3x6]C[3x6]C[5]C[6])(C[5,6,6]C[3x6]O[5]H)(O[6,6]C[6,6])(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(OC[5,3x6])	122.3970	25.918	4	122.3970	671.744	4	122.3970	671.744	4	119.8124	537.208	5	112.3823	148.951	18	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,3x6]	H	4:1:	4:4:2:2:	2:	C[5,3x6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:O[6,6]-2:O-2:	O-2:	O(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH)	H(OC[5,3x6])	O(C[5,3x6]C[5,5,6,6]C[5,6,6]O[6,6])(H)	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6,6]O[6,6]C[5]H)(O[6,6]C[6,6])(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(OC[5,3x6])	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	119.8124	537.208	5	112.3823	148.951	18	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,3x6]	H	4:1:	4:4:3:2:	2:	C[5,3x6]-4:H-1:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-3:O-2:	O-2:	O(C[5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(H)	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]C)(OH)	H(OC[5,3x6])	O(C[5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(H)	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]C)(OH){1|O<1>,2|C<3>,3|C<4>,4|O<2>}	H(OC[5,3x6])	109.4690	0.000	1	109.4690	0.000	1	109.4690	0.000	1	109.5532	0.086	9	112.3823	148.951	18	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,3x6]	H	4:1:	4:4:3:2:	2:	C[5,3x6]-4:H-1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	O-2:	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]C[6,6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	H(OC[5,3x6])	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]C[6,6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	H(OC[5,3x6])	109.8790	0.642	2	109.8790	0.412	2	109.8790	0.412	2	109.5532	0.086	9	112.3823	148.951	18	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,3x6]	H	4:1:	4:4:3:2:	2:	C[5,3x6]-4:H-1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:O-2:	O-2:	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]N[6,6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH)	H(OC[5,3x6])	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]N[6,6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(N[6,6]C[6,6]H)(OH){1|O<1>,4|C<4>,4|H<1>}	H(OC[5,3x6])	109.4450	0.000	1	109.4450	0.000	1	109.4450	0.000	1	109.5532	0.086	9	112.3823	148.951	18	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,3x6]	H	4:1:	4:4:3:2:	2:	C[5,3x6]-4:H-1:	C[5,5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	O-2:	O(C[5,3x6]C[5,5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	H(OC[5,3x6])	O(C[5,3x6]C[5,5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(OC[5,3x6])	109.4610	0.000	1	109.4610	0.000	1	109.4610	0.000	1	109.5532	0.086	9	112.3823	148.951	18	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,3x6]	H	4:1:	4:4:3:2:	2:	C[5,3x6]-4:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	O-2:	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	H(OC[5,3x6])	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(OC[5,3x6])	109.4560	0.020	2	109.4597	0.000	3	109.4615	0.000	4	109.5532	0.086	9	112.3823	148.951	18	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,3x6]	H	4:1:	4:4:3:2:	2:	C[5,3x6]-4:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	O-2:	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	H(OC[5,3x6])	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(OC[5,3x6])	109.4670	0.000	1	109.4597	0.000	3	109.4615	0.000	4	109.5532	0.086	9	112.3823	148.951	18	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,3x6]	H	4:1:	4:4:3:2:	2:	C[5,3x6]-4:H-1:	C[5,6,6]-4:C[4x6]-4:C[5,6]-3:O-2:	O-2:	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH)	H(OC[5,3x6])	O(C[5,3x6]C[5,6,6]C[4x6]C[5,6])(H)	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[4x6]C[6,6]2C[6])(C[5,6]C[5]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(OC[5,3x6])	109.4670	0.000	1	109.4670	0.000	1	109.4615	0.000	4	109.5532	0.086	9	112.3823	148.951	18	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,3x6]	H	4:1:	4:4:4:2:	2:	C[5,3x6]-4:H-1:	C[5,5,3x6]-4:C[5,5,6,6]-4:C[6]-4:O-2:	O-2:	O(C[5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(H)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH)	H(OC[5,3x6])	O(C[5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(H)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[3x5,6]O)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(C[6]C[5,6]HH)(OH){1|H<1>,4|O<2>,5|C<4>}	H(OC[5,3x6])	109.9620	0.000	1	109.9620	0.000	1	109.9620	0.000	1	109.4667	0.210	3	112.3823	148.951	18	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,3x6]	H	4:1:	4:4:4:2:	2:	C[5,3x6]-4:H-1:	C[5,5,3x6]-4:C[5,5x6]-4:C[6,6]-4:O-2:	O-2:	O(C[5,3x6]C[5,5,3x6]C[5,5x6]C[6,6])(H)	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH)	H(OC[5,3x6])	O(C[5,3x6]C[5,5,3x6]C[5,5x6]C[6,6])(H)	C[5,3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6])(C[5,5x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(OH){10|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(OC[5,3x6])	109.2190	0.228	2	109.2190	0.052	2	109.2190	0.052	2	109.4667	0.210	3	112.3823	148.951	18	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,3x6]	H	4:1:	4:4:4:2:	2:	C[5,5,3x6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,3x6]-4:O-2:	O-2:	O(C[5,5,3x6]C[5,5,6,6]C[3x5,6]C[5,3x6])(H)	C[5,5,3x6](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,3x6]C[5,5,6,6]C[6]O)(OH)	H(OC[5,5,3x6])	O(C[5,5,3x6]C[5,5,6,6]C[3x5,6]C[5,3x6])(H)	C[5,5,3x6](C[3x5,6]C[3x5,6]C[5,5,6]O)(C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,3x6]C[5,5,6,6]C[6]O)(OH){3|H<1>,3|O<2>,4|C<4>}	H(OC[5,5,3x6])	109.5050	0.000	1	109.5050	0.000	1	109.5050	0.000	1	109.4740	0.002	3	109.4740	0.002	3	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,3x6]	H	4:1:	4:4:4:2:	2:	C[5,5,3x6]-4:H-1:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:O-2:	O-2:	O(C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[5,6,6])(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(OH)	H(OC[5,5,3x6])	O(C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[5,6,6])(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(OH){1|C<3>,3|C<4>,3|O<1>,8|H<1>}	H(OC[5,5,3x6])	109.4585	0.045	2	109.4585	0.002	2	109.4585	0.002	2	109.4740	0.002	3	109.4740	0.002	3	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6,6]	H	4:1:	4:3:4:2:	2:	C[5,5,6,6]-4:H-1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[6,6]-4:O-2:	O-2:	O(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[6,6])(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH)	H(OC[5,5,6,6])	O(C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]C[6,6])(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH){3|H<1>,6|C<4>}	H(OC[5,5,6,6])	109.3328	0.238	4	109.3328	0.057	4	109.3328	0.057	4	109.3328	0.057	4	108.9110	2.390	10	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	O-2:	O(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH)	H(OC[5,5,6,6])	O(C[5,5,6,6]C[5,3x6]C[5,6,6]C[5,5])(H)	C[5,5,6,6](C[5,3x6]C[5,6,6]O[6,6]O)(C[5,6,6]C[3x6]O[5]H)(C[5,5]C[5]2C[6])(OH){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(OC[5,5,6,6])	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	108.6298	4.031	6	108.9110	2.390	10	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(H)	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH)	H(OC[5,5,6,6])	O(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(H)	C[5,5,6,6](C[5,5,6]C[5]C[6]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]C)(OH){3|C<4>,8|H<1>}	H(OC[5,5,6,6])	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	108.6298	4.031	6	108.9110	2.390	10	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	O-2:	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	C[5,5,6,6](C[5,6,6]C[3,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(C[5,5]C[5,5,6]HH)(OH)	H(OC[5,5,6,6])	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	C[5,5,6,6](C[5,6,6]C[3,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(C[5,5]C[5,5,6]HH)(OH){2|O<2>,4|C<4>,4|H<1>}	H(OC[5,5,6,6])	109.4240	0.023	2	109.4240	0.001	2	108.2062	6.000	4	108.6298	4.031	6	108.9110	2.390	10	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:O-2:	O-2:	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH)	H(OC[5,5,6,6])	O(C[5,5,6,6]C[5,6,6]2C[5,5])(H)	C[5,5,6,6](C[5,6,6]N[5,6,6]C[6]H)(C[5,6,6]S[5,6]C[6]H)(C[5,5]C[5,5,6,6]HH)(OH){1|O<2>,2|H<1>,3|C<3>}	H(OC[5,5,6,6])	106.9885	3.474	2	106.9885	12.069	2	108.2062	6.000	4	108.6298	4.031	6	108.9110	2.390	10	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:2:2:	2:	C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:O[5]-2:O-2:	O-2:	O(C[5,5,6]C[5,5,6,6]C[3x5,6]O[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,5,6,6]C[5,5,3x6]O[5,6]C)(O[5]C[5,6])(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6,6]C[3x5,6]O[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,5,6,6]C[5,5,3x6]O[5,6]C)(O[5]C[5,6])(OH){2|O<2>,6|C<4>}	H(OC[5,5,6])	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	107.1608	30.186	8	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:2:2:	2:	C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:O[5,6]-2:O-2:	O-2:	O(C[5,5,6]C[3x5,6]C[5,6,6]O[5,6])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[5])(C[5,6,6]C[3,5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH)	H(OC[5,5,6])	O(C[5,5,6]C[3x5,6]C[5,6,6]O[5,6])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[5])(C[5,6,6]C[3,5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(OC[5,5,6])	108.6715	3.094	4	108.6715	9.575	4	108.6715	9.575	4	107.1608	30.186	8	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:2:2:	2:	C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:O-2:	O-2:	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[3x5,6]HH)(O[5]C[5])(OH)	H(OC[5,5,6])	O(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]C[3x5,6]HH)(O[5]C[5])(OH){1|O<2>,2|H<1>,4|C<4>}	H(OC[5,5,6])	102.6992	11.304	2	102.6992	127.771	2	102.6992	127.771	2	107.1608	30.186	8	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:2:2:	2:	C[5,5,6]-4:H-1:	C[3x5]-4:C[5,6]-4:O[5,6]-2:O-2:	O-2:	O(C[5,5,6]C[3x5]C[5,6]O[5,6])(H)	C[5,5,6](C[3x5]C[5,5,6,6]C[5]O[5])(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(OH)	H(OC[5,5,6])	O(C[5,5,6]C[3x5]C[5,6]O[5,6])(H)	C[5,5,6](C[3x5]C[5,5,6,6]C[5]O[5])(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(OH){4|H<1>,5|C<4>}	H(OC[5,5,6])	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	107.1608	30.186	8	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[6]-3:O-2:	O-2:	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	H(OC[5,5,6])	122.3380	0.000	1	122.3380	0.000	1	122.3380	0.000	1	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,6a]-3:O-2:	O-2:	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5,6a])(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]N[5])(C[5,5,6]C[5,5]S[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)	H(OC[5,5,6])	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5,6a])(H)	C[5,5,6](C[3x5,6]C[3x5,6]C[5]N[5])(C[5,5,6]C[5,5]S[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH){1|H<1>,2|C<3>,2|O<1>,4|C<4>}	H(OC[5,5,6])	103.7730	0.000	1	103.7730	0.000	1	103.7730	0.000	1	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:O-2:	O-2:	O(C[5,5,6]C[3x5,6]C[5,6]2)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[3x5,6]C[5,6]2)(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(OH){2|C<3>,5|C<4>}	H(OC[5,5,6])	109.4510	0.000	1	109.4510	0.000	1	109.4510	0.000	1	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:O-2:	O-2:	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[5]C[5,6]C)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]O[5,5]C)(C[5,6]C[5,5,6]CC)(C[5]C[5,6]C)(OH){1|H<1>,1|O<2>,2|C<4>}	H(OC[5,5,6])	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5,6]-3:O-2:	O-2:	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6]O[5,6]O)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[5,6]O[6])(C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6]O[5,6]O)(OH){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(OC[5,5,6])	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:O-2:	O-2:	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH){3|H<1>,4|C<3>}	H(OC[5,5,6])	103.1570	0.000	1	103.1570	0.000	1	103.1570	0.000	1	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5]-4:C[5,6]-3:O-2:	O-2:	O(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6,6]C[5,5]C[5,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]C[5])(C[5,5]C[5,5,6,6]HO)(C[5,6]C[5,6,6]O)(OH){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(OC[5,5,6])	109.4430	0.000	1	109.4430	0.000	1	109.4430	0.000	1	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	O-2:	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,4|C<4>}	H(OC[5,5,6])	106.3040	0.000	1	106.3040	0.000	1	106.0790	0.101	2	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:O-2:	O-2:	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5,6]C[5,5]C[5,6]O)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,5|H<1>}	H(OC[5,5,6])	105.8540	0.000	1	105.8540	0.000	1	106.0790	0.101	2	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:O-2:	O-2:	O(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)	C[5,5,6](C[5,5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,8|H<1>}	H(OC[5,5,6])	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:O-2:	O-2:	O(C[5,5,6]C[5,5,6]C[5,6]N[5,6])(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6]C[5,6]N[5,6])(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|C<3>,8|H<1>}	H(OC[5,5,6])	109.4940	0.007	2	109.4827	0.000	3	109.4827	0.000	3	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:O-2:	O-2:	O(C[5,5,6]C[5,5,6]C[5,6]N[5,6])(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6]C[5,6]N[5,6])(H)	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|C<3>,9|H<1>}	H(OC[5,5,6])	109.4600	0.000	1	109.4827	0.000	3	109.4827	0.000	3	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	O-2:	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(OH){2|C<4>,3|H<1>}	H(OC[5,5,6])	109.5300	0.069	3	109.5300	0.005	3	109.4622	0.024	5	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	O-2:	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(OH){2|C<4>,3|H<1>}	H(OC[5,5,6])	109.2020	0.000	1	109.2020	0.000	1	109.4622	0.024	5	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:3:2:	2:	C[5,5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:O-2:	O-2:	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,7|H<1>}	H(OC[5,5,6])	109.5190	0.000	1	109.5190	0.000	1	109.4622	0.024	5	109.1909	15.327	18	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,3x6]C[3x5,6]O)(C[5,5,6]C[5,5,6,6]C[5]O)(C[5]C[5]CO)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,3x6]C[3x5,6]O)(C[5,5,6]C[5,5,6,6]C[5]O)(C[5]C[5]CO)(OH){1|O<2>,4|C<4>,5|H<1>}	H(OC[5,5,6])	109.6140	0.000	1	109.6140	0.000	1	109.6140	0.000	1	107.8293	6.191	15	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	O-2:	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|H<1>,3|O<2>,5|C<4>}	H(OC[5,5,6])	104.6080	4.738	2	106.0680	17.617	3	106.0680	17.617	3	107.8293	6.191	15	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:O-2:	O-2:	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5]HO)(OH){2|O<2>,3|H<1>,5|C<4>}	H(OC[5,5,6])	108.9880	0.000	1	106.0680	17.617	3	106.0680	17.617	3	107.8293	6.191	15	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[3x6]-4:O-2:	O-2:	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[3x6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[3x6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[3x6]C[3x6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	H(OC[5,5,6])	109.4830	0.000	1	109.4830	0.000	1	109.4830	0.000	1	107.8293	6.191	15	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(OH){1|Cl<1>,3|C<4>,6|H<1>}	H(OC[5,5,6])	106.3830	0.000	1	106.3830	0.000	1	106.3830	0.000	1	107.8293	6.191	15	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])(H)	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C)(C[5,5,6]C[3x5,6]C[5]O)(C[5]C[5]HH)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[5])(H)	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,3x6]C)(C[5,5,6]C[3x5,6]C[5]O)(C[5]C[5]HH)(OH){3|H<1>,3|O<2>,4|C<4>}	H(OC[5,5,6])	109.4440	0.000	1	109.4440	0.000	1	109.4440	0.000	1	107.8293	6.191	15	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6]O[5,6]C[6])(C[5,5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(OC[5,5,6])	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	107.8293	6.191	15	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,5,6]C[5,5,6,6]C[5,6]2)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6,6]C[5,6]2)(H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[6,6]C[6])(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(OH){5|C<4>,6|H<1>}	H(OC[5,5,6])	105.0070	0.000	1	105.0070	0.000	1	105.0070	0.000	1	107.8293	6.191	15	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[3x5,6]-4:O-2:	O-2:	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6,6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[3x5,6]C[5,5,6]2H)(OH){1|Cl<1>,2|C<3>,4|C<4>,6|H<1>}	H(OC[5,5,6])	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	107.8293	6.191	15	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]N[5]HH)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6]2C[5])(H)	C[5,5,6](C[5,5,6]C[5,5,6]Se[5]H)(C[5,5,6]C[5,5]C[5,6]C)(C[5]N[5]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	H(OC[5,5,6])	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	107.8293	6.191	15	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:O-2:	O-2:	O(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(OH){1|O<2>,2|C<3>,4|C<4>}	H(OC[5,5,6])	106.8890	0.000	1	106.8890	0.000	1	106.8890	0.000	1	107.8293	6.191	15	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,5,6]C[5,5,6]C[5,6]2)(H)	C[5,5,6](C[5,5,6]N[5,5,6,6]C[5a,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5,6]C[5,6]2)(H)	C[5,5,6](C[5,5,6]N[5,5,6,6]C[5a,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(OC[5,5,6])	104.8960	0.000	1	104.8960	0.000	1	104.8960	0.000	1	107.8293	6.191	15	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,5]C[5,5,6]Br2)(C[5,6]C[5,6]CC)(C[5,6]C[5,6]HH)(OH){1|C<3>,3|H<1>}	H(OC[5,5,6])	109.6880	0.000	1	109.6880	0.000	1	109.6880	0.000	1	107.8293	6.191	15	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5,6]	H	4:1:	4:4:4:2:	2:	C[5,5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:O-2:	O-2:	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH)	H(OC[5,5,6])	O(C[5,5,6]C[5,5]C[5,6]2)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(C[5,5]C[5]2C)(OH){4|C<4>,9|H<1>}	H(OC[5,5,6])	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	107.8293	6.191	15	108.2966	14.663	41	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:3:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,4|C<3>}	H(OC[5,5])	107.7860	0.000	1	107.7860	0.000	1	108.1397	3.103	4	108.4060	2.682	5	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:3:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]C)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]C)(OH){1|O<1>,2|H<1>,4|C<3>}	H(OC[5,5])	109.5180	0.000	1	109.5180	0.000	1	108.1397	3.103	4	108.4060	2.682	5	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:3:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]O)(OH){1|O<1>,2|H<1>,3|C<3>}	H(OC[5,5])	105.7890	0.000	1	105.7890	0.000	1	108.1397	3.103	4	108.4060	2.682	5	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:3:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]O[5])(C[5]C[5]C)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]O[5])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,3|C<3>}	H(OC[5,5])	109.4660	0.000	1	109.4660	0.000	1	108.1397	3.103	4	108.4060	2.682	5	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:3:3:2:	2:	C[5,5]-4:H-1:	N[3x5]-3:C[5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)2(OH)	H(OC[5,5])	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)2(OH){2|C<4>,4|H<1>}	H(OC[5,5])	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	108.4060	2.682	5	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:3:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]2C[3x5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]N[5,5]N[5]2)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]2C[3x5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]N[5,5]N[5]2)(OH){2|H<1>,2|S<4>,6|C<3>}	H(OC[5,5])	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	109.2187	5.021	12	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:3:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(OH){1|O<1>,2|C<3>,5|H<1>}	H(OC[5,5])	109.4920	0.000	1	109.4920	0.000	1	107.2018	4.018	4	109.2187	5.021	12	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:3:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]N[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH){1|O<1>,2|C<3>,5|H<1>}	H(OC[5,5])	106.4383	1.590	3	106.4383	2.530	3	107.2018	4.018	4	109.2187	5.021	12	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:3:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]N[5,6])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,6a]C[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]N[5,6])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,6a]C[5]O)(OH){1|C<4>,1|H<1>,6|C<3>}	H(OC[5,5])	109.4610	0.000	1	109.4610	0.000	1	109.4555	0.000	2	109.2187	5.021	12	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:3:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]N[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]N[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2O)(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(OC[5,5])	109.4500	0.000	1	109.4500	0.000	1	109.4555	0.000	2	109.2187	5.021	12	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:3:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	H(OC[5,5])	109.4940	0.016	2	110.6942	3.965	5	110.6942	3.965	5	109.2187	5.021	12	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:3:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|H<1>,1|O<1>,6|C<3>}	H(OC[5,5])	109.4280	0.000	1	110.6942	3.965	5	110.6942	3.965	5	109.2187	5.021	12	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:3:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|O<1>,2|H<1>,5|C<3>}	H(OC[5,5])	112.5275	2.157	2	110.6942	3.965	5	110.6942	3.965	5	109.2187	5.021	12	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:2:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,4|C<3>}	H(OC[5,5])	109.3970	0.000	1	109.3970	0.000	1	109.5970	0.169	8	109.5970	0.169	8	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:2:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,4|C<3>}	H(OC[5,5])	109.6256	0.436	7	109.6256	0.190	7	109.5970	0.169	8	109.5970	0.169	8	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5]N)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[5]C[5]N)(OH){1|C<4>,3|C<3>,5|H<1>}	H(OC[5,5])	109.4420	0.000	1	109.4420	0.000	1	109.4420	0.000	1	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6]C)(OH){1|C<4>,1|H<1>,4|C<3>}	H(OC[5,5])	109.4430	0.000	1	109.4430	0.000	1	109.7464	1.474	20	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(OH){1|O<2>,2|H<1>,4|C<3>}	H(OC[5,5])	110.8568	2.689	4	110.8568	7.231	4	109.7464	1.474	20	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(OH){1|H<1>,4|C<3>}	H(OC[5,5])	109.4764	0.153	7	109.4764	0.023	7	109.7464	1.474	20	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)(OH){4|C<3>,4|H<1>}	H(OC[5,5])	109.4360	0.000	1	109.4360	0.000	1	109.7464	1.474	20	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(OC[5,5])	109.4740	0.000	1	109.4694	0.000	7	109.7464	1.474	20	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[5,5])	109.4645	0.010	4	109.4694	0.000	7	109.7464	1.474	20	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(OC[5,5])	109.4740	0.000	1	109.4694	0.000	7	109.7464	1.474	20	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]N[5]O)(OH){1|H<1>,4|C<3>}	H(OC[5,5])	109.4800	0.000	1	109.4694	0.000	7	109.7464	1.474	20	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(OC[5,5])	109.4565	0.028	2	109.4565	0.001	2	108.7685	0.636	4	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]H)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]H)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(OC[5,5])	107.9940	0.000	1	107.9940	0.000	1	108.7685	0.636	4	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(N[5]C[5]H)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]N[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(N[5]C[5]H)(OH){2|C<3>,2|H<1>,2|O<1>}	H(OC[5,5])	108.1670	0.000	1	108.1670	0.000	1	108.7685	0.636	4	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	N[3x5]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]Br)(OH)	H(OC[5,5])	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]Br)(OH){2|C<4>,5|H<1>}	H(OC[5,5])	109.4920	0.000	1	109.4920	0.000	1	109.4805	0.000	2	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	N[3x5]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]O)(OH)	H(OC[5,5])	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]O)(OH){2|C<4>,6|H<1>}	H(OC[5,5])	109.4690	0.000	1	109.4690	0.000	1	109.4805	0.000	2	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]N[5,5]C[5]2)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH)	H(OC[5,5])	O(C[5,5]N[5,5]C[5]2)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH){1|H<1>,1|N<3>,6|C<3>}	H(OC[5,5])	107.3020	0.000	1	107.3020	0.000	1	108.3785	2.318	2	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:3:2:	2:	C[5,5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]N[5,5]C[5]2)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(OH)	H(OC[5,5])	O(C[5,5]N[5,5]C[5]2)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(OH){1|C<4>,1|O<1>,4|H<1>}	H(OC[5,5])	109.4550	0.000	1	109.4550	0.000	1	108.3785	2.318	2	109.4883	1.361	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5a]-3:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5a]C[5,5]C[5])(H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5a]C[5,5]C[5])(H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){1|N<3>,2|C<3>,6|H<1>}	H(OC[5,5])	109.4920	0.000	1	109.4920	0.000	1	109.4760	0.001	2	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5a]-3:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5a]C[5,5]C[5])(H)	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5a]C[5,5]C[5])(H)	C[5,5](C[5,5a]N[5,5a]C[5a])(C[5,5]C[5]2H)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	H(OC[5,5])	109.4600	0.000	1	109.4600	0.000	1	109.4760	0.001	2	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[3x5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2H)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2H)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	H(OC[5,5])	109.4870	0.083	2	109.4870	0.007	2	109.4870	0.007	2	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]N[5,6]2H)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,4|C<3>}	H(OC[5,5])	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH){1|O<1>,6|C<3>,7|H<1>}	H(OC[5,5])	109.4750	0.000	1	111.9510	12.261	2	111.9510	12.261	2	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5,5]C[5]3)(OH){1|O<2>,6|C<3>,8|H<1>}	H(OC[5,5])	114.4270	0.000	1	111.9510	12.261	2	111.9510	12.261	2	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5,6]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(C[5,6]C[5,6]C[6]H)(OH){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	H(OC[5,5])	109.4610	0.000	2	109.4610	0.000	2	109.4610	0.000	2	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]S[5]CH)(OH){2|H<1>,4|C<3>}	H(OC[5,5])	109.5090	0.006	2	109.5090	0.000	2	108.2341	2.957	14	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a]O)(OH){2|H<1>,7|C<3>}	H(OC[5,5])	109.5290	0.000	1	109.5290	0.000	1	108.2341	2.957	14	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]HO)(OH){1|H<1>,1|O<1>,4|C<3>}	H(OC[5,5])	106.5145	2.108	4	106.5145	4.442	4	108.2341	2.957	14	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){3|C<3>,5|H<1>}	H(OC[5,5])	107.4860	0.000	1	107.4860	0.000	1	108.2341	2.957	14	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(OH){3|C<3>,4|H<1>}	H(OC[5,5])	109.4740	0.000	1	109.4740	0.000	1	108.2341	2.957	14	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(OC[5,5])	108.3580	0.000	1	107.6515	0.998	2	108.2341	2.957	14	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(OH){2|H<1>,4|C<3>}	H(OC[5,5])	106.9450	0.000	1	107.6515	0.998	2	108.2341	2.957	14	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]C)(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,3|C<3>}	H(OC[5,5])	109.4697	0.015	3	109.4697	0.000	3	108.2341	2.957	14	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5,5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5,6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]N[5]O)(OH){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	H(OC[5,5])	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5]-3:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,4|H<1>}	H(OC[5,5])	107.1320	2.516	2	107.1320	6.330	2	108.5237	8.975	3	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	C[5]-3:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]CC)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]CC)(OH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(OC[5,5])	111.3070	0.000	1	111.3070	0.000	1	108.5237	8.975	3	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	N[3x5]-3:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]BrH)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]N[3x5]C[5]2)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]BrH)(C[5]C[5]HH)(OH){2|C<4>,6|H<1>}	H(OC[5,5])	109.4390	0.000	1	109.4390	0.000	1	109.4390	0.000	1	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	3:4:4:2:	2:	C[5,5]-4:H-1:	N[5,6a]-3:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]N[5,6a]C[5,5]C[5])(H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]N[5,6a]C[5,5]C[5])(H)	C[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)(OH){2|C<3>,2|O<1>,4|H<1>}	H(OC[5,5])	107.6670	0.000	1	107.6670	0.000	1	107.6670	0.000	1	108.8816	3.509	29	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:2:3:2:	2:	C[5,5]-4:H-1:	C[3x5,6]-4:O[5]-2:C[5]-3:O-2:	O-2:	O(C[5,5]C[3x5,6]C[5]O[5])(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[3x5,6]C[5]O[5])(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(O[5]C[5,6])(C[5]O[5]O)(OH){4|H<1>,5|C<4>}	H(OC[5,5])	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	108.0095	4.636	2	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:2:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:O[5]-2:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]N)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]N)(OH){1|H<1>,1|O<1>,2|C<3>}	H(OC[5,5])	106.4870	0.000	1	106.4870	0.000	1	106.4870	0.000	1	108.0095	4.636	2	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:2:4:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	O-2:	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]CO)(OH)	H(OC[5,5])	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]CO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(OC[5,5])	109.4790	0.000	1	109.4790	0.000	1	109.4735	0.000	2	109.5161	0.003	7	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:2:4:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:O[5]-2:C[5]-4:O-2:	O-2:	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH)	H(OC[5,5])	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]O)(O[5]C[5,5,6])(C[5]C[5]HO)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(OC[5,5])	109.4680	0.000	1	109.4680	0.000	1	109.4735	0.000	2	109.5161	0.003	7	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:2:4:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:O[5]-2:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(O[5]C[5,5,6])(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(O[5]C[5,5,6])(C[5]C[5]HH)(OH){2|C<3>,3|C<4>,4|H<1>}	H(OC[5,5])	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	109.5161	0.003	7	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:2:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:O[5]-2:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(O[5]C[5,6a])(C[5]C[5]HH)(OH){2|C<3>,4|H<1>}	H(OC[5,5])	109.5470	0.058	4	109.5470	0.003	4	109.5470	0.003	4	109.5161	0.003	7	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:2:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(OC[5,5])	109.4750	0.000	1	105.4806	47.340	3	104.6035	26.441	7	105.6831	24.421	9	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:2:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(OC[5,5])	103.4834	8.411	2	105.4806	47.340	3	104.6035	26.441	7	105.6831	24.421	9	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:2:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(OC[5,5])	98.5525	0.000	1	104.0725	29.867	3	104.6035	26.441	7	105.6831	24.421	9	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:2:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(OC[5,5])	106.8325	3.746	2	104.0725	29.867	3	104.6035	26.441	7	105.6831	24.421	9	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:2:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]O[5])(H)	C[5,5](C[3x5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5])(OH){2|H<1>,4|C<3>,4|C<4>}	H(OC[5,5])	103.5650	0.000	1	103.5650	0.000	1	104.6035	26.441	7	105.6831	24.421	9	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:2:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5,6a]O[5])(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a]C[5,6a,6a]C[5a,6a])(O[5]C[5,5,6])(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5,6a]O[5])(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a]C[5,6a,6a]C[5a,6a])(O[5]C[5,5,6])(OH){2|N<3>,6|C<3>}	H(OC[5,5])	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	105.6831	24.421	9	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:2:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]O[5])(H)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(OH){1|H<1>,1|O<1>,6|C<3>}	H(OC[5,5])	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	105.6831	24.421	9	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[3,5]N[5,5]C[5])(H)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	H(OC[5,5])	O(C[5,5]C[3,5]N[5,5]C[5])(H)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[5,5])	112.5752	2.380	4	112.5752	5.663	4	112.5752	5.663	4	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	H(OC[5,5])	105.5180	3.349	4	105.5180	11.218	4	105.1913	8.322	15	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){2|C<4>,5|C<3>,6|H<1>}	H(OC[5,5])	105.1323	4.192	3	104.4346	9.759	5	105.1913	8.322	15	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	H(OC[5,5])	103.3880	0.485	2	104.4346	9.759	5	105.1913	8.322	15	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	H(OC[5,5])	104.6305	1.737	2	106.0314	8.508	5	105.1913	8.322	15	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	H(OC[5,5])	106.9653	3.498	3	106.0314	8.508	5	105.1913	8.322	15	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]N[5,6])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	H(OC[5,5])	103.4680	0.000	1	103.4680	0.000	1	105.1913	8.322	15	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5,6a]-3:O-2:	O-2:	O(C[5,5]C[5,5,6,6]C[5,6a]2)(H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])2(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6,6]C[5,6a]2)(H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])2(OH){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	H(OC[5,5])	109.4830	0.000	1	109.4830	0.000	1	109.4830	0.000	1	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5,6a]N[5])(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5,6a]N[5])(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(OH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(OC[5,5])	109.4750	0.035	2	109.4750	0.001	2	109.4750	0.001	2	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(C[5]O[5]O)(OH){1|C<3>,2|C<4>,4|H<1>}	H(OC[5,5])	109.4540	0.000	1	109.4540	0.000	1	105.3985	32.894	2	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5]C[6a]C[5])(C[5]C[5]C)(OH){6|C<3>}	H(OC[5,5])	101.3430	0.000	1	101.3430	0.000	1	105.3985	32.894	2	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]N)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	H(OC[5,5])	109.4470	0.000	1	109.4470	0.000	1	108.9237	2.930	4	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(OC[5,5])	110.3780	0.000	1	108.7493	4.212	3	108.9237	2.930	4	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(OH){1|O<1>,2|C<4>,3|C<3>}	H(OC[5,5])	107.9350	2.109	2	108.7493	4.212	3	108.9237	2.930	4	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH){2|O<2>,5|C<3>}	H(OC[5,5])	110.1510	0.000	2	110.1510	0.000	2	110.1510	0.000	2	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]O)(C[5]C[5]O)(OH){2|C<3>,3|C<4>}	H(OC[5,5])	109.4730	0.000	1	109.4730	0.000	1	109.4216	0.024	7	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(C[5]C[5,6]C)(OH){1|C<4>,3|C<3>}	H(OC[5,5])	109.4470	0.000	1	109.4470	0.000	1	109.4216	0.024	7	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){1|H<1>,3|C<3>}	H(OC[5,5])	109.3160	0.335	2	109.3573	0.061	3	109.4216	0.024	7	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]C)(OH){4|C<3>}	H(OC[5,5])	109.4400	0.000	1	109.3573	0.061	3	109.4216	0.024	7	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(C[5]C[5]N)(OH){1|S<2>,3|C<3>}	H(OC[5,5])	109.4795	0.006	2	109.4795	0.000	2	109.4216	0.024	7	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-3:N[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(N[5]C[5]H)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6a]N[5]O)(C[5]C[5,6a]O)(N[5]C[5]H)(OH){1|H<1>,1|O<1>,2|C<3>}	H(OC[5,5])	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]O)(C[5]N[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]O)(C[5]N[5]O)(OH){1|O<1>,3|C<3>}	H(OC[5,5])	109.4530	0.048	4	109.4530	0.002	4	109.4530	0.002	4	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]N[5]2)(H)	C[5,5](C[5,5]N[5]2O)(N[5]C[5]C)2(OH)	H(OC[5,5])	O(C[5,5]C[5,5]N[5]2)(H)	C[5,5](C[5,5]N[5]2O)(N[5]C[5]C)2(OH){2|C<4>,2|O<1>}	H(OC[5,5])	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:N[5,5]-3:O-2:	O-2:	O(C[5,5]C[5,6,6]C[5,6a]N[5,5])(H)	C[5,5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(OH)	H(OC[5,5])	O(C[5,5]C[5,6,6]C[5,6a]N[5,5])(H)	C[5,5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(OH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(OC[5,5])	109.8330	0.000	1	109.8330	0.000	1	109.8330	0.000	1	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:3:2:	2:	C[5,5]-4:H-1:	C[5,6]-4:N[5,5]-3:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6]N[5,5]C[5])(H)	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,6]N[5,5]C[5])(H)	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(OC[5,5])	101.0770	0.000	1	101.0770	0.000	1	101.0770	0.000	1	107.8838	11.050	45	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[3,5]-4:N[5,5]-3:C[5]-4:O-2:	O-2:	O(C[5,5]C[3,5]N[5,5]C[5])(H)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(OH)	H(OC[5,5])	O(C[5,5]C[3,5]N[5,5]C[5])(H)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[5,5])	103.9040	0.000	1	103.9040	0.000	1	103.9040	0.000	1	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(OH){1|N<2>,3|C<4>,3|H<1>,5|C<3>}	H(OC[5,5])	109.5410	0.000	1	109.5410	0.000	1	108.8782	2.241	6	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH){1|N<3>,2|C<3>,2|O<1>,3|H<1>,4|C<4>}	H(OC[5,5])	107.6485	2.582	2	107.6485	6.665	2	108.8782	2.241	6	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,6a]-3:C[5,6]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[3x5]C[5,6])(H)	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH){1|N<3>,2|C<3>,2|O<1>,3|H<1>,4|C<4>}	H(OC[5,5])	109.4770	0.024	3	109.4770	0.001	3	108.8782	2.241	6	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	H(OC[5,5])	108.8950	0.873	6	109.0514	0.628	8	109.0514	0.628	8	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){2|C<4>,4|C<3>,4|H<1>}	H(OC[5,5])	109.5400	0.000	1	109.0514	0.628	8	109.0514	0.628	8	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){3|C<3>,3|H<1>,4|C<4>}	H(OC[5,5])	109.5010	0.000	1	109.0514	0.628	8	109.0514	0.628	8	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6]C[6,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	H(OC[5,5])	109.4840	0.000	1	109.4840	0.000	1	109.4625	0.001	2	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6]N[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5,6a]C[5])(H)	C[5,5](C[5,5,6]N[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,6|C<3>}	H(OC[5,5])	109.4410	0.000	1	109.4410	0.000	1	109.4625	0.001	2	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|C<3>,1|O<1>,5|C<4>}	H(OC[5,5])	109.4725	0.002	2	109.2115	0.273	4	109.2115	0.273	4	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-3:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[6,6]C[5])(C[5]C[5,6]O)(C[5]O[5]CH)(OH){1|O<1>,2|C<3>,4|C<4>}	H(OC[5,5])	108.9505	0.739	2	109.2115	0.273	4	109.2115	0.273	4	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	H(OC[5,5])	109.4530	0.004	2	109.4403	0.000	3	109.4128	0.006	5	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){2|H<1>,2|O<2>,5|C<3>}	H(OC[5,5])	109.4150	0.000	1	109.4403	0.000	3	109.4128	0.006	5	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(OH){1|O<2>,3|H<1>,5|C<3>}	H(OC[5,5])	109.4610	0.000	1	109.4610	0.000	1	109.4128	0.006	5	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:3:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)	H(OC[5,5])	O(C[5,5]C[5,6a]C[5,5]C[5])(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH){1|O<2>,2|H<1>,6|C<3>}	H(OC[5,5])	109.2820	0.000	1	109.2820	0.000	1	109.4128	0.006	5	108.9392	1.755	26	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:O-2:H-1:	O-2:	O(C[5,5]C[3,5,5]C[3x5]H)(H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(OH)(H)	H(OC[5,5])	O(C[5,5]C[3,5,5]C[3x5]H)(H)	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(OH)(H){1|B<6>,1|C<3>,4|H<1>}	H(OC[5,5])	109.4420	0.000	1	109.4420	0.000	1	109.4420	0.000	1	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[3x5,6]C[3x5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5,6]H)(OH)(H)	H(OC[5,5])	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[3x5,6]C[3x5,6,6]C[3x5,6]C)(C[5,5,6]C[5,5,6,6]O[5,6]H)(OH)(H){2|C<3>,4|C<4>}	H(OC[5,5])	109.4980	0.000	1	109.4980	0.000	1	109.8790	0.807	5	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)(OH)(H)	H(OC[5,5])	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)(OH)(H){1|O<2>,3|C<4>,7|H<1>}	H(OC[5,5])	109.4707	0.048	3	109.4707	0.002	3	109.8790	0.807	5	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	H(OC[5,5])	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[3x5,6]C[5,5,6]N[5,5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){2|C<4>,3|H<1>}	H(OC[5,5])	111.4850	0.000	1	111.4850	0.000	1	109.8790	0.807	5	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[4,5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[4,5,5,6]C[5,5,6,6]H)(H)	C[5,5](C[4,5,5,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,5,6,6]C[5,6,6]2H)(OH)(H)	H(OC[5,5])	O(C[5,5]C[4,5,5,6]C[5,5,6,6]H)(H)	C[5,5](C[4,5,5,6]C[4,5,3x6]C[4,5,6,6]H)(C[5,5,6,6]C[5,6,6]2H)(OH)(H){1|Cl<1>,2|C<4>,4|H<1>}	H(OC[5,5])	109.4727	0.039	3	109.4727	0.001	3	109.4727	0.001	3	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[4,5,5,6]-4:C[5,5]-4:O-2:H-1:	O-2:	O(C[5,5]C[4,5,5,6]C[5,5]H)(H)	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(OH)(H)	H(OC[5,5])	O(C[5,5]C[4,5,5,6]C[5,5]H)(H)	C[5,5](C[4,5,5,6]C[4,5,6]C[4,5]C[6])(C[5,5]C[4,5,5]HH)(OH)(H){1|O<1>,3|C<4>,3|H<1>}	H(OC[5,5])	121.9950	0.000	1	121.9950	0.000	1	121.9950	0.000	1	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2O)(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2O)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	H(OC[5,5])	109.3459	0.322	7	109.3459	0.104	7	109.3852	0.065	11	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(OC[5,5])	109.4560	0.020	2	109.4540	0.000	4	109.3852	0.065	11	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]O[5,6]2C)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	H(OC[5,5])	109.4520	0.017	2	109.4540	0.000	4	109.3852	0.065	11	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[3x5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[3x5,6]C[5,5,6]2O)(OH)(H)	H(OC[5,5])	O(C[5,5]C[3x5,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(C[3x5,6]C[5,5,6]2O)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	H(OC[5,5])	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[5,6,6]2C[6])(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6,6]C[5,5,6]H)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]O)(C[5,5,6,6]C[5,6,6]2C[6])(OH)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(OC[5,5])	109.4660	0.000	1	109.4660	0.000	1	109.4660	0.000	1	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(OH)(H){2|C<3>,2|C<4>,4|H<1>}	H(OC[5,5])	109.8200	0.000	1	109.8200	0.000	1	107.9386	8.174	12	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6]H)2(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5,3x6]C[5,6]H)2(OH)(H){2|C<3>,2|C<4>,4|H<1>}	H(OC[5,5])	107.8800	0.000	1	107.8800	0.000	1	107.9386	8.174	12	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(OC[5,5])	109.4440	0.000	1	109.4440	0.000	1	107.9386	8.174	12	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]H)2(OH)(H){2|C<3>,2|H<1>}	H(OC[5,5])	109.4440	0.000	1	109.4440	0.000	1	107.9386	8.174	12	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(OC[5,5])	109.4720	0.000	1	109.4530	0.001	2	107.9386	8.174	12	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,5a,6]O[5,6]C)(C[5,5,6]N[5,5a,6]C[5,6]H)(OH)(H){1|H<1>,1|N<3>,2|N<2>}	H(OC[5,5])	109.4340	0.000	1	109.4530	0.001	2	107.9386	8.174	12	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	H(OC[5,5])	100.1280	0.000	1	100.1280	0.000	1	107.9386	8.174	12	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|C<3>,3|H<1>}	H(OC[5,5])	109.1610	0.000	1	107.5447	4.434	4	107.9386	8.174	12	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(OC[5,5])	109.4930	0.000	1	107.5447	4.434	4	107.9386	8.174	12	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(OH)(H){1|N<3>,3|H<1>}	H(OC[5,5])	105.7625	0.736	2	107.5447	4.434	4	107.9386	8.174	12	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:1:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)2(OH)(H)	H(OC[5,5])	O(C[5,5]C[5,5,6]2H)(H)	C[5,5](C[5,5,6]C[5,6]O[5,6]C)2(OH)(H){1|N<3>,3|H<1>}	H(OC[5,5])	109.4620	0.000	1	109.4620	0.000	1	107.9386	8.174	12	109.3287	8.208	35	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[4x5]C[5,5]H)(C[5]C[5,5]HH)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	H(OC[5,5])	106.0450	0.000	1	106.0450	0.000	1	108.0062	3.846	5	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(OC[5,5])	109.4190	0.000	1	108.4965	3.526	4	108.0062	3.846	5	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){1|H<1>,2|O<1>,5|C<4>}	H(OC[5,5])	105.6800	0.000	1	108.4965	3.526	4	108.0062	3.846	5	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[3x5]C[5]O[5])(H)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]N[5]CH)(O[5]C[5])(OH){2|H<1>,2|O<1>,4|C<4>}	H(OC[5,5])	109.4435	0.008	2	108.4965	3.526	4	108.0062	3.846	5	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[5,5,6,6]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,5,6,6]C[5]O[5])(H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6,6]C[5]O[5])(H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH){2|C<3>,3|C<4>,3|H<1>}	H(OC[5,5])	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]CO)(O[5]N[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]CO)(O[5]N[5])(OH){2|C<4>,3|H<1>}	H(OC[5,5])	109.4795	0.078	2	109.4795	0.006	2	106.5433	24.580	7	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(OC[5,5])	109.4030	0.000	1	109.4030	0.000	1	106.5433	24.580	7	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(O[5]C[5])(OH){1|C<3>,2|C<4>,6|H<1>}	H(OC[5,5])	99.2860	0.000	2	99.2860	0.000	2	106.5433	24.580	7	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5]O[5])(H)	C[5,5](C[5,5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(O[5]C[5])(OH){1|O<1>,3|C<4>,4|H<1>}	H(OC[5,5])	109.4345	0.006	2	109.4345	0.000	2	106.5433	24.580	7	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,5]2O[5])(H)	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,5]2O[5])(H)	C[5,5](C[5,5]C[5]2O[5])(C[5,5]C[5]O[5]H)(O[5]C[5])(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(OC[5,5])	106.3290	0.000	1	106.3290	0.000	1	106.3290	0.000	1	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-2:O-2:	O-2:	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]N[5a]C[5]2)(C[5]N[5]HH)(N[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]N[5a]C[5]2)(C[5]N[5]HH)(N[5]C[5])(OH){1|C<3>,1|O<1>,2|N<2>,3|H<1>}	H(OC[5,5])	106.2830	0.000	1	106.2830	0.000	1	107.6945	3.985	2	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-2:O-2:	O-2:	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]N[5a]C[5]2)(C[5]O[5]HH)(N[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]N[5a]C[5]2)(C[5]O[5]HH)(N[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,2|N<2>}	H(OC[5,5])	109.1060	0.000	1	109.1060	0.000	1	107.6945	3.985	2	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(OC[5,5])	109.4640	0.000	1	109.4640	0.000	1	108.9458	1.752	6	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	H(OC[5,5])	109.5100	0.663	2	109.5100	0.440	2	108.9458	1.752	6	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(O[5]C[5])(OH){3|C<4>,3|H<1>}	H(OC[5,5])	109.4740	0.000	1	109.4740	0.000	1	108.9458	1.752	6	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:2:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]O[5])(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(OH){1|H<1>,1|O<1>,3|C<4>}	H(OC[5,5])	107.8585	2.184	2	107.8585	4.771	2	108.9458	1.752	6	107.7612	9.518	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]O[5]CH)(C[5]O[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]O[5]CH)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[5,5])	120.8070	0.000	1	120.8070	0.000	1	115.1400	64.230	2	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]CH)(C[5]O[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]C[5,5]O[5]2)(C[5]C[5]CH)(C[5]O[5]O)(OH){1|H<1>,4|C<4>}	H(OC[5,5])	109.4730	0.000	1	109.4730	0.000	1	115.1400	64.230	2	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]C)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]C[5]2)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<4>,6|H<1>}	H(OC[5,5])	110.1920	3.444	2	110.1920	11.858	2	110.1920	11.858	2	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]2C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]2C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(OH){1|O<1>,3|C<4>,3|H<1>}	H(OC[5,5])	109.4900	0.000	1	109.4900	0.000	1	109.4900	0.000	1	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5,6]C[5,6]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(OC[5,5])	109.4290	0.000	2	109.4290	0.000	2	109.4290	0.000	2	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:N[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5,6]N[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5,6]N[5])(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(OH){1|C<4>,3|H<1>,4|C<3>}	H(OC[5,5])	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]H)(OH){1|C<3>,1|N<3>,4|H<1>}	H(OC[5,5])	109.4970	0.000	1	109.4970	0.000	1	109.2130	2.060	3	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]C)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]C)(OH){1|C<4>,2|H<1>}	H(OC[5,5])	110.4850	0.000	1	110.4850	0.000	1	109.2130	2.060	3	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(OH){1|C<4>,1|O<1>,2|H<1>}	H(OC[5,5])	107.6570	0.000	1	107.6570	0.000	1	109.2130	2.060	3	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]C)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]C)(OH){1|O<1>,2|N<3>,3|H<1>}	H(OC[5,5])	111.5857	5.737	3	111.5857	32.917	3	109.4680	30.020	5	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]H)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]H)(OH){1|O<1>,2|N<3>,3|H<1>}	H(OC[5,5])	103.0810	0.000	1	103.0810	0.000	1	109.4680	30.020	5	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6]CC)(N[5]C[5,6a]H)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]N[5])(H)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6]CC)(N[5]C[5,6a]H)(OH){2|C<3>,2|C<4>,2|H<1>}	H(OC[5,5])	109.5020	0.000	1	109.5020	0.000	1	109.4680	30.020	5	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH)	H(OC[5,5])	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	C[5,5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,5]C[5,6]C[5]O)(C[5]C[5]C)(OH){1|C<3>,2|H<1>,3|O<2>,5|C<4>}	H(OC[5,5])	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]C)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]C)(OH){1|C<3>,1|C<4>,7|H<1>}	H(OC[5,5])	106.0090	0.000	1	106.0090	0.000	1	107.0080	69.744	5	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]O)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2H)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,7|H<1>}	H(OC[5,5])	106.5079	11.640	3	106.5079	135.492	3	107.0080	69.744	5	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:3:2:	2:	C[5,5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]O[5,6]C[6]H)(C[5,5]C[5,6]2H)(C[5]C[5,6]N)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]O[5,6]C[6]H)(C[5,5]C[5,6]2H)(C[5]C[5,6]N)(OH){1|C<3>,3|C<4>,4|H<1>}	H(OC[5,5])	109.5070	0.000	1	109.5070	0.000	1	107.0080	69.744	5	109.4556	27.387	22	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[3x5,6]-4:C[3x5,6]-4:C-4:O-2:	O-2:	O(C[5,5]C[3x5,6]2C)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]2C)(CHHO)(OH)	H(OC[5,5])	O(C[5,5]C[3x5,6]2C)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]2C)(CHHO)(OH){3|H<1>,3|O<2>,5|C<4>}	H(OC[5,5])	106.6735	4.003	2	106.6735	16.023	2	106.6735	16.023	2	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[3x5,6]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[3x5,6]C[5]2)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5]CH)(OH)	H(OC[5,5])	O(C[5,5]C[3x5,6]C[5]2)(H)	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]C[5,5]HH)(C[5]C[5]CH)(OH){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(OC[5,5])	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[3x5]C[5,5]C[5])(H)	C[5,5](C[3x5]C[4x5]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(OH)	H(OC[5,5])	O(C[5,5]C[3x5]C[5,5]C[5])(H)	C[5,5](C[3x5]C[4x5]C[5]O[5])(C[5,5]C[5]O[5]H)(C[5]C[5]CH)(OH){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(OC[5,5])	109.4950	0.051	2	109.4950	0.003	2	109.4950	0.003	2	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[3x5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[3x5]C[5]2)(H)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(OH){1|C<4>,1|O<2>,2|H<1>,2|O<1>}	H(OC[5,5])	108.9270	0.000	1	108.9270	0.000	1	108.9270	0.000	1	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	O-2:	O(C[5,5]C[5,5,6]2C)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCHH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]2C)(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCHH)(OH){1|C<4>,1|O<2>,6|H<1>}	H(OC[5,5])	109.4715	0.028	2	109.4715	0.001	2	109.4590	0.001	3	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	O-2:	O(C[5,5]C[5,5,6]2C)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(CCHH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5,6]2C)(H)	C[5,5](C[5,5,6]C[5,6]2H)2(CCHH)(OH){1|C<4>,5|H<1>}	H(OC[5,5])	109.4340	0.000	1	109.4340	0.000	1	109.4590	0.001	3	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,5]C[5,6,6]C[5]O)(C[5,6]C[5,6,6]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(OC[5,5])	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(OC[5,5])	109.4290	0.000	1	109.4290	0.000	1	110.0618	7.152	13	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(OC[5,5])	110.6230	0.000	1	110.6230	0.000	1	110.0618	7.152	13	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5,6]HH)(C[5]C[5]HH)(OH){1|O<1>,2|C<4>,4|H<1>}	H(OC[5,5])	109.4880	0.000	1	109.4880	0.000	1	110.0618	7.152	13	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5,6a]O[5]O)(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(OH){1|C<4>,1|H<1>,4|C<3>}	H(OC[5,5])	109.4635	0.013	2	109.4635	0.000	2	110.0618	7.152	13	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){8|H<1>}	H(OC[5,5])	109.4920	0.000	1	109.4920	0.000	1	110.0618	7.152	13	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(OH){8|H<1>}	H(OC[5,5])	109.4650	0.000	1	109.4650	0.000	1	110.0618	7.152	13	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HO)(C[5]O[5]HH)(OH){1|O<1>,4|H<1>}	H(OC[5,5])	109.4340	0.000	1	109.4340	0.000	1	110.0618	7.152	13	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]CC)(OH){1|O<1>,2|C<3>,2|H<1>}	H(OC[5,5])	109.5240	0.000	1	109.5240	0.000	1	110.0618	7.152	13	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(C[5]O[5]HH)(OH){1|O<1>,2|H<1>}	H(OC[5,5])	106.8960	0.000	1	106.8960	0.000	1	110.0618	7.152	13	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]HO)(OH){1|N<3>,3|H<1>}	H(OC[5,5])	118.5480	0.000	1	118.5480	0.000	1	110.0618	7.152	13	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)2(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)2(OH){1|F<1>,1|N<3>,1|O<2>,3|H<1>}	H(OC[5,5])	109.4870	0.000	1	109.4870	0.000	1	110.0618	7.152	13	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]N[5,6]C[5]C)(C[5]C[5,5]CC)(C[5]C[5,6]HH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5]2)(H)	C[5,5](C[5,5]N[5,6]C[5]C)(C[5]C[5,5]CC)(C[5]C[5,6]HH)(OH){1|C<4>,3|C<3>,3|H<1>}	H(OC[5,5])	109.4900	0.000	1	109.4900	0.000	1	110.0618	7.152	13	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]CH)(OH)	H(OC[5,5])	O(C[5,5]C[5,6,6]C[5,5]C[5])(H)	C[5,5](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]CH)(OH){1|C<3>,1|N<3>,4|C<4>,8|H<1>}	H(OC[5,5])	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,5]	H	4:1:	4:4:4:2:	2:	C[5,5]-4:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(OH)	H(OC[5,5])	O(C[5,5]C[5,5]C[5,6]C[5])(H)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5,5]CH)(OH){2|H<1>,2|O<2>,3|C<4>}	H(OC[5,5])	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	109.5854	5.149	25	108.7972	8.444	276	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	3:3:3:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6]-3:O-2:	O-2:	O(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(H)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(H)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6])(C[5,6]C[5]C[6])(OH){1|C<4>,3|H<1>,5|C<3>}	H(OC[5,6,6])	109.5035	0.022	2	109.5035	0.000	2	109.5035	0.000	2	107.2810	14.819	3	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	3:3:3:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	O-2:	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(OH){1|O<2>,4|C<3>,4|C<4>}	H(OC[5,6,6])	102.8360	0.000	1	102.8360	0.000	1	102.8360	0.000	1	107.2810	14.819	3	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	3:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(OC[5,6,6])	106.4940	0.462	3	106.3747	6.612	6	106.3747	6.612	6	106.3747	6.612	6	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	3:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<4>,4|C<4>,4|H<1>}	H(OC[5,6,6])	108.5830	0.204	2	106.3747	6.612	6	106.3747	6.612	6	106.3747	6.612	6	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	3:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-3:C[3x6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[3x6]C[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,3x6]C[6]H)(C[5,6]C[5,5,6]HH)(OH){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	H(OC[5,6,6])	101.6000	0.000	1	106.3747	6.612	6	106.3747	6.612	6	106.3747	6.612	6	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:3:2:2:	2:	C[5,6,6]-4:H-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:O-2:	O-2:	O(C[5,6,6]C[5,4x6]C[6,6]O[5])(H)	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,4x6]C[6,6]O[5])(H)	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH){2|C<3>,3|H<1>,6|C<4>}	H(OC[5,6,6])	105.3730	0.000	1	105.3730	0.000	1	105.3730	0.000	1	105.3730	0.000	1	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:3:4:2:	2:	C[5,6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:O-2:	O-2:	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,4|O<2>}	H(OC[5,6,6])	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	106.1604	33.120	3	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:3:4:2:	2:	C[5,6,6]-4:H-1:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:O-2:	O-2:	O(C[5,6,6]C[5,5,6]C[6,6]N[5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,5,6]C[6,6]N[5,6])(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(OH){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	H(OC[5,6,6])	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	106.1604	33.120	3	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:3:4:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[6,6]N[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5,6]C[6])(C[6,6]C[6]2C)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[6,6]N[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5,6]C[6])(C[6,6]C[6]2C)(OH){2|N<3>,3|C<3>,7|H<1>}	H(OC[5,6,6])	99.5151	0.000	1	99.5151	0.000	1	99.5151	0.000	1	106.1604	33.120	3	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:2:1:	2:	C[5,6,6]-4:H-1:	C[4,5,6,6]-4:C[5,5,6,6]-4:O-2:H-1:	O-2:	O(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)(H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]C[6a])(C[5,5,6,6]C[5,6,6]O[5,5]O)(OH)(H)	H(OC[5,6,6])	O(C[5,6,6]C[4,5,6,6]C[5,5,6,6]H)(H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]C[6a])(C[5,5,6,6]C[5,6,6]O[5,5]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(OC[5,6,6])	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:2:2:	2:	C[5,6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:N[5]-2:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[3x6]N[5])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]C)(N[5]C[5])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[3x6]N[5])(H)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]O[5]C)(N[5]C[5])(OH){2|C<3>,2|C<4>,3|H<1>}	H(OC[5,6,6])	109.4430	0.000	1	109.4430	0.000	1	109.4430	0.000	1	109.4756	1.706	12	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:2:2:	2:	C[5,6,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:O-2:	O-2:	O(C[5,6,6]C[5,3x6]C[5,6,6]O[5])(H)	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]C)(O[5]C[5,5])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,3x6]C[5,6,6]O[5])(H)	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]O[5]C)(O[5]C[5,5])(OH){2|C<3>,3|C<4>,3|O<2>}	H(OC[5,6,6])	109.4420	0.000	1	109.4420	0.000	1	109.4420	0.000	1	109.4756	1.706	12	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:2:2:	2:	C[5,6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:O-2:	O-2:	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[5,3x6]HO)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	H(OC[5,6,6])	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	109.4756	1.706	12	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:2:2:	2:	C[5,6,6]-4:H-1:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	O-2:	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH){1|H<1>,1|O<2>,6|C<4>}	H(OC[5,6,6])	111.4850	0.000	1	111.0340	0.407	2	111.0340	0.407	2	109.4756	1.706	12	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:2:2:	2:	C[5,6,6]-4:H-1:	C[5,5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	O-2:	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,5,6]C[3x5,6]C[5]C)(C[6,6]C[5,6,6]HH)(O[5,6]C[5,5,6,6])(OH){2|O<2>,6|C<4>}	H(OC[5,6,6])	110.5830	0.000	1	111.0340	0.407	2	111.0340	0.407	2	109.4756	1.706	12	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:2:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:O-2:	O-2:	O(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]C[5,6,6])(OH){1|C<3>,4|C<4>,4|H<1>}	H(OC[5,6,6])	105.8690	0.000	1	105.8690	0.000	1	105.8690	0.000	1	109.4756	1.706	12	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:2:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6,6]C)(O[5,6]C[5,6,6])(OH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(OC[5,6,6])	109.4500	0.000	1	109.4500	0.000	1	109.4630	0.000	2	109.4756	1.706	12	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:2:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6,6])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6,6])(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(OC[5,6,6])	109.4760	0.000	1	109.4760	0.000	1	109.4630	0.000	2	109.4756	1.706	12	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:2:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O[6]-2:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[5,6]O[6])(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[5,6]O[6])(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(OC[5,6,6])	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	109.4756	1.706	12	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:2:2:	2:	C[5,6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	O-2:	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,6]C[5,5,6]CH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(OH){1|H<1>,1|O<2>,3|C<4>}	H(OC[5,6,6])	109.4195	0.077	2	109.4195	0.006	2	109.4263	0.003	3	109.4756	1.706	12	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:2:2:	2:	C[5,6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:O-2:	O-2:	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)	C[5,6,6](C[5,6]C[6,6]O[5]H)(C[6,6]C[6,6]CH)(O[5,6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	H(OC[5,6,6])	109.4400	0.000	1	109.4400	0.000	1	109.4263	0.003	3	109.4756	1.706	12	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[4,5,6,6]-4:C[5,5,6,6]-4:C[6a]-3:O-2:	O-2:	O(C[5,6,6]C[4,5,6,6]C[5,5,6,6]C[6a])(H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[4,5,6,6]C[5,5,6,6]C[6a])(H)	C[5,6,6](C[4,5,6,6]C[4,5,5,6]O[4,6]H)(C[5,5,6,6]C[5,6,6]O[5,5]O)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(OC[5,6,6])	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	O-2:	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	C[5,6,6](C[5,3x6]C[4x6]C[5,6]O)(C[3x6]C[6,6]O[6,6]H)(C[5]C[5]H)(OH){2|C<4>,2|H<1>,3|C<3>}	H(OC[5,6,6])	109.4660	0.000	1	109.4660	0.000	1	109.4790	0.000	3	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:O-2:	O-2:	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[3x6]C[3x6]O[6]2)(C[5]C[5]C[6])(OH){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	H(OC[5,6,6])	109.4855	0.015	2	109.4855	0.000	2	109.4790	0.000	3	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:O-2:	O-2:	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH){1|C<4>,2|H<1>,2|O<1>,7|C<3>}	H(OC[5,6,6])	109.4930	0.000	1	109.4930	0.000	1	109.4806	0.001	5	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6a]-3:O-2:	O-2:	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(OH){1|C<4>,2|H<1>,2|O<1>,7|C<3>}	H(OC[5,6,6])	109.4775	0.026	4	109.4775	0.001	4	109.4806	0.001	5	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	O-2:	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6]C[6,6]2)(C[6,6]C[3x6]HH)(C[5]C[5]O)(OH){1|N<3>,4|C<4>,6|H<1>}	H(OC[5,6,6])	109.4830	0.000	1	109.4830	0.000	1	109.4830	0.000	1	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:O-2:	O-2:	O(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,5,3x6]C[3x5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]O)(OH){3|C<3>,3|H<1>,4|C<4>}	H(OC[5,6,6])	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	O-2:	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH){1|C<3>,2|H<1>,4|C<4>}	H(OC[5,6,6])	109.4805	0.039	2	109.4805	0.002	2	109.4805	0.002	2	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:O-2:	O-2:	O(C[5,6,6]C[5,6,6]2C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]C)(C[6]C[6]O)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]2C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]C)(C[6]C[6]O)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(OC[5,6,6])	105.1770	0.000	1	105.1770	0.000	1	105.1770	0.000	1	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|I<1>,1|O<2>,5|H<1>}	H(OC[5,6,6])	107.4730	0.000	1	108.1390	0.887	2	108.1390	0.887	2	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	H(OC[5,6,6])	108.8050	0.000	1	108.1390	0.887	2	108.1390	0.887	2	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[5,6]N[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[5,6]N[5,6])(H)	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH){1|C<3>,6|C<4>,9|H<1>}	H(OC[5,6,6])	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6,6]-3:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[5,6]2)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[5,6]2)(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(C[5,6,6]C[5,6]2)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(OC[5,6,6])	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	O-2:	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH){6|C<4>}	H(OC[5,6,6])	109.4980	0.000	1	109.4980	0.000	1	108.3610	2.586	2	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:3:2:	2:	C[5,6,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	O-2:	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH){1|C<3>,4|H<1>,5|C<4>}	H(OC[5,6,6])	107.2240	0.000	1	107.2240	0.000	1	108.3610	2.586	2	108.9967	1.242	20	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[3x6]C[5])(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[3x6]C[5])(H)	C[5,6,6](C[3x6]C[6,6]O[6,6]H)(C[5,6,6]C[4x6]O[5]H)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,4|H<1>}	H(OC[5,6,6])	109.4585	0.016	2	109.4585	0.000	2	109.4585	0.000	2	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:O-2:	O-2:	O(C[5,6,6]C[5,3x6]C[5,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,3x6]C[5,6]C[6,6])(H)	C[5,6,6](C[5,3x6]C[5,5,6]C[6,6]C[6])(C[5,6]C[3,5]C[6]H)(C[6,6]C[6,6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<3>,5|C<4>,6|H<1>}	H(OC[5,6,6])	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	O-2:	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,5,6]HO)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	H(OC[5,6,6])	109.9840	0.000	1	109.9840	0.000	1	109.5493	0.046	6	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	O-2:	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,1|O<2>,4|C<4>,8|H<1>}	H(OC[5,6,6])	109.4635	0.020	4	109.4624	0.000	5	109.5493	0.046	6	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,3x6]-4:C[5]-4:C[6,6]-4:O-2:	O-2:	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6,6]C[6]2C)(OH){1|N<3>,2|O<2>,4|C<4>,7|H<1>}	H(OC[5,6,6])	109.4580	0.000	1	109.4624	0.000	5	109.5493	0.046	6	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,5,6]HH)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,5,6]HH)(OH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(OC[5,6,6])	109.4515	0.085	4	109.4515	0.007	4	109.4515	0.007	4	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	H(OC[5,6,6])	110.8870	0.000	1	109.7867	13.973	3	109.7867	13.973	3	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(OH){3|O<2>,4|C<4>,5|H<1>}	H(OC[5,6,6])	109.2365	5.112	2	109.7867	13.973	3	109.7867	13.973	3	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]CC)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,8|H<1>}	H(OC[5,6,6])	109.4835	0.045	2	109.4835	0.002	2	109.4780	0.001	3	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,5|H<1>}	H(OC[5,6,6])	109.4670	0.000	1	109.4670	0.000	1	109.4780	0.001	3	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:O-2:	O-2:	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]C[5]C)(C[5,3x6]C[6,6]2C[5])(C[5]C[5]HH)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6,6](C[5,6,6]C[5,3x6]C[5]C)(C[5,3x6]C[6,6]2C[5])(C[5]C[5]HH)(OH){1|C<3>,2|O<2>,3|C<4>,8|H<1>}	H(OC[5,6,6])	111.9280	0.000	1	111.9280	0.000	1	111.9280	0.000	1	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6,6]C[5,6,6]2C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]2C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(OC[5,6,6])	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]CH)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]CH)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(OC[5,6,6])	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[5,5]C[6]O[6])(C[5,6]C[5,5]C[6]C)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,3|O<2>,5|H<1>}	H(OC[5,6,6])	109.4910	0.000	1	109.4910	0.000	1	110.2148	2.873	8	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]C)(C[6]C[6]HO)(OH){2|C<4>,2|O<2>,5|H<1>}	H(OC[5,6,6])	109.4880	0.000	1	109.4880	0.000	1	110.2148	2.873	8	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(OC[5,6,6])	111.5310	2.356	3	110.6524	4.390	5	110.2148	2.873	8	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[6]C[6]CC)(OH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(OC[5,6,6])	109.3345	0.817	2	110.6524	4.390	5	110.2148	2.873	8	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){1|O<2>,4|C<4>,7|H<1>}	H(OC[5,6,6])	109.4770	0.000	1	109.4770	0.000	1	110.2148	2.873	8	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:O-2:	O-2:	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(OH){1|C<3>,4|C<4>,9|H<1>}	H(OC[5,6,6])	104.2035	0.527	2	104.2035	0.278	2	104.2035	0.278	2	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5,3x6]C[5]H)(C[6,6]C[5,6]C[6]O)(C[5,6]C[5,6]HO)(OH){5|C<4>,6|H<1>}	H(OC[5,6,6])	109.5890	0.000	1	109.5890	0.000	1	109.5890	0.000	1	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6,6]	H	4:1:	4:4:4:2:	2:	C[5,6,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH)	H(OC[5,6,6])	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(OC[5,6,6])	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	109.4525	3.481	34	108.8549	4.835	80	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	2:3:3:2:	2:	C[5,6]-4:H-1:	O[5,6]-2:C[5]-3:C[6]-3:O-2:	O-2:	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH)	H(OC[5,6])	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH){2|H<1>,3|C<4>}	H(OC[5,6])	106.1375	2.201	2	106.1375	4.845	2	106.1375	4.845	2	106.1375	4.845	2	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	2:4:3:2:	2:	C[5,6]-4:H-1:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH)	H(OC[5,6])	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<3>,2|C<4>,2|H<1>}	H(OC[5,6])	104.7085	0.641	2	104.7085	0.411	2	107.0665	7.551	4	107.0665	7.551	4	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	2:4:3:2:	2:	C[5,6]-4:H-1:	O[5,6]-2:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH)	H(OC[5,6])	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[5,6])	109.4245	0.018	2	109.4245	0.000	2	107.0665	7.551	4	107.0665	7.551	4	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	2:4:4:2:	2:	C[5,6]-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	H(OC[5,6])	109.4750	0.000	1	109.4750	0.000	2	109.4807	0.001	6	109.4807	0.001	6	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	2:4:4:2:	2:	C[5,6]-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]CC)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	H(OC[5,6])	109.4750	0.000	1	109.4750	0.000	2	109.4807	0.001	6	109.4807	0.001	6	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	2:4:4:2:	2:	C[5,6]-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[5,6])	109.5200	0.000	1	109.4903	0.001	3	109.4807	0.001	6	109.4807	0.001	6	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	2:4:4:2:	2:	C[5,6]-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|Si<4>,2|C<4>,3|H<1>}	H(OC[5,6])	109.4755	0.040	2	109.4903	0.001	3	109.4807	0.001	6	109.4807	0.001	6	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	2:4:4:2:	2:	C[5,6]-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(OH)	H(OC[5,6])	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]CC)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(OC[5,6])	109.4630	0.000	1	109.4630	0.000	1	109.4807	0.001	6	109.4807	0.001	6	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:3:3:2:	2:	C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	O-2:	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(H)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6a]C[5,6a]C[5,6])(H)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OH){1|C<4>,1|N<2>,1|O<2>,6|C<3>}	H(OC[5,6])	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	108.9507	1.440	11	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:3:3:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:O-2:	O-2:	O(C[5,6]C[5,6a]C[5a,6]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5a,6]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(OC[5,6])	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	108.9507	1.440	11	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:3:3:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	O-2:	O(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(OC[5,6])	108.9172	1.138	4	108.8352	1.718	9	108.8352	1.718	9	108.9507	1.440	11	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:3:3:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	O-2:	O(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(OC[5,6])	108.7696	1.566	5	108.8352	1.718	9	108.8352	1.718	9	108.9507	1.440	11	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:3:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6a]C[5,6a]C[6])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6a]C[5,6a]C[6])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)(OH){1|C<4>,3|H<1>,4|C<3>}	H(OC[5,6])	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	108.6319	2.234	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:3:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6,6a]C[6,6a]C[5])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6a]C[6,6a]C[5])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]O[5]H)(OH){1|O<2>,7|C<3>}	H(OC[5,6])	106.9675	0.685	2	106.9675	0.469	2	106.9675	0.469	2	108.6319	2.234	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:3:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-3:C[6]-3:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH){2|H<1>,3|C<3>}	H(OC[5,6])	109.4915	0.053	2	109.4915	0.003	2	109.4915	0.003	2	108.6319	2.234	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:3:4:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[4x6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[4x6]HH)(OH){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(OC[5,6])	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	108.6319	2.234	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:3:4:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6a]N[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]N[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(OH){1|O<1>,3|H<1>,4|C<3>}	H(OC[5,6])	109.4410	0.000	1	109.4410	0.000	1	109.4910	0.002	3	108.6319	2.234	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:3:4:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6a]N[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]N[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(OC[5,6])	109.5150	0.000	1	109.5160	0.000	2	109.4910	0.002	3	108.6319	2.234	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:3:4:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6a]N[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]N[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(OC[5,6])	109.5170	0.000	1	109.5160	0.000	2	109.4910	0.002	3	108.6319	2.234	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:3:4:2:	2:	C[5,6]-4:H-1:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	O-2:	O(C[5,6]N[5,6]C[5]C[6])(H)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]N[5,6]C[5]C[6])(H)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OH){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	H(OC[5,6])	109.4480	0.000	1	109.4480	0.000	1	107.5665	4.770	4	108.6319	2.234	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:3:4:2:	2:	C[5,6]-4:H-1:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	O-2:	O(C[5,6]N[5,6]C[5]C[6])(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]CC)(OH)	H(OC[5,6])	O(C[5,6]N[5,6]C[5]C[6])(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]CC)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(OC[5,6])	106.9393	2.190	3	106.9393	4.796	3	107.5665	4.770	4	108.6319	2.234	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:3:4:2:	2:	C[5,6]-4:H-1:	N[5,6]-3:C[6]-3:C[5]-4:O-2:	O-2:	O(C[5,6]N[5,6]C[5]C[6])(H)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]N[5,6]C[5]C[6])(H)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(OC[5,6])	109.4395	0.009	2	109.4395	0.000	2	109.4395	0.000	2	108.6319	2.234	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(OC[5,6])	109.4470	0.000	1	109.4470	0.000	1	109.0517	0.768	13	108.5160	3.584	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(O[5]C[5])(OH){1|O<1>,2|C<4>,4|H<1>}	H(OC[5,6])	109.4060	0.000	1	109.4060	0.000	1	109.0517	0.768	13	108.5160	3.584	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(OC[5,6])	107.3925	1.190	2	108.9835	0.888	11	109.0517	0.768	13	108.5160	3.584	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(OC[5,6])	109.1647	0.552	4	108.9835	0.888	11	109.0517	0.768	13	108.5160	3.584	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(OC[5,6])	109.5670	0.000	1	108.9835	0.888	11	109.0517	0.768	13	108.5160	3.584	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(OC[5,6])	109.6040	0.171	2	108.9835	0.888	11	109.0517	0.768	13	108.5160	3.584	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]HH)(O[5]C[5])(OH){1|O<1>,2|H<1>,4|C<4>}	H(OC[5,6])	109.3000	0.132	2	108.9835	0.888	11	109.0517	0.768	13	108.5160	3.584	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]O[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]O[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(OH){1|O<1>,2|H<1>,5|C<3>}	H(OC[5,6])	108.1765	1.043	2	108.1765	1.088	2	108.1765	1.088	2	108.5160	3.584	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:2:2:	2:	C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[6,6a]C[5,6]O[5])(H)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[6,6a]C[5,6]O[5])(H)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH){3|C<3>,3|C<4>,4|H<1>}	H(OC[5,6])	102.2310	0.000	1	102.2310	0.000	1	102.2310	0.000	1	108.5160	3.584	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(C[5]O[5]O)(OH){2|C<4>,4|H<1>}	H(OC[5,6])	109.4690	0.023	2	109.4690	0.001	2	109.4690	0.001	2	108.9873	2.983	12	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(OC[5,6])	103.8140	0.000	1	103.8140	0.000	1	107.1143	8.675	3	108.9873	2.983	12	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(OH){4|H<1>,6|C<3>}	H(OC[5,6])	109.4760	0.000	1	109.4760	0.000	1	107.1143	8.675	3	108.9873	2.983	12	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH){1|C<4>,3|C<3>,5|H<1>}	H(OC[5,6])	108.0530	0.000	1	108.0530	0.000	1	107.1143	8.675	3	108.9873	2.983	12	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[5]C[6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]N[5,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	H(OC[5,6])	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	108.9873	2.983	12	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]N[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]N[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(OC[5,6])	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	108.9873	2.983	12	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:3:2:	2:	C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]N[5]O)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(OC[5,6])	109.4620	0.000	1	109.4620	0.000	1	109.4713	0.000	3	108.9873	2.983	12	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:3:2:	2:	C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH)	H(OC[5,6])	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(OH){1|C<4>,2|H<1>,5|C<3>}	H(OC[5,6])	109.4870	0.000	1	109.4870	0.000	1	109.4713	0.000	3	108.9873	2.983	12	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:3:2:	2:	C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	H(OC[5,6])	109.4650	0.000	1	109.4650	0.000	1	109.4713	0.000	3	108.9873	2.983	12	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:3:2:	2:	C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:O-2:	O-2:	O(C[5,6]C[6,6a]C[5,6]N[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]N[5]O)(N[5]C[5]H)(OH)	H(OC[5,6])	O(C[5,6]C[6,6a]C[5,6]N[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]N[5]O)(N[5]C[5]H)(OH){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(OC[5,6])	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	108.9873	2.983	12	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:3:2:	2:	C[5,6]-4:H-1:	N[6,6]-3:C[5,6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]N[6,6]C[5])(H)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]N[6,6]C[5])(H)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(OC[5,6])	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	108.9873	2.983	12	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-3:C[3,5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[3,5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[3,5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6,6]HH)(OH){1|C<3>,4|C<4>,4|H<1>}	H(OC[5,6])	109.5260	0.000	1	109.5260	0.000	1	109.5260	0.000	1	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6a]-3:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6,6a]C[5,6]C[5])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6a]C[5,6]C[5])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(OH){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(OC[5,6])	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(OC[5,6])	106.2250	0.000	1	106.2250	0.000	1	106.2250	0.000	1	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]BrN)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]BrN)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	H(OC[5,6])	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3]C[6]H)(C[5]C[5]CC)(OH){1|C<3>,2|C<4>,7|H<1>}	H(OC[5,6])	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(OC[5,6])	108.1620	0.000	1	108.1620	0.000	1	104.2076	46.153	5	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH){1|O<2>,1|S<4>,3|H<1>,4|C<3>}	H(OC[5,6])	109.4710	0.000	1	109.4710	0.000	1	104.2076	46.153	5	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(OC[5,6])	97.4839	5.742	2	97.4839	32.968	2	104.2076	46.153	5	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(OC[5,6])	108.4370	0.000	1	108.4370	0.000	1	104.2076	46.153	5	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(OH){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	H(OC[5,6])	103.7940	0.000	1	103.7940	0.000	1	108.6770	4.637	7	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(OC[5,6])	109.5025	0.037	2	109.4908	0.001	6	108.6770	4.637	7	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]C[6,6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(OH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	H(OC[5,6])	109.4850	0.040	4	109.4908	0.001	6	108.6770	4.637	7	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[4x6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[4x6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<2>,4|C<4>,6|H<1>}	H(OC[5,6])	109.4520	0.000	1	109.4520	0.000	1	107.7997	21.320	5	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	H(OC[5,6])	107.3866	5.224	4	107.3866	27.289	4	107.7997	21.320	5	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,6]C[6,6a]C[5,6]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH)	H(OC[5,6])	O(C[5,6]C[6,6a]C[5,6]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(OH){1|O<2>,2|C<4>,5|C<3>,8|H<1>}	H(OC[5,6])	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH)	H(OC[5,6])	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HO)(C[5]C[5]CH)(OH){1|H<1>,2|O<2>,4|C<3>}	H(OC[5,6])	107.4515	2.955	2	107.4515	8.732	2	109.3137	9.507	4	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<3>,5|H<1>}	H(OC[5,6])	112.8960	0.000	1	112.8960	0.000	1	109.3137	9.507	4	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH)	H(OC[5,6])	O(C[5,6]C[6,6a]C[5,6]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]C)(OH){1|C<4>,5|C<3>,5|H<1>}	H(OC[5,6])	109.4560	0.000	1	109.4560	0.000	1	109.3137	9.507	4	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	3:4:4:2:	2:	C[5,6]-4:H-1:	N[5,5,6]-3:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]N[5,5,6]C[5]C[6])(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]N[5,5,6]C[5]C[6])(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(OC[5,6])	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	107.9758	16.143	28	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:2:2:1:	2:	C[5,6]-4:H-1:	C[5,5,3x6]-4:O[5,6]-2:O-2:H-1:	O-2:	O(C[5,6]C[5,5,3x6]O[5,6]H)(H)	C[5,6](C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)(O[5,6]C[4x5,6,6])(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,3x6]O[5,6]H)(H)	C[5,6](C[5,5,3x6]C[3x5,3x6]C[5,4x6]H)(O[5,6]C[4x5,6,6])(OH)(H){2|H<1>,4|C<4>}	H(OC[5,6])	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:2:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:O[5]-2:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH){4|C<3>}	H(OC[5,6])	109.4900	0.000	1	109.4900	0.000	1	109.4900	0.000	1	109.4943	0.000	3	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:2:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:O[6]-2:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(O[6]C[6,6a])(C[5]N[5]O)(OH){1|H<1>,1|O<1>,4|C<3>}	H(OC[5,6])	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	109.4943	0.000	3	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:2:3:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:O[5,6]-2:C[5]-3:O-2:	O-2:	O(C[5,6]C[6,6]O[5,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH)	H(OC[5,6])	O(C[5,6]C[6,6]O[5,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]H)(OH){2|C<3>,2|C<4>,4|H<1>}	H(OC[5,6])	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	109.4943	0.000	3	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:2:4:2:	2:	C[5,6]-4:H-1:	C[3,5]-4:O[5,6]-2:C[6]-4:O-2:	O-2:	O(C[5,6]C[3,5]O[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]C[6]CC)(OH)	H(OC[5,6])	O(C[5,6]C[3,5]O[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(C[6]C[6]CC)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(OC[5,6])	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	109.4601	0.018	10	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:2:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:O[5,6]-2:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,5,6]O[5,6]C[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(O[5,6]C[5,6])(C[5]C[5]CO)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]O[5,6]C[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(O[5,6]C[5,6])(C[5]C[5]CO)(OH){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(OC[5,6])	109.4805	0.042	2	109.4805	0.002	2	109.4805	0.002	2	109.4601	0.018	10	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:2:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:O[5,6]-2:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]O[5,6]C[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]O[5,6]C[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[5])(O[5,6]C[5,6,6])(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,1|O<1>,4|C<4>,4|H<1>}	H(OC[5,6])	109.4560	0.000	1	109.4560	0.000	1	109.4560	0.000	1	109.4601	0.018	10	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:2:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	H(OC[5,6])	109.7690	0.000	1	109.7690	0.000	1	109.5375	0.025	4	109.4601	0.018	10	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:2:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){1|C<3>,4|C<4>,5|H<1>}	H(OC[5,6])	109.4730	0.038	2	109.4603	0.001	3	109.5375	0.025	4	109.4601	0.018	10	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:2:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:O[5]-2:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(O[5]C[5,6,6])(C[6]C[6]HH)(OH){4|C<4>,6|H<1>}	H(OC[5,6])	109.4350	0.000	1	109.4603	0.001	3	109.5375	0.025	4	109.4601	0.018	10	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:2:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]O[5,6]C[5])(H)	C[5,6](C[5,6]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]O[5,6]C[5])(H)	C[5,6](C[5,6]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[5]C[5,6]HH)(OH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(OC[5,6])	109.2820	0.000	2	109.2820	0.000	2	109.2820	0.000	2	109.4601	0.018	10	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:2:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,5,6]C[6]O[5])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[6]O[5])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(OC[5,6])	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	106.5055	46.417	13	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:2:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	H(OC[5,6])	107.6557	10.102	3	107.6557	102.060	3	107.3872	54.329	5	106.5055	46.417	13	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:2:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O[5]C[5])(OH){1|O<1>,3|H<1>,4|C<4>}	H(OC[5,6])	109.5000	0.000	1	109.5000	0.000	1	107.3872	54.329	5	106.5055	46.417	13	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:2:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH){1|O<2>,4|C<4>,4|H<1>}	H(OC[5,6])	104.4690	0.000	1	104.4690	0.000	1	107.3872	54.329	5	106.5055	46.417	13	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-3:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]2O[5])(H)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]2O[5])(H)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	H(OC[5,6])	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	106.5055	46.417	13	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-3:O[6]-2:O-2:	O-2:	O(C[5,6]C[5,6]2O[6])(H)	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]2O[6])(H)	C[5,6](C[5,6]C[6]2O[5])(C[5,6]C[5]C[6])(O[6]O[6])(OH){1|O<1>,4|C<4>,4|H<1>}	H(OC[5,6])	102.7660	0.000	1	102.7660	0.000	1	102.7660	0.000	1	106.5055	46.417	13	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:N[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]N[5])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(N[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]N[5])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(N[5]C[5])(OH){1|C<3>,3|C<4>}	H(OC[5,6])	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	106.5055	46.417	13	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:N[5,6]-3:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]N[5,6]O[5])(H)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]N[5,6]O[5])(H)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(OC[5,6])	99.6739	13.849	2	99.6739	191.808	2	99.6739	191.808	2	106.5055	46.417	13	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:2:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-3:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]O[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]O[5])(H)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6])(O[5]C[5])(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(OC[5,6])	109.4860	0.000	2	109.4860	0.000	2	109.4860	0.000	2	106.5055	46.417	13	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:3:2:	2:	C[5,6]-4:H-1:	C[5,3x6]-4:C[5]-3:N[6]-3:O-2:	O-2:	O(C[5,6]C[5,3x6]C[5]N[6])(H)	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH)	H(OC[5,6])	O(C[5,6]C[5,3x6]C[5]N[6])(H)	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(OC[5,6])	109.4505	0.023	2	109.4505	0.001	2	109.4505	0.001	2	109.5593	0.855	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	H(OC[5,6])	109.4810	0.000	1	109.4810	0.000	1	109.4573	0.001	3	109.5593	0.855	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,3|H<1>}	H(OC[5,6])	109.4455	0.039	2	109.4455	0.002	2	109.4573	0.001	3	109.5593	0.855	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:3:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH){1|C<3>,2|C<4>,5|H<1>}	H(OC[5,6])	110.5740	0.000	1	110.5740	0.000	1	110.5740	0.000	1	109.5593	0.855	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6,6]-3:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[5,6,6]C[5,6,6]2)(C[5]C[5,6]O)(OH){1|O<2>,2|C<4>,7|C<3>}	H(OC[5,6])	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	109.5593	0.855	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]2)(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]2)(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>,6|C<3>}	H(OC[5,6])	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	109.5593	0.855	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:O-2:	O-2:	O(C[5,6]C[5,6a]C[5,6]N[5,6])(H)	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6a]C[5,6]N[5,6])(H)	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(OC[5,6])	108.6275	0.950	2	108.6275	0.902	2	108.6275	0.902	2	109.5593	0.855	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH){2|C<4>,5|H<1>}	H(OC[5,6])	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1	109.5593	0.855	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-3:N[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]O)(C[6,6]C[6,6]C[6])(N[5]C[5]H)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]O)(C[6,6]C[6,6]C[6])(N[5]C[5]H)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(OC[5,6])	109.4690	0.000	1	109.4690	0.000	1	109.4690	0.000	1	109.5593	0.855	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[5,6])	109.4860	0.000	1	109.4860	0.000	1	109.4830	0.000	2	109.5593	0.855	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5,6])	109.4800	0.000	1	109.4800	0.000	1	109.4830	0.000	2	109.5593	0.855	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:3:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)(OH){3|C<4>,6|H<1>}	H(OC[5,6])	109.6860	0.000	1	109.6860	0.000	1	109.6860	0.000	1	109.5593	0.855	15	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:4:2:	2:	C[5,6]-4:H-1:	C[4,6]-4:C[5,6]-3:C[5]-4:O-2:	O-2:	O(C[5,6]C[4,6]C[5,6]C[5])(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH)	H(OC[5,6])	O(C[5,6]C[4,6]C[5,6]C[5])(H)	C[5,6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(OH){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(OC[5,6])	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	109.0490	7.017	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6a]C[6])(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6a]C[6])(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(OC[5,6])	110.8270	2.349	3	110.8270	5.516	3	110.8270	5.516	3	109.0490	7.017	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,5,6]C[6,6]C[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[6,6]C[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	H(OC[5,6])	109.4710	0.048	3	109.4710	0.002	3	109.4710	0.002	3	109.0490	7.017	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6,6a]O)(C[5]O[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6,6a]O)(C[5]O[5]HH)(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(OC[5,6])	107.5710	0.000	1	107.5710	0.000	1	108.8557	1.239	3	109.0490	7.017	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6a]C[6])(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6a]C[6])(C[5]C[5]HH)(OH){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	H(OC[5,6])	109.4980	0.040	2	109.4980	0.002	2	108.8557	1.239	3	109.0490	7.017	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5,6a]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6a]C[6])(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	H(OC[5,6])	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.0490	7.017	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]O)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	H(OC[5,6])	104.9570	6.869	2	104.9570	47.181	2	104.9570	47.181	2	109.0490	7.017	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH){1|O<2>,4|C<4>,4|H<1>}	H(OC[5,6])	109.4870	0.000	1	109.4870	0.000	1	109.4695	0.001	2	109.0490	7.017	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH){1|C<3>,1|C<4>,4|H<1>}	H(OC[5,6])	109.4520	0.000	1	109.4520	0.000	1	109.4695	0.001	2	109.0490	7.017	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:3:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6]N[5])(H)	C[5,6](C[5,6]C[6]S[5]C)(N[5]C[6a]C[5])(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]N[5])(H)	C[5,6](C[5,6]C[6]S[5]C)(N[5]C[6a]C[5])(C[6]C[6]HH)(OH){1|C<4>,1|H<1>,1|O<1>,1|S<1>,3|C<3>}	H(OC[5,6])	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.0490	7.017	16	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[3x5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[3x5,6]C[5,5,6]H)(H)	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[3x5,6]C[5,5,6]H)(H)	C[5,6](C[3x5,6]C[3x5,6]N[5,5]O[5])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|S<4>,2|H<1>,6|C<4>}	H(OC[5,6])	103.2100	0.000	1	103.2100	0.000	1	103.2100	0.000	1	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[3x5,6]-4:C[5,6,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[3x5,6]C[5,6,6]H)(H)	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[3x5,6]C[5,6,6]H)(H)	C[5,6](C[3x5,6]C[4x5,6,6]C[5,5,6,6]H)(C[5,6,6]C[3x5,3x6]C[6]H)(OH)(H){2|H<1>,3|C<3>,4|C<4>}	H(OC[5,6])	109.4730	0.000	1	109.4730	0.000	1	109.4730	0.000	1	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[4,4x5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[4,4x5,6]C[5,6]H)(H)	C[5,6](C[4,4x5,6]C[4,5,5,6,6]C[4x5,6]C[4,5])(C[5,6]C[5,5,6,6]HH)(OH)(H)	H(OC[5,6])	O(C[5,6]C[4,4x5,6]C[5,6]H)(H)	C[5,6](C[4,4x5,6]C[4,5,5,6,6]C[4x5,6]C[4,5])(C[5,6]C[5,5,6,6]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	H(OC[5,6])	105.9000	0.000	1	105.9000	0.000	1	105.9000	0.000	1	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[4,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[4,5,6]C[5,6]H)(H)	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[4,5,6]C[5,6]H)(H)	C[5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6]C[5]C[6]H)(OH)(H){1|Cl<1>,3|C<4>,4|H<1>}	H(OC[5,6])	109.4517	0.036	3	109.4517	0.001	3	109.4517	0.001	3	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(OC[5,6])	109.4860	0.000	1	107.7451	34.311	7	107.7451	34.311	7	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(OC[5,6])	108.0596	7.675	4	107.7451	34.311	7	107.7451	34.311	7	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	H(OC[5,6])	102.9870	0.000	1	107.7451	34.311	7	107.7451	34.311	7	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,3x6]C[5,6]H)(H)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[5,6]C[5]C[6]H)(OH)(H){2|O<1>,2|O<2>,3|C<4>,3|H<1>}	H(OC[5,6])	109.5040	0.000	1	107.7451	34.311	7	107.7451	34.311	7	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6,6]C[3x5,6]N[5,6]O[6])(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|S<4>,2|H<1>,6|C<4>}	H(OC[5,6])	105.2570	0.000	1	105.2570	0.000	1	107.3895	9.095	2	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]2)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6,6]C[5,5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,5,6]C[5,5,6]C[5]2)(OH)(H){2|C<3>,2|O<2>,4|C<4>,7|H<1>}	H(OC[5,6])	109.5220	0.000	1	109.5220	0.000	1	107.3895	9.095	2	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6,6]C[5,6]H)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(OC[5,6])	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|C<4>,3|C<3>,4|H<1>}	H(OC[5,6])	110.1500	0.000	1	110.1500	0.000	1	108.4920	3.320	6	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(OC[5,6])	109.5210	0.000	1	109.5210	0.000	1	108.4920	3.320	6	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]O[5,6]H)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	H(OC[5,6])	106.4180	0.000	1	106.4180	0.000	1	108.4920	3.320	6	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,6]O[5,5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(OC[5,6])	105.9260	0.000	1	105.9260	0.000	1	108.4920	3.320	6	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(OC[5,6])	109.4850	0.000	1	109.4850	0.000	1	108.4920	3.320	6	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]2H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5,5,6]C[5,5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(OC[5,6])	109.4520	0.000	1	109.4520	0.000	1	108.4920	3.320	6	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(OC[5,6])	109.4650	0.000	1	109.4680	0.000	2	109.4433	0.001	6	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,6]C[6,6]C)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	H(OC[5,6])	109.4710	0.000	1	109.4680	0.000	2	109.4433	0.001	6	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6,6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6,6]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	H(OC[5,6])	109.4310	0.029	4	109.4310	0.001	4	109.4433	0.001	6	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(OC[5,6])	110.4090	0.966	2	110.4090	0.933	2	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(OC[5,6])	109.4790	0.016	2	109.4790	0.000	2	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]HH)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]HH)(OH)(H){4|C<4>}	H(OC[5,6])	109.5230	0.000	1	109.5230	0.000	1	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(OH)(H){3|C<4>,3|H<1>}	H(OC[5,6])	114.7397	3.079	3	114.7397	9.481	3	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CO)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CO)(OH)(H){3|C<4>,3|H<1>}	H(OC[5,6])	105.6440	0.000	1	105.6440	0.000	1	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H){1|H<1>,1|O<1>,3|C<4>}	H(OC[5,6])	109.4690	0.027	3	108.9746	7.138	8	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OH)(H){3|C<4>,3|H<1>}	H(OC[5,6])	108.6780	3.493	5	108.9746	7.138	8	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HN)(OH)(H){3|C<4>,3|H<1>}	H(OC[5,6])	105.1845	4.897	2	105.1845	23.978	2	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]SeH)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]SeH)(OH)(H){3|C<4>,3|H<1>}	H(OC[5,6])	109.5270	0.000	1	109.5270	0.000	1	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	H(OC[5,6])	109.8353	1.848	3	109.8353	3.415	3	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(OC[5,6])	109.5660	0.000	1	109.5660	0.000	1	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,5|H<1>}	H(OC[5,6])	109.8490	0.000	1	109.9715	0.296	4	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,4|H<1>}	H(OC[5,6])	110.0123	0.659	3	109.9715	0.296	4	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(OC[5,6])	109.4830	0.000	1	109.4830	0.000	1	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]O[5]O[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[5,6])	110.3220	0.000	1	110.3220	0.000	1	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<3>,3|H<1>}	H(OC[5,6])	114.6855	7.307	2	114.6855	53.385	2	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H){1|H<1>,2|C<3>}	H(OC[5,6])	106.2470	0.000	1	106.2470	0.000	1	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(OH)(H){2|C<4>,2|H<1>}	H(OC[5,6])	105.9227	2.974	3	105.9227	8.847	3	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	H(OC[5,6])	109.4718	0.044	4	109.4718	0.002	4	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[5,6])	109.4590	0.000	1	109.4590	0.000	1	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrH)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]BrH)(OH)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>}	H(OC[5,6])	111.4550	0.000	1	111.4550	0.000	1	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|C<4>,1|P<4>,2|H<1>}	H(OC[5,6])	109.5890	0.000	1	109.5890	0.000	1	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[5,6])	109.4920	0.017	2	110.4453	1.727	4	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HO)(OH)(H){2|C<4>,2|H<1>}	H(OC[5,6])	111.3985	1.244	2	110.4453	1.727	4	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(OH)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	H(OC[5,6])	109.4280	0.000	1	109.4280	0.000	1	109.6376	9.092	48	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6,6]H)(H)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5,6]O[5,5]O[5,6]C)(OH)(H){1|H<1>,2|C<4>}	H(OC[5,6])	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]2H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]2H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]O[5])(C[5,6,6]C[6,6]2C[5])(OH)(H){1|C<3>,4|H<1>,7|C<4>}	H(OC[5,6])	109.4700	0.031	2	109.4700	0.001	2	109.4700	0.001	2	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(OC[5,6])	109.4660	0.000	1	109.1497	0.305	3	109.0223	1.193	22	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	H(OC[5,6])	108.9915	0.678	2	109.1497	0.305	3	109.0223	1.193	22	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(OC[5,6])	109.5010	0.000	1	109.5010	0.000	1	109.0223	1.193	22	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6]C[3,6]C[5]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6]C[3,6]C[5]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	H(OC[5,6])	109.4250	0.000	1	109.4250	0.000	1	109.0223	1.193	22	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]C)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]C)(OH)(H){3|H<1>,4|C<4>}	H(OC[5,6])	109.4660	0.000	1	109.4660	0.000	1	109.0223	1.193	22	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	H(OC[5,6])	109.4740	0.008	2	109.4740	0.000	2	109.0223	1.193	22	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]O)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	H(OC[5,6])	109.4980	0.021	2	109.4980	0.000	2	109.0223	1.193	22	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,7|H<1>}	H(OC[5,6])	109.4820	0.000	1	109.4820	0.000	1	109.0223	1.193	22	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(OC[5,6])	108.1240	2.399	3	108.2116	3.514	5	109.0223	1.193	22	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(OC[5,6])	107.2280	0.000	1	108.2116	3.514	5	109.0223	1.193	22	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,4|C<4>,7|H<1>}	H(OC[5,6])	109.4580	0.000	1	108.2116	3.514	5	109.0223	1.193	22	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]C)(OH)(H){1|O<1>,3|C<4>,5|H<1>}	H(OC[5,6])	106.9110	0.000	1	106.9110	0.000	1	109.0223	1.193	22	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|H<1>,2|O<2>,7|C<4>}	H(OC[5,6])	109.4713	0.008	3	109.4508	0.002	5	109.0223	1.193	22	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,2|H<1>,7|C<4>}	H(OC[5,6])	109.4200	0.071	2	109.4508	0.002	5	109.0223	1.193	22	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[5]C[6]H)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	H(OC[5,6])	104.2410	0.000	1	104.2410	0.000	1	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)2(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)2(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(OC[5,6])	109.4725	0.005	2	109.4725	0.000	2	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(OC[5,6])	106.9840	0.000	1	107.7917	5.797	10	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(OC[5,6])	105.0550	2.198	2	107.7917	5.797	10	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|C<3>,2|C<4>,5|H<1>}	H(OC[5,6])	109.4870	0.081	2	107.7917	5.797	10	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){1|O<2>,3|C<4>,5|H<1>}	H(OC[5,6])	106.7520	3.944	2	107.7917	5.797	10	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){3|C<4>,4|H<1>}	H(OC[5,6])	109.4470	0.038	2	107.7917	5.797	10	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(OH)(H){4|C<4>,5|H<1>}	H(OC[5,6])	109.4510	0.000	1	107.7917	5.797	10	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(OC[5,6])	109.4810	0.000	1	109.4810	0.000	1	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]O[6]H)(OH)(H){1|C<4>,1|O<2>,5|H<1>}	H(OC[5,6])	109.4850	0.000	1	109.4850	0.000	1	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(OH)(H){1|N<3>,1|O<1>,4|H<1>}	H(OC[5,6])	104.7280	0.000	1	104.7280	0.000	1	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H){1|C<4>,1|O<2>,2|S<4>,3|H<1>}	H(OC[5,6])	109.5375	0.032	2	109.5375	0.001	2	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<4>,4|H<1>}	H(OC[5,6])	109.4430	0.000	1	109.4430	0.000	1	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]O[5]C)(OH)(H){2|N<3>,3|H<1>}	H(OC[5,6])	109.4610	0.000	2	109.4610	0.000	2	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<2>,3|H<1>}	H(OC[5,6])	109.5430	0.000	1	109.5430	0.000	1	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5,6]C[6]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[5,6])	109.4737	0.012	3	109.4737	0.000	3	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5,6]C[6]O[5]H)(OH)(H){1|O<1>,2|H<1>,3|C<4>}	H(OC[5,6])	109.9010	0.000	1	109.9010	0.000	1	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(OC[5,6])	109.4910	0.000	1	109.4910	0.000	1	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6]O[5]C)(OH)(H){1|O<1>,2|C<3>,2|H<1>}	H(OC[5,6])	109.5110	0.000	1	109.5110	0.000	1	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5,6]C[6]N[5]H)(OH)(H){1|O<1>,2|C<3>,3|H<1>}	H(OC[5,6])	109.4790	0.000	1	109.4790	0.000	1	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:1:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H)	H(OC[5,6])	O(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]C[5]O)(OH)(H){2|H<1>,6|C<3>}	H(OC[5,6])	108.3330	1.540	2	108.3330	2.372	2	108.5564	3.648	31	109.0071	6.758	132	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[3,5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[3,5,6]C[6]O[5])(H)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6,6]HO)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[3,5,6]C[6]O[5])(H)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|C<4>,4|H<1>}	H(OC[5,6])	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,5]O[5,6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,5]C[5,5]O[5]C)(O[5,6]C[5,6])(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,5]O[5,6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,5]C[5,5]O[5]C)(O[5,6]C[5,6])(OH){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(OC[5,6])	109.4760	0.025	5	109.4760	0.001	5	109.4760	0.001	5	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC)(OH){3|C<4>,3|H<1>}	H(OC[5,6])	109.2420	1.951	14	109.2420	3.808	14	108.6735	8.383	15	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN)(OH){1|C<3>,4|H<1>}	H(OC[5,6])	100.7150	0.000	1	100.7150	0.000	1	108.6735	8.383	15	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:O[6]-2:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5]O[6])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]CH)(O[6]O[6])(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5]O[6])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]CH)(O[6]O[6])(OH){1|H<1>,2|O<1>,4|C<4>}	H(OC[5,6])	109.4170	0.000	1	109.4170	0.000	1	109.4170	0.000	1	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,5,6]C[6]O[5])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[6]O[5])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(OH){4|C<4>,5|H<1>}	H(OC[5,6])	109.4723	0.056	3	109.4723	0.003	3	109.4723	0.003	3	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]O[6])(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]O[6])(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,4|H<1>}	H(OC[5,6])	109.4345	0.001	2	109.3403	0.027	3	109.3403	0.027	3	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]O[6])(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]O[6])(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]HH)(O[6]C[6])(OH){2|C<4>,3|C<3>,5|H<1>}	H(OC[5,6])	109.1520	0.000	1	109.3403	0.027	3	109.3403	0.027	3	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[3x6]O[5,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[3x6]O[5,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,5|C<4>}	H(OC[5,6])	109.4900	0.065	2	109.4900	0.004	2	109.1085	7.143	11	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[3,6]HO)(O[5]C[5])(OH){1|O<2>,2|H<1>,6|C<4>}	H(OC[5,6])	109.4880	0.000	1	109.4880	0.000	1	109.1085	7.143	11	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,3x6]C[6,6]H)(C[6]C[6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	H(OC[5,6])	109.4690	0.000	1	109.4690	0.000	1	109.1085	7.143	11	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(OH){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	H(OC[5,6])	109.4780	0.000	1	109.4780	0.000	1	109.1085	7.143	11	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(OC[5,6])	109.4750	0.000	1	109.4750	0.000	1	109.1085	7.143	11	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(O[5]C[5])(OH){1|C<3>,3|H<1>,5|C<4>}	H(OC[5,6])	109.4500	0.000	1	109.4500	0.000	1	109.1085	7.143	11	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(O[5]C[5,6])(OH){2|H<1>,7|C<4>}	H(OC[5,6])	109.4500	0.027	2	109.4500	0.001	2	109.1085	7.143	11	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HO)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	H(OC[5,6])	107.4770	8.057	2	107.4770	64.912	2	109.1085	7.143	11	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:O-2:	O-2:	O(C[5,6]C[5,6]2O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2	H(OC[5,6])	O(C[5,6]C[5,6]2O)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(OH)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(OC[5,6])	106.3330	4.095	3	106.3330	16.768	3	106.3330	16.768	3	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]2O[5])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]O)(O[5]C[5,5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]2O[5])(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,6]O[5]O)(O[5]C[5,5])(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(OC[5,6])	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[5,3x6]HH)(C[5]C[5,6]HH)(O[6]C[5,6])(OH){1|C<3>,2|H<1>,3|C<4>}	H(OC[5,6])	109.4470	0.000	1	109.4470	0.000	1	109.4737	0.002	3	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(O[6]C[6,6])(OH){1|O<2>,2|H<1>,3|C<4>}	H(OC[5,6])	109.4440	0.000	1	109.4440	0.000	1	109.4737	0.002	3	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:O[6]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]O[6])(H)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]CH)(O[6]C[6])(OH){2|C<3>,6|H<1>}	H(OC[5,6])	109.5300	0.000	1	109.5300	0.000	1	109.4737	0.002	3	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HO)(O[5]C[5])(OH){2|C<4>,4|H<1>}	H(OC[5,6])	109.4890	0.000	1	109.4890	0.000	1	109.7396	9.437	9	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,5,6]HH)(O[5]C[5])(OH){2|H<1>,4|C<4>}	H(OC[5,6])	107.7975	0.244	2	107.7975	0.060	2	109.7396	9.437	9	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH){1|C<3>,1|C<4>,6|H<1>}	H(OC[5,6])	117.5490	0.000	1	113.5040	32.724	2	109.7396	9.437	9	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(OH){1|C<4>,1|O<1>,6|H<1>}	H(OC[5,6])	109.4590	0.000	1	113.5040	32.724	2	109.7396	9.437	9	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]N[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]N[5])(OH){1|C<4>,1|S<2>,4|H<1>}	H(OC[5,6])	109.4340	0.000	1	109.4340	0.000	1	109.7396	9.437	9	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(OH){1|O<1>,3|C<4>,4|H<1>}	H(OC[5,6])	109.4610	0.000	1	109.4610	0.000	1	109.7396	9.437	9	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6]HH)(O[5]C[5])(OH){1|C<3>,3|C<4>,4|H<1>}	H(OC[5,6])	109.4850	0.000	1	109.4850	0.000	1	109.7396	9.437	9	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:2:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	O-2:	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]S)(C[6]C[6]HH)(O[5]C[5])(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5]C[6]S)(C[6]C[6]HH)(O[5]C[5])(OH){4|C<4>,5|H<1>}	H(OC[5,6])	107.1840	0.000	1	107.1840	0.000	1	109.7396	9.437	9	109.0459	6.096	55	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[6,6a]-3:O-2:	O-2:	O(C[5,6]C[3,5,6]C[5,5,6]C[6,6a])(H)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OH)	H(OC[5,6])	O(C[5,6]C[3,5,6]C[5,5,6]C[6,6a])(H)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OH){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	H(OC[5,6])	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[3,5,6]-4:C[6]-4:N[5]-3:O-2:	O-2:	O(C[5,6]C[3,5,6]C[6]N[5])(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]O)(C[6]C[6]HH)(N[5]C[5]C)(OH)	H(OC[5,6])	O(C[5,6]C[3,5,6]C[6]N[5])(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]O)(C[6]C[6]HH)(N[5]C[5]C)(OH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(OC[5,6])	108.1000	0.000	1	108.1000	0.000	1	108.1000	0.000	1	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[3,5]C[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH)	H(OC[5,6])	O(C[5,6]C[3,5]C[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH){3|H<1>,4|C<4>}	H(OC[5,6])	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	O-2:	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH)	H(OC[5,6])	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]C[6a]H)(C[6a]C[6a]2)(OH){3|C<4>,4|C<3>,5|H<1>}	H(OC[5,6])	109.4280	0.000	1	109.4280	0.000	1	109.4565	0.002	2	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6a]-3:O-2:	O-2:	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH)	H(OC[5,6])	O(C[5,6]C[3x5,6,6]C[5,6]C[6a])(H)	C[5,6](C[3x5,6,6]C[3x5,3x6]C[4x5,6,6]H)(C[5,6]C[3x5,6,6]HH)(C[6a]C[6a]2)(OH){2|C<3>,3|C<4>,5|H<1>}	H(OC[5,6])	109.4850	0.000	1	109.4850	0.000	1	109.4565	0.002	2	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,3x6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,3x6]C[5]C[6])(H)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,3x6]C[5]C[6])(H)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,7|H<1>}	H(OC[5,6])	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:C-3:O-2:	O-2:	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCH)(OH){4|C<4>,4|H<1>}	H(OC[5,6])	109.4530	0.044	2	109.4530	0.002	2	109.4530	0.002	2	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:C[6a]-3:O-2:	O-2:	O(C[5,6]C[5,5,6,6]C[4,5,6]C[6a])(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6,6]C[4,5,6]C[6a])(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(C[6a]C[6a]2)(OH){2|C<3>,4|C<4>,6|H<1>}	H(OC[5,6])	106.7270	0.000	1	106.7270	0.000	1	106.7270	0.000	1	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCI)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCI)(OH){3|C<4>,3|H<1>}	H(OC[5,6])	108.9000	0.000	1	108.9000	0.000	1	107.6952	23.645	11	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CCO)(OH){3|C<4>,3|H<1>}	H(OC[5,6])	108.2200	0.445	2	108.2200	0.198	2	107.6952	23.645	11	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[5,6]O)(OH){3|C<4>,3|H<1>}	H(OC[5,6])	108.6628	5.084	6	108.6628	25.844	6	107.6952	23.645	11	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)(OH){1|C<4>,5|H<1>}	H(OC[5,6])	109.4500	0.000	1	109.4500	0.000	1	107.6952	23.645	11	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCH)(OH){2|H<1>,4|C<4>}	H(OC[5,6])	97.8803	0.000	1	97.8803	0.000	1	107.6952	23.645	11	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(OC[5,6])	109.4900	0.023	2	106.8757	19.830	4	106.8757	19.830	4	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6a]C[6a]2)(OH){1|C<4>,3|C<3>,6|H<1>}	H(OC[5,6])	104.2615	5.670	2	106.8757	19.830	4	106.8757	19.830	4	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(OC[5,6])	109.4910	0.000	1	109.4910	0.000	1	109.1290	0.401	3	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]HH)(C[6]C[6]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(OC[5,6])	109.4980	0.000	1	109.4980	0.000	1	109.1290	0.401	3	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(OC[5,6])	108.3980	0.000	1	108.3980	0.000	1	109.1290	0.401	3	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]CH)(C[5]N[5]O)(OH){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(OC[5,6])	110.4090	0.000	1	110.4090	0.000	1	110.4090	0.000	1	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:N[5]-3:O-2:	O-2:	O(C[5,6]C[5,5,6]C[6]N[5])(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[6]N[5])(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(OC[5,6])	109.4425	0.006	2	109.4425	0.000	2	109.4425	0.000	2	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(OC[5,6])	109.4430	0.000	1	109.4430	0.000	1	108.2085	3.048	2	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH)	H(OC[5,6])	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	H(OC[5,6])	106.9740	0.000	1	106.9740	0.000	1	108.2085	3.048	2	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH){1|C<3>,2|H<1>,3|C<4>}	H(OC[5,6])	109.4830	0.000	1	109.4830	0.000	1	109.6303	0.066	3	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(OC[5,6])	109.9260	0.000	1	109.9260	0.000	1	109.6303	0.066	3	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH){1|O<1>,2|C<3>,3|C<4>}	H(OC[5,6])	109.4820	0.000	1	109.4820	0.000	1	109.6303	0.066	3	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HS)(C[5]O[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]HS)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	H(OC[5,6])	105.9990	0.000	1	105.9990	0.000	1	108.7330	14.950	2	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(OC[5,6])	111.4670	0.000	1	111.4670	0.000	1	108.7330	14.950	2	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-3:O-2:	O-2:	O(C[5,6]C[5,6]2C)(H)	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]2C)(H)	C[5,6](C[5,6]C[5]C[6]H)2(CCH)(OH){1|C<3>,1|C<4>,6|H<1>}	H(OC[5,6])	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(C[5]O[5]O)(OH){1|O<2>,3|C<4>,4|H<1>}	H(OC[5,6])	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,5|H<1>}	H(OC[5,6])	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(OH){3|H<1>,6|C<4>}	H(OC[5,6])	109.4850	0.000	1	109.4850	0.000	1	109.0493	1.517	9	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH){1|C<4>,2|H<1>}	H(OC[5,6])	107.1330	0.000	1	107.1330	0.000	1	109.0493	1.517	9	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]C)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]C)(OH){1|C<4>,8|H<1>}	H(OC[5,6])	109.4320	0.010	2	109.4320	0.000	2	109.0493	1.517	9	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(OH){1|C<4>,8|H<1>}	H(OC[5,6])	110.9150	0.000	1	110.9150	0.000	1	109.0493	1.517	9	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<4>,6|H<1>}	H(OC[5,6])	109.4780	0.000	1	109.4780	0.000	1	109.0493	1.517	9	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,4|H<1>}	H(OC[5,6])	109.0420	0.000	1	109.0420	0.000	1	109.0493	1.517	9	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){2|C<3>,5|H<1>}	H(OC[5,6])	107.0230	0.000	1	107.0230	0.000	1	109.0493	1.517	9	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,3|H<1>}	H(OC[5,6])	109.5040	0.000	1	109.5040	0.000	1	109.0493	1.517	9	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]O[6]H)(C[5]O[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]O[6]H)(C[5]O[5]O)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(OC[5,6])	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,3x6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|O<2>,2|C<4>,3|H<1>}	H(OC[5,6])	111.5350	0.000	1	111.5350	0.000	1	109.8346	6.514	14	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HO)(C[5]O[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HO)(C[5]O[5]O)(OH){1|O<2>,2|C<4>,4|H<1>}	H(OC[5,6])	108.1090	0.000	1	108.1090	0.000	1	109.8346	6.514	14	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	H(OC[5,6])	109.6085	2.744	2	109.6085	7.531	2	109.8346	6.514	14	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]BrH)(C[5]C[5]O)(OH){1|O<2>,3|H<1>,5|C<4>}	H(OC[5,6])	109.4690	0.000	1	109.4690	0.000	1	109.8346	6.514	14	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(OH){2|C<4>,4|H<1>}	H(OC[5,6])	111.4445	7.299	2	111.4445	53.282	2	109.8346	6.514	14	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	H(OC[5,6])	112.3250	0.000	1	112.3250	0.000	1	109.8346	6.514	14	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)(OH){1|C<4>,7|H<1>}	H(OC[5,6])	109.4690	0.000	1	109.4690	0.000	1	109.8346	6.514	14	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,6|H<1>}	H(OC[5,6])	108.1130	0.000	1	108.1130	0.000	1	109.8346	6.514	14	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(C[5]C[5]N)(OH){1|C<4>,1|O<1>,6|H<1>}	H(OC[5,6])	108.1330	0.000	1	108.1330	0.000	1	109.8346	6.514	14	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(OH){1|C<3>,1|C<4>,4|H<1>}	H(OC[5,6])	109.4620	0.000	1	109.4620	0.000	1	109.8346	6.514	14	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(C[5]C[5]H)(OH){1|C<4>,2|O<2>,5|H<1>}	H(OC[5,6])	109.4640	0.000	1	109.4640	0.000	1	109.8346	6.514	14	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]C)(OH){1|O<2>,2|H<1>,5|C<4>}	H(OC[5,6])	109.4990	0.000	1	109.4990	0.000	1	109.8346	6.514	14	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]HO)(C[5]O[5]O)(OH){3|C<4>,4|H<1>}	H(OC[5,6])	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){1|C<2>,3|C<3>,4|H<1>}	H(OC[5,6])	108.4440	0.000	1	108.4440	0.000	1	107.0950	3.640	2	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:3:2:	2:	C[5,6]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-3:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)(OH){4|C<3>,4|H<1>}	H(OC[5,6])	105.7460	0.000	1	105.7460	0.000	1	107.0950	3.640	2	108.8827	7.348	67	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[3,5,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[3,5,6]C[5,6]C[5])(H)	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[3,5,6]C[5,6]C[5])(H)	C[5,6](C[3,5,6]C[3,5,6]C[3]C[5])(C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(OH){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(OC[5,6])	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[3,5,6]C[5]C[6])(H)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[3,5,6]C[5]C[6])(H)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,6|H<1>}	H(OC[5,6])	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	H(OC[5,6])	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[3,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	H(OC[5,6])	109.3420	0.000	1	109.3420	0.000	1	109.4609	0.004	7	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	H(OC[5,6])	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	H(OC[5,6])	109.4862	0.043	5	109.4807	0.002	6	109.4609	0.004	7	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[5,6]-4:O-2:	O-2:	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH)	H(OC[5,6])	O(C[5,6]C[3,5]C[5,6]2)(H)	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(OH){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	H(OC[5,6])	109.4530	0.000	1	109.4807	0.002	6	109.4609	0.004	7	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[3,5]C[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[3,5]C[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(OH){2|C<4>,2|H<1>}	H(OC[5,6])	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[3,6]C[5,6]C[5])(H)	C[5,6](C[3,6]C[3,5,6]C[3]H)(C[5,6]C[6,6a]O[5]O)(C[5]C[5]CC)(OH)	H(OC[5,6])	O(C[5,6]C[3,6]C[5,6]C[5])(H)	C[5,6](C[3,6]C[3,5,6]C[3]H)(C[5,6]C[6,6a]O[5]O)(C[5]C[5]CC)(OH){2|C<4>,2|H<1>,3|C<3>}	H(OC[5,6])	111.7270	0.000	1	111.7270	0.000	1	111.7270	0.000	1	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6](C[5,3x6]C[5,6,6]2C[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(OH){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	H(OC[5,6])	106.2370	0.000	1	106.2370	0.000	1	106.2370	0.000	1	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:C-4:O-2:	O-2:	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6,6]C[4,5,6]C)(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH){4|C<4>,4|H<1>}	H(OC[5,6])	108.3551	3.336	8	108.3551	11.129	8	108.3551	11.129	8	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]O[5,6]2)(C[5,6]C[5,6]HH)(C[5]O[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,5,6,6]C[5,5,6,6]O[5,6]2)(C[5,6]C[5,6]HH)(C[5]O[5]HH)(OH){1|C<3>,1|H<1>,4|C<4>}	H(OC[5,6])	109.4390	0.000	1	109.4390	0.000	1	109.4390	0.000	1	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	O-2:	O(C[5,6]C[5,5,6]2C)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]2C)(H)	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(OC[5,6])	109.7610	0.000	1	109.7610	0.000	1	109.6183	6.744	3	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	O-2:	O(C[5,6]C[5,5,6]2C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]C[5]2)(CH3)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]2C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]C[5]2)(CH3)(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(OC[5,6])	109.5470	3.668	2	109.5470	13.458	2	109.6183	6.744	3	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6,6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(OC[5,6])	106.6050	7.196	5	106.6050	51.777	5	106.6050	51.777	5	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	H(OC[5,6])	109.3725	0.064	2	109.3725	0.004	2	109.3725	0.004	2	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[4]-4:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6]C[4])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[4]C[4]2Co)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]C[4])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[4]C[4]2Co)(OH){4|H<1>,5|C<4>}	H(OC[5,6])	109.4080	0.016	2	109.4080	0.000	2	109.4080	0.000	2	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6]C[5])(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[3,5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]C[5])(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[3,5]HH)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	H(OC[5,6])	111.5410	2.886	2	111.5410	8.331	2	111.5410	8.331	2	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]2H)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5,6]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]2H)(OH){1|O<2>,5|C<4>,6|H<1>}	H(OC[5,6])	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(OC[5,6])	103.2930	0.000	1	103.2930	0.000	1	106.4040	19.357	2	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,6]C[5]H)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]O[5,6]O[5])(C[5]C[5,6]C[5]H)(C[6]C[6]HH)(OH){1|O<2>,3|H<1>,5|C<4>}	H(OC[5,6])	109.5150	0.000	1	109.5150	0.000	1	106.4040	19.357	2	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(OC[5,6])	113.6480	0.000	1	113.7790	0.034	2	113.7790	0.034	2	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(OC[5,6])	113.9100	0.000	1	113.7790	0.034	2	113.7790	0.034	2	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5]-4:C[5,6,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5,5]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,5]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6,6]O[5,6]C[6]2)(C[6]C[6]CH)(OH){2|C<3>,3|C<4>,7|H<1>}	H(OC[5,6])	109.4440	0.000	1	109.4440	0.000	1	109.4440	0.000	1	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(OC[5,6])	109.4790	0.000	1	109.4790	0.000	1	109.4985	0.001	2	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(OC[5,6])	109.5180	0.000	1	109.5180	0.000	1	109.4985	0.001	2	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,3x6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,3x6]C[5,6,6]C[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,3x6]C[5,6,6]2C[6])(C[5]C[5,6]HH)(OH){1|N<3>,3|O<2>,5|H<1>,6|C<4>}	H(OC[5,6])	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5,6]C)(H)	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[5,6]C[6,6]C[5]H)(CH3)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]C)(H)	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[5,6]C[6,6]C[5]H)(CH3)(OH){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(OC[5,6])	109.4600	0.020	3	109.4600	0.000	3	109.4600	0.000	3	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5,6]C[5])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5,6]C[5]C)(C[5]C[5]HO)(OH){2|C<3>,2|C<4>,3|O<2>,8|H<1>}	H(OC[5,6])	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(OC[5,6])	104.0100	0.000	1	104.0100	0.000	1	107.0632	22.830	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(OC[5,6])	97.7948	0.000	1	107.4693	78.000	3	107.0632	22.830	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(OC[5,6])	112.3065	3.951	2	107.4693	78.000	3	107.0632	22.830	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,4|H<1>}	H(OC[5,6])	109.4940	0.000	1	109.4940	0.000	1	107.0632	22.830	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(OH){1|C<3>,3|C<4>,3|H<1>}	H(OC[5,6])	109.5000	0.000	1	109.5000	0.000	1	107.0632	22.830	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(OC[5,6])	100.0190	0.000	1	104.7640	45.030	2	107.0632	22.830	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,2|H<1>}	H(OC[5,6])	109.5090	0.000	1	104.7640	45.030	2	107.0632	22.830	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(OC[5,6])	107.8533	2.770	3	107.8533	7.672	3	107.0632	22.830	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH)	H(OC[5,6])	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]CC)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(OC[5,6])	106.2580	0.000	1	106.2580	0.000	1	107.0632	22.830	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	O-2:	O(C[5,6]C[5,6]2C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCHH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]2C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCHH)(OH){2|C<4>,5|H<1>}	H(OC[5,6])	109.4760	0.000	1	109.4760	0.000	1	109.4810	0.000	2	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	O-2:	O(C[5,6]C[5,6]2C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]C)(CC[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]2C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]C)(CC[5]HH)(OH){2|H<1>,3|C<4>}	H(OC[5,6])	109.4860	0.000	1	109.4860	0.000	1	109.4810	0.000	2	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(OC[5,6])	109.4440	0.000	1	109.4440	0.000	1	108.6065	1.403	2	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]2C[5])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(OH){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	H(OC[5,6])	107.7690	0.000	1	107.7690	0.000	1	108.6065	1.403	2	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	H(OC[5,6])	109.4950	0.000	1	109.4950	0.000	1	109.4822	0.001	4	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(OH){1|O<2>,3|C<4>,5|H<1>}	H(OC[5,6])	109.4780	0.039	3	109.4780	0.002	3	109.4822	0.001	4	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]HO)(OH){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(OC[5,6])	110.7380	0.000	1	110.7380	0.000	1	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	H(OC[5,6])	109.4740	0.000	1	109.4740	0.000	1	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){1|O<2>,2|C<4>,3|H<1>}	H(OC[5,6])	108.0297	2.467	3	108.3256	3.231	7	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,2|H<1>,2|O<2>}	H(OC[5,6])	106.3270	0.000	1	108.3256	3.231	7	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]HO)(C[5]C[5,6]HH)(C[6]C[6]HO)(OH){2|C<4>,4|H<1>}	H(OC[5,6])	109.2877	0.301	3	108.3256	3.231	7	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,4|H<1>}	H(OC[5,6])	109.4800	0.024	2	107.4811	9.120	7	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,4|H<1>}	H(OC[5,6])	106.6816	3.299	5	107.4811	9.120	7	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){2|C<3>,4|H<1>}	H(OC[5,6])	108.0680	0.000	2	108.7705	0.658	4	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HN)(C[6]C[6]HH)(OH){3|C<3>,3|H<1>}	H(OC[5,6])	109.4730	0.008	2	108.7705	0.658	4	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CC)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CC)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(OC[5,6])	109.4980	0.000	1	109.4980	0.000	1	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(OC[5,6])	107.0230	0.000	1	107.0484	18.606	5	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,1|O<1>,5|H<1>}	H(OC[5,6])	106.9550	0.000	1	107.0484	18.606	5	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|N<3>,1|O<1>,6|H<1>}	H(OC[5,6])	113.9150	0.000	1	107.0484	18.606	5	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,2|C<4>,5|H<1>}	H(OC[5,6])	102.1750	0.000	1	107.0484	18.606	5	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Si<4>,1|C<4>,1|O<1>,5|H<1>}	H(OC[5,6])	105.1740	0.000	1	107.0484	18.606	5	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(OC[5,6])	110.3020	1.039	2	110.0073	0.801	3	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<4>,2|O<1>,4|H<1>}	H(OC[5,6])	109.4180	0.000	1	110.0073	0.801	3	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(OC[5,6])	106.6415	4.023	2	108.6583	4.596	7	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HN)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(OC[5,6])	109.4650	0.031	5	108.6583	4.596	7	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HO)(OH){3|H<1>,4|C<4>}	H(OC[5,6])	109.4772	0.073	5	109.4772	0.005	5	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(OC[5,6])	106.5520	4.127	2	106.5520	17.029	2	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,7|H<1>}	H(OC[5,6])	109.4880	0.000	1	108.3760	2.473	2	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	H(OC[5,6])	107.2640	0.000	1	108.3760	2.473	2	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|Cl<1>,1|C<4>,7|H<1>}	H(OC[5,6])	107.6170	0.000	1	108.8650	1.169	3	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(OH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(OC[5,6])	109.4890	0.044	2	108.8650	1.169	3	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	H(OC[5,6])	152.8570	0.000	1	152.8570	0.000	1	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(OC[5,6])	108.5825	1.818	2	108.5825	3.305	2	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(OH){1|C<3>,3|C<4>,3|H<1>}	H(OC[5,6])	109.9650	0.000	1	109.9650	0.000	1	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(OC[5,6])	106.3557	2.684	3	107.1238	7.163	4	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]N)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(OC[5,6])	109.4280	0.000	1	107.1238	7.163	4	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]CC)(C[6]C[6,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(OC[5,6])	109.3970	0.000	1	109.3970	0.000	1	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5,5]HH)(C[6]N[6,6]HH)(OH){2|C<3>,2|H<1>,4|C<4>}	H(OC[5,6])	109.5380	0.000	1	109.5380	0.000	1	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,2|O<2>,6|H<1>}	H(OC[5,6])	109.4730	0.000	1	109.4730	0.000	1	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(OC[5,6])	112.4810	0.000	1	112.4810	0.000	1	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(OH){2|C<4>,7|H<1>}	H(OC[5,6])	109.4680	0.000	1	109.4680	0.000	1	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(OH){3|C<4>,6|H<1>}	H(OC[5,6])	108.3705	11.203	2	108.3705	125.500	2	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6a]C[3x5]H)(C[5]C[3x5]HH)(C[6]O[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>}	H(OC[5,6])	109.4295	0.009	2	109.4295	0.000	2	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(OH){2|C<3>,6|H<1>}	H(OC[5,6])	111.4550	0.000	1	111.4550	0.000	1	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(OC[5,6])	109.4690	0.000	1	109.4487	0.004	3	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(OH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(OC[5,6])	109.4385	0.081	2	109.4487	0.004	3	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[5,6])	106.9850	0.505	2	108.3238	15.990	4	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,5|H<1>}	H(OC[5,6])	109.6625	6.367	2	108.3238	15.990	4	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(OC[5,6])	109.4690	0.000	1	109.4690	0.000	1	109.2183	33.121	74	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HO)(OH){1|O<2>,4|C<4>,6|H<1>}	H(OC[5,6])	102.7990	0.000	1	102.7990	0.000	1	102.7990	0.000	1	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HO)(C[5]C[5]HO)(OH){1|O<2>,3|H<1>,5|C<4>}	H(OC[5,6])	109.4050	0.000	1	109.4050	0.000	1	109.5495	0.106	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]O)(C[5]C[5]HH)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(OC[5,6])	109.4440	0.076	2	109.4440	0.006	2	109.5495	0.106	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[4,6]HO)(C[5]C[5]HH)(OH){4|C<4>,5|H<1>}	H(OC[5,6])	110.5790	0.000	1	110.5790	0.000	1	109.5495	0.106	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]CH)(C[5]C[5]CH)(OH){2|C<3>,6|H<1>}	H(OC[5,6])	109.4780	0.004	2	109.4780	0.000	2	109.5495	0.106	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){1|H<1>,2|O<2>,4|C<4>}	H(OC[5,6])	109.4590	0.000	1	109.4465	0.000	2	109.5495	0.106	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]CC)(C[5]C[5]HH)(OH){2|O<2>,3|C<4>,4|H<1>}	H(OC[5,6])	109.4340	0.000	1	109.4465	0.000	2	109.5495	0.106	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]HO)(C[5]C[5]CH)(OH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(OC[5,6])	109.4790	0.000	1	109.4790	0.000	1	109.5495	0.106	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HO)(C[5]C[5]HH)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[5,6])	109.4770	0.000	1	109.4770	0.000	1	109.5495	0.106	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]N[5,6]C[6]C)(C[6]C[5a,6]CC)(C[5]C[5,6]HH)(OH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(OC[5,6])	109.4585	0.025	2	109.4585	0.001	2	109.5495	0.106	12	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:P[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6]P[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(P[5]C[5]OO)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6]P[5])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(P[5]C[5]OO)(OH){1|O<2>,2|C<4>,6|H<1>}	H(OC[5,6])	110.8320	0.000	1	110.8320	0.000	1	110.8320	0.000	1	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]O)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(OC[5,6])	109.4830	0.000	1	109.4830	0.000	1	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	H(OC[5,6])	109.5270	0.012	4	109.5270	0.000	4	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(OC[5,6])	109.4950	0.000	1	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(OC[5,6])	109.5000	0.000	1	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(OC[5,6])	109.4730	0.025	2	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(OC[5,6])	109.4530	0.000	1	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(OC[5,6])	108.0935	2.825	6	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,2|C<4>,2|O<1>,5|H<1>}	H(OC[5,6])	100.2490	0.000	1	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	H(OC[5,6])	109.4570	0.000	1	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,8|H<1>}	H(OC[5,6])	108.7738	3.607	13	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(OC[5,6])	109.4540	0.000	1	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(OC[5,6])	108.0130	0.000	1	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,4|C<4>,6|H<1>}	H(OC[5,6])	106.4520	0.000	1	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(OC[5,6])	109.4730	0.000	1	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(OC[5,6])	103.4600	0.000	1	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|C<3>,2|C<4>,8|H<1>}	H(OC[5,6])	109.4535	0.040	2	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<1>,3|C<4>,5|H<1>}	H(OC[5,6])	106.7410	1.608	3	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){2|O<2>,4|C<4>,6|H<1>}	H(OC[5,6])	107.9280	0.000	1	108.2062	8.803	37	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]N)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<1>,3|C<4>,7|H<1>}	H(OC[5,6])	109.4430	0.029	3	109.4430	0.001	3	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5,6]	H	4:1:	4:4:4:2:	2:	C[5,6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:O-2:	O-2:	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	H(OC[5,6])	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){4|C<4>,8|H<1>}	H(OC[5,6])	109.4970	0.000	1	109.4970	0.000	1	108.4575	7.308	46	108.8823	17.704	202	108.8386	10.993	608	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	2:3:4:2:	2:	C[5]-4:H-1:	O[5]-2:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH){1|C<4>,1|H<1>,1|O<2>}	H(OC[5])	109.4610	0.000	1	109.4610	0.000	1	109.4610	0.000	1	109.4603	0.000	3	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	2:3:4:2:	2:	C[5]-4:H-1:	S[5]-2:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]S[5]C)(H)	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]S[5]C)(H)	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(OH){3|C<4>}	H(OC[5])	109.4600	0.016	2	109.4600	0.000	2	109.4600	0.000	2	109.4603	0.000	3	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:2:1:	2:	C[5]-4:H-1:	C[5,6]-3:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])(OH)(H){1|O<1>,4|C<4>}	H(OC[5])	120.1620	2.055	2	120.1620	4.222	2	120.1620	4.222	2	109.3197	29.688	17	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6a]O[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]O[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(OC[5])	105.3672	2.253	4	105.3672	5.077	4	108.3999	11.453	10	109.3197	29.688	17	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6a]O[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]O[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|C<4>,1|O<1>,2|C<3>}	H(OC[5])	109.4850	0.000	1	110.4217	5.306	6	108.3999	11.453	10	109.3197	29.688	17	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6a]O[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]O[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(OC[5])	114.0900	0.000	1	110.4217	5.306	6	108.3999	11.453	10	109.3197	29.688	17	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6a]O[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]O[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)(H){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	109.7387	1.856	4	110.4217	5.306	6	108.3999	11.453	10	109.3197	29.688	17	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:2:1:	2:	C[5]-4:H-1:	C[5]-3:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(OH)(H){2|C<3>}	H(OC[5])	107.3060	0.000	1	107.3060	0.000	1	106.8224	23.239	5	109.3197	29.688	17	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:2:1:	2:	C[5]-4:H-1:	C[5]-3:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|C<4>,1|O<1>}	H(OC[5])	109.4990	0.000	1	106.7015	30.887	4	106.8224	23.239	5	109.3197	29.688	17	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:2:1:	2:	C[5]-4:H-1:	C[5]-3:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]C)(O[5]C[5])(OH)(H){1|H<1>,1|O<1>}	H(OC[5])	105.7690	6.412	3	106.7015	30.887	4	106.8224	23.239	5	109.3197	29.688	17	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:O[5]-2:C-3:O-2:	O-2:	O(C[5]C[5,6a]O[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)(OH)	H(OC[5])	O(C[5]C[5,6a]O[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[5])	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	109.4990	0.000	2	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:3:2:	2:	C[5]-4:H-1:	C[5]-3:O[5]-2:C-3:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CNO)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CNO)(OH){2|C<3>}	H(OC[5])	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	109.4990	0.000	2	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:4:2:	2:	C[5]-4:H-1:	C[5,6]-3:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5,6]O[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH)	H(OC[5])	O(C[5]C[5,6]O[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH){1|H<1>,2|C<3>}	H(OC[5])	110.3410	0.000	1	110.3410	0.000	1	110.3410	0.000	1	109.7561	0.511	16	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5,6a]O[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]O[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(OH){1|O<1>,1|O<2>,2|C<3>}	H(OC[5])	109.4780	0.000	1	109.4780	0.000	1	109.6023	0.068	3	109.7561	0.511	16	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5,6a]O[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]O[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(OH){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	109.6645	0.336	2	109.6645	0.113	2	109.6023	0.068	3	109.7561	0.511	16	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:4:2:	2:	C[5]-4:H-1:	C[5]-3:N[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]S[5]O)(N[5]C[5])(CBrHH)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]S[5]O)(N[5]C[5])(CBrHH)(OH){1|C<3>}	H(OC[5])	109.4900	0.000	1	109.4900	0.000	1	109.4900	0.000	1	109.7561	0.511	16	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:4:2:	2:	C[5]-4:H-1:	C[5]-3:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH){1|H<1>,3|C<4>}	H(OC[5])	109.4310	0.000	1	109.4310	0.000	1	109.7960	0.774	10	109.7561	0.511	16	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:4:2:	2:	C[5]-4:H-1:	C[5]-3:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH){2|C<3>}	H(OC[5])	110.2785	1.165	2	110.2785	1.356	2	109.7960	0.774	10	109.7561	0.511	16	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:4:2:	2:	C[5]-4:H-1:	C[5]-3:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH){1|O<2>,2|C<3>}	H(OC[5])	109.4900	0.020	2	109.4900	0.000	2	109.7960	0.774	10	109.7561	0.511	16	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:4:2:	2:	C[5]-4:H-1:	C[5]-3:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH){2|C<4>}	H(OC[5])	109.4460	0.000	1	109.4460	0.000	1	109.7960	0.774	10	109.7561	0.511	16	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:4:2:	2:	C[5]-4:H-1:	C[5]-3:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH){1|C<4>,1|O<1>}	H(OC[5])	111.7230	0.000	1	111.7230	0.000	1	109.7960	0.774	10	109.7561	0.511	16	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:4:2:	2:	C[5]-4:H-1:	C[5]-3:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<1>}	H(OC[5])	109.4550	0.000	1	109.4550	0.000	1	109.7960	0.774	10	109.7561	0.511	16	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:4:2:	2:	C[5]-4:H-1:	C[5]-3:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	H(OC[5])	109.4300	0.000	1	109.4300	0.000	1	109.7960	0.774	10	109.7561	0.511	16	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:4:2:	2:	C[5]-4:H-1:	C[5]-3:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]O[5]O)(O[5]C[5])(CC3)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]O[5]O)(O[5]C[5])(CC3)(OH){1|C<3>,1|C<4>}	H(OC[5])	108.9380	0.000	1	108.9380	0.000	1	109.7960	0.774	10	109.7561	0.511	16	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:2:4:2:	2:	C[5]-4:H-1:	C[5]-3:S[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]S[5]C)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CBrHH)(OH)	H(OC[5])	O(C[5]C[5]S[5]C)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CBrHH)(OH){1|C<3>}	H(OC[5])	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.7561	0.511	16	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,5a]-3:C[5,6a]-3:O-2:H-1:	O-2:	O(C[5]C[5,5a]C[5,6a]H)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(OH)(H)	H(OC[5])	O(C[5]C[5,5a]C[5,6a]H)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,1|N<3>,3|C<3>}	H(OC[5])	106.7130	0.000	1	106.7130	0.000	1	106.7130	0.000	1	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-3:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]N[5]H)(H)	C[5](C[5,6]C[5,6]2)(N[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6]N[5]H)(H)	C[5](C[5,6]C[5,6]2)(N[5]C[5]C)(OH)(H){1|O<1>,2|C<3>,2|C<4>}	H(OC[5])	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(OH)(H){1|C<4>,2|H<1>,4|C<3>}	H(OC[5])	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(OH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(OC[5])	109.3940	0.000	1	109.3940	0.000	1	108.9854	1.728	9	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	105.4930	0.000	1	108.0620	4.989	3	108.9854	1.728	9	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	109.3465	0.281	2	108.0620	4.989	3	108.9854	1.728	9	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	H(OC[5])	109.4645	0.021	2	109.4645	0.000	2	108.9854	1.728	9	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(OH)(H){1|H<1>,1|S<4>,2|C<3>}	H(OC[5])	109.4260	0.000	1	109.4260	0.000	1	108.9854	1.728	9	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.5080	0.000	1	109.5080	0.000	1	108.9854	1.728	9	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(OH)(H){1|H<1>,2|C<3>}	H(OC[5])	109.4260	0.000	1	109.4260	0.000	1	108.9854	1.728	9	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5,6]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]N[5,6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]N[5,6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	H(OC[5])	109.4495	0.021	2	109.4495	0.000	2	109.4495	0.000	2	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]N[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]N[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	107.9150	0.668	3	107.9150	0.447	3	108.5417	1.856	10	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]N[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]N[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OH)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(OC[5])	108.1860	0.000	1	108.1860	0.000	1	108.5417	1.856	10	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]N[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]N[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(OC[5])	110.1093	0.639	3	108.8152	3.345	5	108.5417	1.856	10	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]N[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]N[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|O<1>,4|C<3>}	H(OC[5])	106.8740	0.037	2	108.8152	3.345	5	108.5417	1.856	10	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]N[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]N[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(OH)(H){1|H<1>,2|C<3>,2|O<1>}	H(OC[5])	109.4100	0.000	1	109.4100	0.000	1	108.5417	1.856	10	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C)(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C)(C[5]C[5]H)(OH)(H){1|H<1>,2|O<2>}	H(OC[5])	108.0820	0.000	1	108.0820	0.000	1	109.0400	0.689	3	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(OH)(H){1|H<1>,1|O<1>}	H(OC[5])	109.5520	0.000	1	109.5520	0.000	1	109.0400	0.689	3	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)(H){1|C<4>,1|O<1>}	H(OC[5])	109.4860	0.000	1	109.4860	0.000	1	109.0400	0.689	3	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(OH)(H){1|H<1>,1|O<1>}	H(OC[5])	109.5525	0.011	2	109.5525	0.000	2	110.6948	18.224	6	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H){1|Br<1>,1|O<1>}	H(OC[5])	112.4270	0.000	1	111.2660	29.069	4	110.6948	18.224	6	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:1:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H){1|Cl<1>,1|O<1>}	H(OC[5])	110.8790	6.535	3	111.2660	29.069	4	110.6948	18.224	6	109.1550	4.614	33	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[5,6]-3:C[5]-3:O[5]-2:O-2:	O-2:	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2)(O[5]C[5])(OH){1|C<3>,1|H<1>,1|O<1>,7|C<4>}	H(OC[5])	105.1520	0.000	1	105.1520	0.000	1	105.1520	0.000	1	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-2:O-2:	O-2:	O(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(CC)(OH)	H(OC[5])	O(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(CC)(OH){1|C<4>,1|H<1>,4|C<3>}	H(OC[5])	109.4690	0.000	1	109.4690	0.000	1	108.0028	6.041	54	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-2:O-2:	O-2:	O(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC)(OH)	H(OC[5])	O(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC)(OH){2|H<1>,4|C<3>}	H(OC[5])	107.9752	2.473	53	107.9752	6.115	53	108.0028	6.041	54	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	O-2:	O(C[5]C[5,6a]2O)(H)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OH)	H(OC[5])	O(C[5]C[5,6a]2O)(H)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OH){2|C<4>,4|C<3>}	H(OC[5])	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-2:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CC)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CC)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.4910	0.000	1	109.4910	0.000	1	109.4865	0.000	2	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-2:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.4820	0.000	1	109.4820	0.000	1	109.4865	0.000	2	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:N-2:O-2:	O-2:	O(C[5]C[5,6a]N[5]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])(OH)	H(OC[5])	O(C[5]C[5,6a]N[5]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Co)(NC[5a])(OH){1|H<1>,1|N<2>,2|C<3>}	H(OC[5])	109.4810	0.000	2	109.4810	0.000	2	109.4810	0.000	2	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C-2:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC)(OH){1|C<3>}	H(OC[5])	109.4420	0.000	1	109.4420	0.000	1	109.4420	0.000	1	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[5]-3:C[6a]-3:O[5]-2:O-2:	O-2:	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH)	H(OC[5])	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH){1|C<4>,2|H<1>,3|C<3>}	H(OC[5])	109.4660	0.000	1	109.4660	0.000	1	109.4685	0.000	6	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[5]-3:C[6a]-3:O[5]-2:O-2:	O-2:	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH)	H(OC[5])	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH){2|H<1>,4|C<3>}	H(OC[5])	109.4695	0.015	2	109.4695	0.000	2	109.4685	0.000	6	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[5]-3:C[6a]-3:O[5]-2:O-2:	O-2:	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(OC[5])	109.4655	0.039	2	109.4687	0.001	3	109.4685	0.000	6	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[5]-3:C[6a]-3:O[5]-2:O-2:	O-2:	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	H(OC[5])	109.4750	0.000	1	109.4687	0.001	3	109.4685	0.000	6	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-3:O[5]-2:O-2:	O-2:	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH){2|H<1>,4|C<3>}	H(OC[5])	110.0620	0.000	1	110.0620	0.000	1	110.8735	3.030	4	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-3:O[5]-2:O-2:	O-2:	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){1|C<4>,2|F<1>,3|C<3>}	H(OC[5])	108.8040	0.000	1	111.1440	4.107	3	110.8735	3.030	4	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:2:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-3:O[5]-2:O-2:	O-2:	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,4|C<3>}	H(OC[5])	112.3140	0.000	2	111.1440	4.107	3	110.8735	3.030	4	108.3866	5.567	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5,5]C[6a])(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5,5]C[6a])(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	H(OC[5])	109.5070	1.799	2	109.5070	3.236	2	109.5070	3.236	2	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6]-3:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]C)(COO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]C)(COO)(OH){1|O<1>,2|C<4>}	H(OC[5])	109.4140	0.000	1	109.4140	0.000	1	109.4140	0.000	1	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(OH){2|C<3>,3|C<4>,4|H<1>}	H(OC[5])	109.4710	0.000	1	109.4710	0.000	1	108.0542	7.749	4	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH)	H(OC[5])	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]H)(OH){1|Os<6>,2|H<1>,4|C<3>}	H(OC[5])	109.4335	0.032	2	109.4335	0.001	2	108.0542	7.749	4	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6]-3:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]Ru)(OH)	H(OC[5])	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[5]Ru)(OH){3|H<1>,4|C<3>}	H(OC[5])	103.8790	0.000	1	103.8790	0.000	1	108.0542	7.749	4	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5,6]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5,6]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,5|C<3>}	H(OC[5])	107.0420	0.000	1	107.0420	0.000	1	107.0420	0.000	1	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]C)(OH)	H(OC[5])	O(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]C)(OH){2|H<1>,4|C<3>}	H(OC[5])	106.1180	0.000	1	106.1180	0.000	1	108.2823	10.188	3	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(COO)(OH)	H(OC[5])	O(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(COO)(OH){2|H<1>,4|C<3>}	H(OC[5])	109.3645	3.654	2	109.3645	13.349	2	108.2823	10.188	3	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:O-2:	O-2:	O(C[5]C[5,6a]2C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5a]C[5a,6a]C[5a])(OH)	H(OC[5])	O(C[5]C[5,6a]2C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5a]C[5a,6a]C[5a])(OH){1|N<3>,2|H<1>,6|C<3>}	H(OC[5])	109.4450	0.000	1	109.4450	0.000	1	109.4815	0.003	2	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:O-2:	O-2:	O(C[5]C[5,6a]2C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]N[5a])(OH)	H(OC[5])	O(C[5]C[5,6a]2C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]N[5a])(OH){1|N<3>,2|H<1>,6|C<3>}	H(OC[5])	109.5180	0.000	1	109.5180	0.000	1	109.4815	0.003	2	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[5,6a]C[6a])(OH)	H(OC[5])	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[5,6a]C[6a])(OH){3|H<1>,7|C<3>}	H(OC[5])	107.9450	0.000	1	107.9450	0.000	1	108.7812	4.386	89	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	H(OC[5])	107.9828	1.496	5	108.8491	4.112	85	108.7812	4.386	89	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|N<2>,4|H<1>,5|C<3>}	H(OC[5])	109.4880	0.000	1	108.8491	4.112	85	108.7812	4.386	89	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|N<3>,2|N<2>,3|H<1>,4|C<3>}	H(OC[5])	109.4680	0.000	1	108.8491	4.112	85	108.7812	4.386	89	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,3|H<1>,6|C<3>}	H(OC[5])	105.2725	3.458	2	108.8491	4.112	85	108.7812	4.386	89	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){2|N<2>,4|C<3>,4|H<1>}	H(OC[5])	109.4555	0.013	2	108.8491	4.112	85	108.7812	4.386	89	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	H(OC[5])	108.1920	2.563	28	108.8491	4.112	85	108.7812	4.386	89	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	H(OC[5])	109.4450	1.397	46	108.8491	4.112	85	108.7812	4.386	89	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]2C[6a])(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	H(OC[5])	107.1357	3.958	3	107.1357	15.670	3	108.7812	4.386	89	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)(OH){1|H<1>,3|C<3>}	H(OC[5])	105.6270	0.000	1	105.6270	0.000	1	108.9025	1.637	11	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CCC)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CCC)(OH){1|H<1>,3|C<3>}	H(OC[5])	109.4320	0.000	1	109.4320	0.000	1	108.9025	1.637	11	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(COO)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(COO)(OH){1|C<4>,3|C<3>}	H(OC[5])	109.4660	0.000	1	109.4660	0.000	1	108.9025	1.637	11	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(COO)(OH){2|H<1>,4|C<3>}	H(OC[5])	109.4890	0.058	2	109.4890	0.003	2	108.9025	1.637	11	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	108.3410	1.605	2	108.3410	2.576	2	108.9025	1.637	11	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)(OH){2|C<3>,2|H<1>}	H(OC[5])	109.4980	0.000	1	109.4980	0.000	1	108.9025	1.637	11	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCO)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCO)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.4460	0.000	1	109.4460	0.000	1	108.9025	1.637	11	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(COO)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.3995	0.011	2	109.3995	0.000	2	108.9025	1.637	11	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(OC[5])	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(OC[5])	106.7830	0.000	1	108.1060	3.501	2	108.1060	3.501	2	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(OC[5])	109.4290	0.000	1	108.1060	3.501	2	108.1060	3.501	2	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]2)(OH){1|N<2>,3|H<1>,6|C<3>}	H(OC[5])	103.6480	0.000	1	103.6480	0.000	1	106.0925	10.969	4	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	H(OC[5])	105.5360	3.695	2	105.5360	13.656	2	106.0925	10.969	4	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(OH){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(OC[5])	109.6500	0.000	1	109.6500	0.000	1	106.0925	10.969	4	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(OC[5])	109.4720	0.045	4	109.6103	0.130	6	108.9561	3.675	10	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|N<3>,2|H<1>,5|C<3>}	H(OC[5])	109.4320	0.000	1	109.6103	0.130	6	108.9561	3.675	10	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|O<2>,2|H<1>,5|C<3>}	H(OC[5])	110.3420	0.000	1	109.6103	0.130	6	108.9561	3.675	10	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(OC[5])	109.4710	0.000	1	109.4710	0.000	2	108.9561	3.675	10	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH){1|N<3>,3|C<3>,4|H<1>}	H(OC[5])	109.4710	0.000	1	109.4710	0.000	2	108.9561	3.675	10	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(OH){2|C<4>,2|H<1>,4|C<3>}	H(OC[5])	103.5590	0.000	1	103.5590	0.000	1	108.9561	3.675	10	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(OH){2|C<3>,2|N<2>,3|H<1>}	H(OC[5])	109.3980	0.000	1	109.3980	0.000	1	108.9561	3.675	10	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5a]-3:N[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(N[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(N[5]C[5]C)(OH){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	H(OC[5])	109.4260	0.000	1	109.4260	0.000	1	109.4260	0.000	1	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)(OH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(OC[5])	109.4510	0.000	1	109.4510	0.000	1	109.8675	9.957	12	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(OH){3|H<1>,6|C<3>}	H(OC[5])	109.4760	0.000	1	109.4760	0.000	1	109.8675	9.957	12	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(OH){1|S<4>,3|H<1>,4|C<3>}	H(OC[5])	109.4700	0.012	3	109.4700	0.000	3	109.8675	9.957	12	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]N)(OH){3|H<1>,4|C<3>}	H(OC[5])	109.8890	0.000	1	109.8890	0.000	1	109.8675	9.957	12	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	H(OC[5])	109.5130	0.000	1	110.3582	26.824	5	109.8675	9.957	12	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(OC[5])	106.7650	0.682	2	110.3582	26.824	5	109.8675	9.957	12	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|C<4>,3|H<1>,4|C<3>}	H(OC[5])	119.2750	0.000	1	110.3582	26.824	5	109.8675	9.957	12	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(OH){4|C<3>,4|H<1>}	H(OC[5])	109.4730	0.000	1	110.3582	26.824	5	109.8675	9.957	12	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(OH){3|H<1>,4|C<3>}	H(OC[5])	109.3930	0.000	1	109.3930	0.000	1	109.8675	9.957	12	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	H(OC[5])	108.7590	0.000	1	107.2704	7.860	5	108.6220	3.629	14	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(OC[5])	109.4700	0.000	1	107.2704	7.860	5	108.6220	3.629	14	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(OC[5])	103.2940	0.000	1	107.2704	7.860	5	108.6220	3.629	14	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,3|H<1>,4|C<3>}	H(OC[5])	107.4145	2.921	2	107.2704	7.860	5	108.6220	3.629	14	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH){1|O<1>,3|H<1>,4|C<3>}	H(OC[5])	109.3623	0.466	8	109.3623	0.217	8	108.6220	3.629	14	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(OC[5])	109.4580	0.000	1	109.4580	0.000	1	108.6220	3.629	14	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5,6a]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]N[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(OH)	H(OC[5])	O(C[5]C[5,6a]N[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(COO)(OH){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(OC[5])	109.4740	0.000	1	109.4740	0.000	1	109.9333	0.613	3	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5,6a]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]N[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(OH)	H(OC[5])	O(C[5]C[5,6a]N[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]N[5,6a]C[6a])(COO)(OH){1|H<1>,1|O<1>,4|C<3>}	H(OC[5])	110.1630	0.953	2	110.1630	0.909	2	109.9333	0.613	3	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]O)(OH)	H(OC[5])	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]O)(OH){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	109.5460	0.000	1	109.5460	0.000	1	109.4680	0.002	6	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CNO)(OH)	H(OC[5])	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CNO)(OH){1|H<1>,1|N<2>,2|C<3>}	H(OC[5])	109.4370	0.059	2	109.4370	0.004	2	109.4680	0.002	6	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[3]O)(OH)	H(OC[5])	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[3]O)(OH){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	109.4550	0.021	2	109.4550	0.000	2	109.4680	0.002	6	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]O)(CC[6a]O)(OH)	H(OC[5])	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]O)(CC[6a]O)(OH){1|O<1>,3|C<3>}	H(OC[5])	109.4780	0.000	1	109.4780	0.000	1	109.4680	0.002	6	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|Br<1>,1|O<1>,2|H<1>,6|C<3>}	H(OC[5])	108.1370	0.000	1	108.2806	1.651	5	108.2806	1.651	5	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	H(OC[5])	107.1555	1.090	2	108.2806	1.651	5	108.2806	1.651	5	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	H(OC[5])	109.4830	0.000	1	108.2806	1.651	5	108.2806	1.651	5	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,3|H<1>,6|C<3>}	H(OC[5])	109.4720	0.000	1	108.2806	1.651	5	108.2806	1.651	5	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]O)(C[5]N[5,5]O)(CNO)(OH){1|H<1>,2|C<4>}	H(OC[5])	100.5390	0.000	1	100.5390	0.000	1	107.2233	34.761	3	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]O)2(CCC)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]O)2(CCC)(OH){2|C<3>}	H(OC[5])	109.4470	0.000	1	109.4470	0.000	1	107.2233	34.761	3	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]O)2(CCN)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]O)2(CCN)(OH){2|C<3>}	H(OC[5])	111.6840	0.000	1	111.6840	0.000	1	107.2233	34.761	3	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH)	H(OC[5])	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)(OH){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(OC[5])	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(OH){1|H<1>,9|C<3>}	H(OC[5])	108.0210	0.000	1	108.0210	0.000	1	106.5770	4.170	2	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OH){1|C<4>,1|H<1>,8|C<3>}	H(OC[5])	105.1330	0.000	1	105.1330	0.000	1	106.5770	4.170	2	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:N-3:O-2:	O-2:	O(C[5]C[5]2N)(H)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH)	H(OC[5])	O(C[5]C[5]2N)(H)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NCH)(OH){2|C<3>}	H(OC[5])	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5]-3:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)(OH){2|H<1>,2|O<2>,7|C<3>}	H(OC[5])	103.7925	2.642	2	103.7925	6.983	2	103.7925	6.983	2	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCO)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCO)(OH){1|C<4>,1|O<1>}	H(OC[5])	108.0360	0.000	1	108.0360	0.000	1	108.7350	0.977	2	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)(OH){1|H<1>,3|C<3>}	H(OC[5])	109.4340	0.000	1	109.4340	0.000	1	108.7350	0.977	2	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	H(OC[5])	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(OH){3|C<3>,3|H<1>}	H(OC[5])	109.4990	0.000	1	109.4990	0.000	1	109.2382	0.269	4	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(OH){1|O<1>,2|H<1>,3|C<3>}	H(OC[5])	109.5000	0.000	1	109.5000	0.000	1	109.2382	0.269	4	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)(OH){1|O<1>,2|H<1>,3|C<3>}	H(OC[5])	108.4610	0.000	1	108.4610	0.000	1	109.2382	0.269	4	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-3:N[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(OH){1|O<1>,2|H<1>,3|C<3>}	H(OC[5])	109.4930	0.000	1	109.4930	0.000	1	109.2382	0.269	4	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	N[5,5]-3:C[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]N[5,5]C[6a]C[5])(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C[6])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]N[5,5]C[6a]C[5])(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	H(OC[5])	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:3:2:	2:	C[5]-4:H-1:	N[5,5a]-3:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]N[5,5a]C[6a]C[5])(H)	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH)	H(OC[5])	O(C[5]N[5,5a]C[6a]C[5])(H)	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]S[5]C)(OH){1|N<2>,2|H<1>,3|C<3>}	H(OC[5])	109.4295	0.005	2	109.4295	0.000	2	109.4295	0.000	2	108.7408	4.751	190	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,5a]-3:C[5,6a]-3:C-4:O-2:	O-2:	O(C[5]C[5,5a]C[5,6a]C)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5,5a]C[5,6a]C)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(OH){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	H(OC[5])	109.5005	0.008	2	109.5005	0.000	2	109.5005	0.000	2	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Fe)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Fe)(CH3)(OH){1|H<1>,3|C<3>}	H(OC[5])	109.4850	0.000	1	109.4850	0.000	1	109.4795	0.000	2	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(CH3)(OH){2|C<3>,2|H<1>}	H(OC[5])	109.4740	0.000	1	109.4740	0.000	1	109.4795	0.000	2	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	H(OC[5])	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(OC[5])	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCl2H)(OH)	H(OC[5])	O(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCl2H)(OH){1|H<1>,5|C<3>}	H(OC[5])	109.4517	0.040	3	109.4517	0.002	3	109.7611	0.302	8	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(OH){2|H<1>,4|C<3>}	H(OC[5])	109.4880	0.000	1	109.4880	0.000	1	109.7611	0.302	8	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]2C)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(OH){2|H<1>,4|C<3>}	H(OC[5])	110.0615	0.681	4	110.0615	0.464	4	109.7611	0.302	8	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5,6a]2C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH)	H(OC[5])	O(C[5]C[5,6a]2C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH){1|O<1>,3|H<1>,6|C<3>}	H(OC[5])	109.4380	0.000	1	109.4380	0.000	1	109.4388	0.001	5	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5,6a]2C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2O)(OH)	H(OC[5])	O(C[5]C[5,6a]2C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2O)(OH){2|H<1>,8|C<3>}	H(OC[5])	109.4423	0.034	3	109.4423	0.001	3	109.4388	0.001	5	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5,6a]2C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(OH)	H(OC[5])	O(C[5]C[5,6a]2C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(OH){3|C<4>,3|H<1>,4|C<3>}	H(OC[5])	109.4290	0.000	1	109.4290	0.000	1	109.4388	0.001	5	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(OC[5])	107.0320	3.410	2	107.0320	11.626	2	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(OC[5])	97.6670	0.000	1	97.6670	0.000	1	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)(OH){1|O<2>,3|C<3>}	H(OC[5])	110.1600	0.990	2	110.1600	0.980	2	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CCHH)(OH){1|H<1>,1|N<3>,3|C<3>}	H(OC[5])	106.4130	0.000	1	106.4130	0.000	1	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)(OH){1|H<1>,4|C<3>}	H(OC[5])	104.4210	0.000	1	104.4210	0.000	1	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH){1|H<1>,1|O<1>,4|C<3>}	H(OC[5])	106.0940	0.157	2	106.0940	0.025	2	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.4980	0.000	1	109.4980	0.000	1	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)(OH){2|C<3>,2|H<1>}	H(OC[5])	109.4680	0.000	1	109.4680	0.000	1	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.5060	0.000	1	109.5060	0.000	1	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	107.5590	2.700	2	108.1973	4.867	3	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){2|C<3>,2|H<1>}	H(OC[5])	109.4740	0.000	1	108.1973	4.867	3	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.4780	0.000	1	109.4780	0.000	1	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	107.7448	2.492	10	108.6407	4.002	26	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|H<1>,1|O<2>,2|C<3>}	H(OC[5])	109.4970	0.000	1	108.6407	4.002	26	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|H<1>,3|C<3>}	H(OC[5])	109.4780	0.000	1	108.6407	4.002	26	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	H(OC[5])	109.1596	1.543	14	108.6407	4.002	26	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(OH){2|C<3>,2|H<1>}	H(OC[5])	109.4900	0.000	1	109.4900	0.000	1	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(OH){2|C<3>,2|H<1>}	H(OC[5])	109.4830	0.018	2	109.4830	0.000	2	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(OH){2|C<3>,2|C<4>}	H(OC[5])	109.3580	0.000	1	109.3580	0.000	1	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	108.6332	2.656	12	108.6332	7.056	12	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(OH){2|C<3>,2|H<1>}	H(OC[5])	102.9840	0.000	1	102.9840	0.000	1	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.5025	0.009	2	109.4810	0.001	4	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){2|C<3>,2|H<1>}	H(OC[5])	109.4595	0.008	2	109.4810	0.001	4	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.4480	0.028	2	109.4480	0.001	2	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH){2|C<3>,2|H<1>}	H(OC[5])	109.4410	0.086	3	109.4410	0.007	3	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	110.2652	1.686	5	110.2652	2.844	5	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5a]HH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	105.5720	0.000	1	105.5720	0.000	1	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH){2|H<1>,4|C<3>}	H(OC[5])	109.4230	0.000	1	109.4230	0.000	1	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CH3)(OH){1|H<1>,4|C<3>}	H(OC[5])	109.4945	0.023	2	109.4945	0.001	2	108.5341	5.860	77	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]N[5])(C[5]C[5]HH)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(OC[5])	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	O-2:	O(C[5]C[5,6a]C[3,5]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH)	H(OC[5])	O(C[5]C[5,6a]C[3,5]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]C)(OH){1|Si<4>,1|O<2>,3|H<1>,5|C<3>}	H(OC[5])	105.7340	0.000	1	105.7340	0.000	1	108.8330	19.208	2	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[3,5]-4:O-2:	O-2:	O(C[5]C[5,6a]C[3,5]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH)	H(OC[5])	O(C[5]C[5,6a]C[3,5]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(OH){1|Si<4>,4|H<1>,5|C<3>}	H(OC[5])	111.9320	0.000	1	111.9320	0.000	1	108.8330	19.208	2	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2H)(OH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(OC[5])	109.4280	0.000	1	109.4280	0.000	1	105.3813	12.482	3	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){2|C<4>,3|H<1>,4|C<3>}	H(OC[5])	103.3580	0.634	2	103.3580	0.401	2	105.3813	12.482	3	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	111.1110	1.544	2	111.1110	2.385	2	109.3736	2.029	13	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH){1|Cl<1>,1|O<1>,2|C<3>}	H(OC[5])	109.4890	0.000	1	109.0898	1.856	5	109.3736	2.029	13	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	108.9900	1.552	4	109.0898	1.856	5	109.3736	2.029	13	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(OH)	H(OC[5])	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(OH){2|C<3>,3|H<1>}	H(OC[5])	108.8340	0.000	1	108.8340	0.000	1	109.3736	2.029	13	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OH){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	107.6220	0.000	1	107.6220	0.000	1	109.3736	2.029	13	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHN)(OH)	H(OC[5])	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHN)(OH){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	109.2310	1.921	2	109.2310	3.688	2	109.3736	2.029	13	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CBr2C)(OH)	H(OC[5])	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CBr2C)(OH){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	108.9740	0.000	1	108.9740	0.000	1	109.3736	2.029	13	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6a]N[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(OH){1|H<1>,1|O<1>,4|C<3>}	H(OC[5])	110.2940	0.000	1	110.2940	0.000	1	109.3736	2.029	13	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]O)2(CCCH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]O)2(CCCH)(OH){2|C<3>}	H(OC[5])	110.2815	2.621	2	110.2815	6.871	2	109.3537	5.403	8	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]O)2(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]O)2(CCHH)(OH){2|C<3>}	H(OC[5])	104.5560	0.000	1	104.5560	0.000	1	109.3537	5.403	8	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH){1|C<3>,1|C<4>}	H(OC[5])	109.4775	0.013	2	109.4775	0.000	2	109.3537	5.403	8	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH){1|C<3>}	H(OC[5])	111.8350	0.000	1	111.8350	0.000	1	109.3537	5.403	8	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH){1|C<4>}	H(OC[5])	109.4510	0.000	1	109.4510	0.000	1	109.3537	5.403	8	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH){1|C<3>}	H(OC[5])	109.4700	0.000	1	109.4700	0.000	1	109.3537	5.403	8	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2H)(OH)	H(OC[5])	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2H)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(OC[5])	109.4940	0.000	1	109.4940	0.000	1	107.8795	5.213	2	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2O)(OH)	H(OC[5])	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2O)(OH){2|O<1>,4|C<3>}	H(OC[5])	106.2650	0.000	1	106.2650	0.000	1	107.8795	5.213	2	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(OC[5])	109.4830	0.024	2	109.4803	0.000	3	109.4803	0.000	3	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){3|H<1>,5|C<3>}	H(OC[5])	109.4750	0.000	1	109.4803	0.000	3	109.4803	0.000	3	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CCHH)(OH){2|C<3>}	H(OC[5])	109.2640	0.000	1	109.2640	0.000	1	109.1648	1.310	11	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>}	H(OC[5])	108.2160	0.000	1	108.2160	0.000	1	109.1648	1.310	11	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCHH)(OH){1|O<1>,1|O<2>}	H(OC[5])	106.1120	0.000	1	106.1120	0.000	1	109.1648	1.310	11	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>}	H(OC[5])	109.4740	0.000	1	109.4740	0.000	1	109.1648	1.310	11	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(CC[6a]HH)(OH){1|C<3>,1|O<1>}	H(OC[5])	109.4540	0.000	1	109.4540	0.000	1	109.1648	1.310	11	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(OH){2|C<3>}	H(OC[5])	109.4670	0.000	1	109.4670	0.000	1	109.1648	1.310	11	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OH){2|C<3>}	H(OC[5])	110.2425	0.194	2	110.2425	0.038	2	109.1648	1.310	11	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]O)(N[5]C[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]O)(N[5]C[5]O)(CH3)(OH){1|H<1>,1|O<1>}	H(OC[5])	109.4900	0.000	1	109.4900	0.000	1	109.1648	1.310	11	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[5]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(OH){1|C<4>,1|S<1>}	H(OC[5])	109.4255	0.006	2	109.4255	0.000	2	109.1648	1.310	11	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	C[6a]-3:N[5]-3:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	H(OC[5])	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	N[5]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)(OH){4|C<3>}	H(OC[5])	109.4820	0.000	1	109.4820	0.000	1	109.5085	0.001	2	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	N[5]-3:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(OH){4|C<3>}	H(OC[5])	109.5350	0.000	1	109.5350	0.000	1	109.5085	0.001	2	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	H(OC[5])	109.4900	0.000	1	109.4900	0.000	1	106.8315	14.135	2	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	H(OC[5])	104.1730	0.000	1	104.1730	0.000	1	106.8315	14.135	2	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:3:4:2:	2:	C[5]-4:H-1:	N[5]-3:N[5]-3:C-4:O-2:	O-2:	O(C[5]N[5]2C)(H)	C[5](N[5]C[5]C)2(CC[6a]HH)(OH)	H(OC[5])	O(C[5]N[5]2C)(H)	C[5](N[5]C[5]C)2(CC[6a]HH)(OH){1|C<4>,1|H<1>,1|O<1>}	H(OC[5])	109.4815	0.060	2	109.4815	0.004	2	109.4815	0.004	2	108.8439	4.931	145	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]N[5])(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(OC[5])	106.0120	0.000	1	106.0120	0.000	1	106.0120	0.000	1	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6,6]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6]HH)(OH)(H){1|H<1>,5|C<4>}	H(OC[5])	101.7400	0.000	1	101.7400	0.000	1	101.7400	0.000	1	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]2)(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(OC[5])	109.4880	0.000	1	109.4880	0.000	1	109.3800	25.300	4	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(OC[5])	115.4320	0.000	1	115.4320	0.000	1	109.3800	25.300	4	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(OH)(H){1|O<1>,2|C<3>}	H(OC[5])	109.4850	0.000	1	109.4850	0.000	1	109.3800	25.300	4	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[5])	103.1150	0.000	1	103.1150	0.000	1	109.3800	25.300	4	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,5,6]-4:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(OH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(OC[5])	109.4790	0.035	2	109.4790	0.001	2	109.4790	0.001	2	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]2)(OH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(OC[5])	108.1680	0.000	1	108.1680	0.000	1	109.8855	3.490	10	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(OC[5])	109.4255	0.057	2	109.4255	0.003	2	109.8855	3.490	10	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H){1|O<2>,2|H<1>,4|C<3>}	H(OC[5])	109.4763	0.024	3	109.4698	0.001	4	109.8855	3.490	10	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(OH)(H){1|O<2>,3|C<3>,4|H<1>}	H(OC[5])	109.4500	0.000	1	109.4698	0.001	4	109.8855	3.490	10	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(OH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(OC[5])	112.2620	3.980	2	112.2620	15.837	2	109.8855	3.490	10	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(OH)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	H(OC[5])	109.4330	0.000	1	109.4330	0.000	1	109.8855	3.490	10	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(OH)(H){3|C<3>,5|C<4>}	H(OC[5])	101.1850	0.000	1	101.1850	0.000	1	108.3236	9.911	7	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]O[6])(OH)(H){1|C<4>,3|C<3>,3|H<1>}	H(OC[5])	109.5133	0.056	6	109.5133	0.003	6	108.3236	9.911	7	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(OH)(H){1|H<1>,3|C<3>}	H(OC[5])	104.0400	0.000	1	104.0400	0.000	1	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(OC[5])	110.7040	0.000	1	110.7040	0.000	1	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	H(OC[5])	107.4370	0.000	1	107.4370	0.000	1	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(OH)(H){1|O<2>,3|H<1>,4|C<3>}	H(OC[5])	109.4520	0.000	1	109.4520	0.000	1	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	H(OC[5])	109.4410	0.064	2	109.4410	0.004	2	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	109.4620	0.000	1	109.4622	0.000	4	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){1|O<2>,2|C<3>,2|H<1>}	H(OC[5])	109.4560	0.014	2	109.4622	0.000	4	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(OH)(H){2|C<3>,3|H<1>}	H(OC[5])	109.4750	0.000	1	109.4622	0.000	4	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	H(OC[5])	109.4390	0.000	1	109.2698	0.231	6	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){1|N<3>,2|C<3>,2|H<1>}	H(OC[5])	108.9040	0.867	2	109.2698	0.231	6	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){2|C<3>,3|H<1>}	H(OC[5])	109.4735	0.015	2	109.2698	0.231	6	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(OH)(H){2|H<1>,3|C<3>}	H(OC[5])	109.4250	0.000	1	109.2698	0.231	6	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(OC[5])	106.2560	0.000	1	109.7761	8.798	10	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	105.6470	0.000	1	109.7761	8.798	10	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){1|H<1>,3|C<3>}	H(OC[5])	109.4320	0.062	2	109.7761	8.798	10	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,3|H<1>}	H(OC[5])	110.9500	3.022	5	109.7761	8.798	10	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(OH)(H){2|H<1>,3|C<3>}	H(OC[5])	112.2440	0.000	1	109.7761	8.798	10	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(OH)(H){1|S<3>,2|C<3>,2|H<1>}	H(OC[5])	109.4610	0.000	1	109.4610	0.000	1	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(OH)(H){1|O<2>,2|C<3>,2|H<1>}	H(OC[5])	109.4715	0.012	2	109.4715	0.000	2	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	H(OC[5])	109.4170	0.000	1	109.4170	0.000	1	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(OH)(H){1|H<1>,1|O<1>,4|C<3>}	H(OC[5])	109.5040	0.000	1	109.5040	0.000	1	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(OH)(H){1|H<1>,5|C<3>}	H(OC[5])	107.7360	0.000	1	107.7360	0.000	1	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(OH)(H){1|H<1>,4|C<3>}	H(OC[5])	108.2960	0.000	1	108.2960	0.000	1	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<3>}	H(OC[5])	109.4680	0.000	1	109.4680	0.000	1	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(OH)(H){1|N<2>,3|C<3>,3|H<1>}	H(OC[5])	109.4920	0.000	1	109.4920	0.000	1	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	H(OC[5])	107.7430	1.808	3	107.7430	3.268	3	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(OH)(H){1|C<3>,1|H<1>,1|N<2>}	H(OC[5])	109.4825	0.062	2	109.4825	0.004	2	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5]H)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(OH)(H){2|C<3>,2|H<1>}	H(OC[5])	99.9515	0.000	1	99.9515	0.000	1	108.9319	5.382	41	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5,6a]-3:N[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6a]N[5]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(OH)(H)	H(OC[5])	O(C[5]C[5,6a]N[5]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(OH)(H){1|H<1>,3|C<3>}	H(OC[5])	109.4810	0.011	2	109.4810	0.000	2	109.4810	0.000	2	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	C[5]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5,6]O)(C[5]C[5,5]HH)(OH)(H){1|H<1>,3|C<4>}	H(OC[5])	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	N[5,6a]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]N[5,6a]C[5]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H)	H(OC[5])	O(C[5]N[5,6a]C[5]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	H(OC[5])	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	N[5]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[5a]C[5])(C[5]N[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[5a]C[5])(C[5]N[5]HO)(OH)(H){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	H(OC[5])	108.3520	0.000	1	108.3520	0.000	1	106.6206	48.546	11	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	N[5]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|O<1>,3|C<3>}	H(OC[5])	107.9310	0.000	1	106.7087	59.502	9	106.6206	48.546	11	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	N[5]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|S<1>,3|C<3>}	H(OC[5])	105.5783	9.502	6	106.7087	59.502	9	106.6206	48.546	11	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	N[5]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|Se<1>,3|C<3>}	H(OC[5])	109.4890	0.028	2	106.7087	59.502	9	106.6206	48.546	11	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:1:	2:	C[5]-4:H-1:	N[5]-3:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|S<1>,2|C<3>}	H(OC[5])	104.0960	0.000	1	104.0960	0.000	1	106.6206	48.546	11	108.6217	12.413	81	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:2:	2:	C[5]-4:H-1:	C[5,6]-3:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(OC[5])	109.4550	0.000	1	108.7305	1.050	2	108.7305	1.050	2	108.8902	0.637	5	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:2:	2:	C[5]-4:H-1:	C[5,6]-3:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]2C)(O[5]C[5])(OH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(OC[5])	108.0060	0.000	1	108.7305	1.050	2	108.7305	1.050	2	108.8902	0.637	5	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:2:	2:	C[5]-4:H-1:	C[5a]-3:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5]C[5a]C[5]O[5])(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]N[5])(OH)	H(OC[5])	O(C[5]C[5a]C[5]O[5])(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]N[5])(OH){1|H<1>,3|C<3>}	H(OC[5])	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	108.8902	0.637	5	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-2:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[5])	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	108.8902	0.637	5	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:2:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH)	H(OC[5])	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH){2|H<1>,3|C<3>}	H(OC[5])	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	108.8902	0.637	5	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,5a]-3:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,5a]C[5]C)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(COO)(OH)	H(OC[5])	O(C[5]C[5,5a]C[5]C)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(COO)(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[5])	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6]-3:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(OH){1|O<1>,2|C<4>}	H(OC[5])	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5,5]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5,5]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,5|C<3>}	H(OC[5])	109.4430	0.014	2	109.4430	0.000	2	109.4430	0.000	2	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCC)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCC)(OH){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	108.7870	0.000	1	108.7870	0.000	1	109.0470	0.885	8	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(COO)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(COO)(OH){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	109.4610	0.000	1	109.4610	0.000	1	109.0470	0.885	8	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(COO)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]OO)(COO)(OH){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	108.1325	1.892	2	108.1325	3.578	2	109.0470	0.885	8	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCH)(OH){2|H<1>,4|C<3>}	H(OC[5])	109.4530	0.000	1	109.4530	0.000	1	109.0470	0.885	8	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(COO)(OH){1|H<1>,3|C<3>}	H(OC[5])	109.4530	0.000	1	109.4530	0.000	1	109.0470	0.885	8	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(COO)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(COO)(OH){1|H<1>,2|C<3>}	H(OC[5])	109.4880	0.000	1	109.4880	0.000	1	109.0470	0.885	8	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(CNO)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(CNO)(OH){1|H<1>,2|C<3>}	H(OC[5])	109.4690	0.000	1	109.4690	0.000	1	109.0470	0.885	8	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]C)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]C)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(OC[5])	109.5010	0.000	1	109.5010	0.000	1	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(OC[5])	109.4480	0.000	1	109.4480	0.000	1	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(OC[5])	110.0707	0.534	3	108.8018	6.572	6	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|Cl<1>,1|O<2>,2|H<1>,5|C<3>}	H(OC[5])	103.6490	0.000	1	108.8018	6.572	6	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(OC[5])	109.4810	0.000	1	108.8018	6.572	6	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(OC[5])	109.4690	0.000	1	108.8018	6.572	6	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(OC[5])	109.4410	0.000	1	109.8515	0.337	2	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(OC[5])	110.2620	0.000	1	109.8515	0.337	2	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH){1|O<1>,4|C<3>,4|H<1>}	H(OC[5])	109.4790	0.000	1	109.4915	0.000	2	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH){1|O<2>,4|C<3>,5|H<1>}	H(OC[5])	109.5040	0.000	1	109.4915	0.000	2	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(OC[5])	109.5070	0.000	1	109.4740	0.001	3	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(OC[5])	109.4480	0.000	1	109.4740	0.001	3	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(C[5]N[5]O)(OH){1|H<1>,1|N<2>,1|O<1>,2|C<4>,3|C<3>}	H(OC[5])	109.4670	0.000	1	109.4740	0.001	3	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]N[5]O)(OH){2|C<4>,2|H<1>,3|C<3>}	H(OC[5])	109.4390	0.000	1	109.4390	0.000	1	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5]H)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(OC[5])	109.4485	0.004	2	109.4485	0.000	2	109.2891	2.093	18	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6a]C[5])(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	H(OC[5])	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(N[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(N[5]C[5]C)(OH){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<3>}	H(OC[5])	110.1250	0.000	1	110.1250	0.000	1	109.6827	0.149	3	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(N[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(N[5]C[5]C)(OH){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(OC[5])	109.4615	0.073	2	109.4615	0.005	2	109.6827	0.149	3	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5]N[5]O)(OH){1|H<1>,2|C<4>,5|C<3>}	H(OC[5])	109.4365	0.026	2	109.4365	0.001	2	108.6177	1.507	6	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(OC[5])	108.3760	1.237	2	107.8000	1.761	3	108.6177	1.507	6	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]O)(OH){2|C<4>,3|H<1>,4|C<3>}	H(OC[5])	106.6480	0.000	1	107.8000	1.761	3	108.6177	1.507	6	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(OC[5])	109.4330	0.000	1	109.4330	0.000	1	108.6177	1.507	6	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6]-4:N[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[6]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2O)(N[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5,6a]C[6]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2O)(N[5]C[5]C)(OH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(OC[5])	109.4560	0.021	2	109.4560	0.000	2	109.4560	0.000	2	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCO)(OH){1|H<1>,2|O<2>,3|C<4>}	H(OC[5])	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)(OH){3|C<3>,3|H<1>}	H(OC[5])	111.6330	0.000	1	111.6330	0.000	1	109.1192	2.286	14	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,3|H<1>}	H(OC[5])	109.5030	0.000	1	109.5030	0.000	1	109.1192	2.286	14	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)(OH){1|C<4>,2|H<1>,3|C<3>}	H(OC[5])	109.4900	0.000	1	109.4900	0.000	1	109.1192	2.286	14	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)(OH){3|C<3>,4|H<1>}	H(OC[5])	109.4730	0.000	1	109.4730	0.000	1	109.1192	2.286	14	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(OC[5])	109.4700	0.000	1	109.4700	0.000	1	109.1192	2.286	14	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)(OH){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(OC[5])	109.4620	0.000	1	109.4620	0.000	1	109.1192	2.286	14	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(OH){2|C<3>,5|H<1>}	H(OC[5])	106.7165	2.975	2	106.7165	8.849	2	109.1192	2.286	14	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(OH){2|C<3>,2|C<4>,2|H<1>}	H(OC[5])	109.4580	0.000	1	109.4580	0.000	1	109.1192	2.286	14	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]O)(OH){2|C<3>,4|H<1>}	H(OC[5])	107.8130	0.000	1	107.8130	0.000	1	109.1192	2.286	14	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]C)(OH){2|H<1>,3|C<3>}	H(OC[5])	109.4810	0.000	1	109.4810	0.000	1	109.1192	2.286	14	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|C<3>,2|H<1>}	H(OC[5])	109.4790	0.000	1	109.4843	0.000	3	109.1192	2.286	14	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]C)(OH){2|C<3>,4|H<1>}	H(OC[5])	109.4870	0.011	2	109.4843	0.000	3	109.1192	2.286	14	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]C[5]H)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]C[5]H)(OH){1|C<2>,1|O<1>,4|C<3>,4|H<1>}	H(OC[5])	109.4680	0.000	1	109.4680	0.000	1	108.4516	4.865	9	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[5])	106.2933	2.800	3	108.3245	5.394	8	108.4516	4.865	9	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.4740	0.007	2	108.3245	5.394	8	108.4516	4.865	9	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(OH){2|H<1>,3|C<3>}	H(OC[5])	109.5893	1.062	3	108.3245	5.394	8	108.4516	4.865	9	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	N[5]-3:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH){1|H<1>,5|C<3>}	H(OC[5])	109.4360	0.017	2	109.4553	0.001	3	109.4495	0.001	4	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	N[5]-3:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH){2|H<1>,4|C<3>}	H(OC[5])	109.4940	0.000	1	109.4553	0.001	3	109.4495	0.001	4	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	N[5]-3:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CHO)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CHO)(OH){3|C<3>}	H(OC[5])	109.4320	0.000	1	109.4320	0.000	1	109.4495	0.001	4	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:3:2:	2:	C[5]-4:H-1:	N[5]-3:C[5]-4:C[6a]-3:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(OH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(OC[5])	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	109.0502	2.012	71	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,5a]-3:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5a]C[5]C)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCl3)(OH)	H(OC[5])	O(C[5]C[5,5a]C[5]C)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCl3)(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[5])	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(OC[5])	109.4790	0.000	1	109.4790	0.000	1	110.2702	45.994	7	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(OC[5])	117.9770	1.672	2	117.9770	2.794	2	110.2702	45.994	7	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH){1|C<4>,2|H<1>,3|C<3>}	H(OC[5])	109.4655	0.035	2	109.5057	0.005	3	110.2702	45.994	7	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH){1|H<1>,2|C<4>,3|C<3>}	H(OC[5])	109.5860	0.000	1	109.5057	0.005	3	110.2702	45.994	7	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5,5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CH3)(OH){1|C<4>,2|H<1>,3|C<3>}	H(OC[5])	97.9417	0.000	1	97.9417	0.000	1	110.2702	45.994	7	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5,6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5,6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(OH){2|C<4>,4|C<3>,4|H<1>}	H(OC[5])	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(OH){2|C<3>,3|H<1>}	H(OC[5])	109.0340	0.000	1	109.0340	0.000	1	109.1766	0.242	10	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(OH){1|H<1>,3|C<3>}	H(OC[5])	109.2150	0.000	1	109.2150	0.000	1	109.1766	0.242	10	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCFF)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCFF)(OH){2|C<3>,3|H<1>}	H(OC[5])	109.4735	0.011	2	109.4735	0.000	2	109.1766	0.242	10	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)(OH){2|C<3>,3|H<1>}	H(OC[5])	108.7060	0.000	1	108.7060	0.000	1	109.1766	0.242	10	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCl2H)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCl2H)(OH){1|O<1>,1|O<2>,2|C<3>}	H(OC[5])	109.4520	0.000	1	109.4520	0.000	1	109.1766	0.242	10	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH){1|N<3>,2|C<3>,2|H<1>}	H(OC[5])	109.5060	0.000	1	108.7480	1.149	2	109.1766	0.242	10	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH){1|O<2>,2|C<3>,2|H<1>}	H(OC[5])	107.9900	0.000	1	108.7480	1.149	2	109.1766	0.242	10	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RuC)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RuC)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.4070	0.000	1	109.4070	0.000	1	109.1766	0.242	10	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CH3)(OH){1|C<4>,1|H<1>,4|C<3>}	H(OC[5])	109.5090	0.000	1	109.5090	0.000	1	109.1766	0.242	10	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6]-4:C[5]-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH){1|C<4>,4|C<3>,5|H<1>}	H(OC[5])	109.5020	0.000	1	109.5050	0.001	3	109.5050	0.001	3	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5,6a]-3:C[6]-4:C[5]-4:O-2:	O-2:	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]HH)(OH){2|C<4>,4|C<3>,4|H<1>}	H(OC[5])	109.5065	0.045	2	109.5050	0.001	3	109.5050	0.001	3	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[5]-3:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CCHH)(OH){1|C<4>,1|O<2>}	H(OC[5])	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<3>,6|H<1>}	H(OC[5])	109.4795	0.035	2	108.3115	5.372	4	108.1929	3.082	15	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(OH){4|C<3>,4|H<1>}	H(OC[5])	107.1435	3.265	2	108.3115	5.372	4	108.1929	3.082	15	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(OH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(OC[5])	109.4970	0.000	1	109.4970	0.000	1	108.1929	3.082	15	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]HH)(OH){1|S<4>,2|C<3>,4|H<1>}	H(OC[5])	107.2180	0.000	1	107.2180	0.000	1	108.1929	3.082	15	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HN)(OH){3|H<1>,5|C<3>}	H(OC[5])	109.4890	0.000	1	109.4890	0.000	1	108.1929	3.082	15	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(OH){2|C<3>,4|H<1>}	H(OC[5])	106.6880	0.000	1	106.6880	0.000	1	108.1929	3.082	15	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5,5]HH)2(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5,5]HH)2(OH){2|C<3>,2|C<4>,3|H<1>}	H(OC[5])	108.4004	1.597	5	108.4004	2.552	5	108.1929	3.082	15	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)2(OH){1|N<3>,3|C<3>,3|H<1>}	H(OC[5])	109.4540	0.000	1	109.4540	0.000	1	108.1929	3.082	15	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C[6]H)(C[5]C[5]CH)(OH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(OC[5])	105.3000	0.000	1	105.3000	0.000	1	108.1929	3.082	15	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	3:4:4:2:	2:	C[5]-4:H-1:	N[5]-3:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(CClHH)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(CClHH)(OH){1|N<3>,2|C<3>}	H(OC[5])	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	109.0368	9.055	39	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[3,5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[3,5]O[5]H)(H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[3,5]O[5]H)(H)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[5])	109.4330	0.000	1	109.4330	0.000	1	101.4110	128.705	2	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[3,5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[3,5]O[5]H)(H)	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[3,5]O[5]H)(H)	C[5](C[3,5]N[3,5]C[3]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	93.3890	0.000	1	93.3890	0.000	1	101.4110	128.705	2	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,5,6]O[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(O[5]C[5,6a])(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]O[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(O[5]C[5,6a])(OH)(H){2|H<1>,3|C<3>,3|C<4>}	H(OC[5])	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(OH)(H)	H(OC[5])	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5,5])(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(OC[5])	107.4810	0.000	1	107.4810	0.000	1	108.0405	3.140	14	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[3x6]C[5,5]O[5])(O[5]C[5])(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(OC[5])	104.2470	0.000	1	104.2470	0.000	1	108.0405	3.140	14	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H)	H(OC[5])	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(OC[5])	105.8660	0.000	1	106.9943	1.049	3	108.0405	3.140	14	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H)	H(OC[5])	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(OH)(H){1|O<2>,3|C<4>,3|H<1>}	H(OC[5])	107.5585	0.433	2	106.9943	1.049	3	108.0405	3.140	14	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,5|H<1>}	H(OC[5])	109.4800	0.000	1	109.4800	0.000	1	108.0405	3.140	14	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]C[6]O[5])(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]C[6]O[5])(O[5]C[5])(OH)(H){1|O<2>,3|C<4>,4|H<1>}	H(OC[5])	108.8150	0.000	1	108.8150	0.000	1	108.0405	3.140	14	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[5])	106.9180	0.000	1	106.9180	0.000	1	108.0405	3.140	14	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(OC[5])	111.0150	0.000	1	109.0272	2.446	5	108.0405	3.140	14	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	107.7550	0.000	1	109.0272	2.446	5	108.0405	3.140	14	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[5])	108.7887	1.422	3	109.0272	2.446	5	108.0405	3.140	14	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,5]O[5]H)(H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(OH)(H){4|C<4>,4|H<1>}	H(OC[5])	109.5070	0.000	1	109.5070	0.000	1	108.0405	3.140	14	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,6,6]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6,6]O[5]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6,6]O[5]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(OH)(H){2|O<2>,4|C<4>,4|H<1>}	H(OC[5])	110.4400	2.007	2	110.4400	4.027	2	110.4400	4.027	2	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H)	H(OC[5])	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[5])	109.4580	0.000	1	109.4580	0.000	1	106.5644	16.724	13	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(OH)(H)	H(OC[5])	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(OC[5])	109.4580	0.000	1	109.4580	0.000	1	106.5644	16.724	13	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(OH)(H){2|H<1>,5|C<4>}	H(OC[5])	102.4750	0.000	1	102.4750	0.000	1	106.5644	16.724	13	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(OH)(H){1|O<1>,5|C<4>}	H(OC[5])	109.4550	0.000	1	109.4550	0.000	1	106.5644	16.724	13	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(OH)(H){1|C<3>,1|O<1>,3|C<4>}	H(OC[5])	106.8350	2.726	3	106.8350	7.433	3	106.5644	16.724	13	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OH)(H)	H(OC[5])	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(OH)(H){2|C<4>,5|H<1>}	H(OC[5])	95.0826	0.000	1	95.0826	0.000	1	106.5644	16.724	13	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[5])	106.9200	0.420	2	107.7653	2.232	3	106.5644	16.724	13	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(OH)(H){1|C<4>,2|C<3>,4|H<1>}	H(OC[5])	109.4560	0.000	1	107.7653	2.232	3	106.5644	16.724	13	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5,6])(OH)(H)	H(OC[5])	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(O[5]C[5,6])(OH)(H){3|C<4>,3|H<1>}	H(OC[5])	108.0130	0.000	1	108.0130	0.000	1	106.5644	16.724	13	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6]O[5]H)(H)	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(OC[5])	107.5940	0.000	1	107.5940	0.000	1	106.5644	16.724	13	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[4,5,5]BrH)(O[5]C[4,5])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[4,5,5]BrH)(O[5]C[4,5])(OH)(H){4|C<4>}	H(OC[5])	109.4330	0.000	1	109.4330	0.000	1	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,4x6]HH)(O[5]C[5,3x6])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,4x6]HH)(O[5]C[5,3x6])(OH)(H){4|C<4>}	H(OC[5])	109.4700	0.000	1	109.4700	0.000	1	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,5,6]HH)(O[5]C[5,5,6])(OH)(H){1|H<1>,1|P<4>,2|C<4>}	H(OC[5])	109.4490	0.000	1	109.4490	0.000	1	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(OH)(H){1|O<2>,2|H<1>,4|C<4>}	H(OC[5])	109.1465	0.006	2	109.1465	0.000	2	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	109.4650	0.000	1	109.4650	0.000	1	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(OC[5])	109.5200	0.000	1	109.4745	0.004	2	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(OH)(H){1|C<4>,2|C<3>}	H(OC[5])	109.4290	0.000	1	109.4745	0.004	2	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(OH)(H){1|H<1>,3|C<4>}	H(OC[5])	111.5300	0.000	1	111.5300	0.000	1	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(OH)(H){1|C<3>,1|O<2>,2|C<4>}	H(OC[5])	103.3030	0.000	1	103.3030	0.000	1	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(OH)(H){2|C<3>}	H(OC[5])	108.5530	0.000	1	108.5530	0.000	1	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	109.4590	0.000	1	109.4590	0.000	1	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|H<1>,1|O<1>}	H(OC[5])	109.4582	0.020	4	109.4600	0.000	6	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	109.4635	0.025	2	109.4600	0.000	6	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	116.1660	0.000	1	116.1660	0.000	1	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(OH)(H){4|H<1>}	H(OC[5])	109.5070	0.000	1	109.5070	0.000	1	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(OH)(H){1|C<3>,2|C<4>}	H(OC[5])	112.7200	2.669	2	112.7200	7.122	2	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:2:1:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	O-2:	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5]O[5]H)(H)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(OH)(H){2|H<1>,4|C<3>}	H(OC[5])	107.5070	0.000	1	107.5070	0.000	1	109.7080	5.408	23	108.2617	12.673	55	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-3:O-2:	O-2:	O(C[5]C[5,6]O[5]C)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH)	H(OC[5])	O(C[5]C[5,6]O[5]C)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCH)(OH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(OC[5])	105.6780	0.000	1	105.6780	0.000	1	105.6780	0.000	1	108.4400	3.032	6	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:3:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CC)(O[5]N[5])(CC[6a]O)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CC)(O[5]N[5])(CC[6a]O)(OH){1|C<3>}	H(OC[5])	109.5020	0.000	1	109.5020	0.000	1	108.9924	1.501	5	108.4400	3.032	6	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:3:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(OH){1|C<3>}	H(OC[5])	108.2295	2.016	2	108.2295	4.064	2	108.9924	1.501	5	108.4400	3.032	6	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:3:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCO)(OH){1|C<4>,3|H<1>}	H(OC[5])	109.5210	0.000	1	109.5210	0.000	1	108.9924	1.501	5	108.4400	3.032	6	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:3:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-3:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(COO)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(COO)(OH){1|C<3>,2|H<1>}	H(OC[5])	109.4800	0.000	1	109.4800	0.000	1	108.9924	1.501	5	108.4400	3.032	6	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5,5,6]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5,5,6]O[5]C)(H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CFFS)(OH)	H(OC[5])	O(C[5]C[5,5,6]O[5]C)(H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CFFS)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(OC[5])	115.4090	0.000	1	115.4090	0.000	1	115.4090	0.000	1	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(CCHH)(OH)	H(OC[5])	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	H(OC[5])	108.7430	0.000	1	108.7430	0.000	1	107.8491	13.057	8	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5,6])(CH3)(OH)	H(OC[5])	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5,6])(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(OC[5])	107.6890	0.000	1	107.6890	0.000	1	107.8491	13.057	8	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(CH3)(OH)	H(OC[5])	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(CH3)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(OC[5])	109.4560	0.010	2	109.4560	0.000	2	107.8491	13.057	8	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCCH)(OH)	H(OC[5])	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCCH)(OH){1|H<1>,1|O<1>,4|C<4>}	H(OC[5])	109.4230	0.000	1	109.4230	0.000	1	107.8491	13.057	8	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(OH)	H(OC[5])	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	H(OC[5])	99.0436	0.000	1	99.0436	0.000	1	107.8491	13.057	8	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5]O[5]O)(O[5]C[5])(CCHH)(OH)	H(OC[5])	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,5]O[5]O)(O[5]C[5])(CCHH)(OH){1|H<1>,4|C<4>}	H(OC[5])	109.5160	0.000	1	109.5160	0.000	1	107.8491	13.057	8	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CC3)(OH)	H(OC[5])	O(C[5]C[5,5]O[5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CC3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(OC[5])	109.4660	0.000	1	109.4660	0.000	1	107.8491	13.057	8	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5,6]O[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]O[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH){3|H<1>,4|C<4>}	H(OC[5])	109.1760	0.041	2	109.1760	0.002	2	109.2970	0.045	3	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5,6]O[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH)	H(OC[5])	O(C[5]C[5,6]O[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH){1|H<1>,1|O<2>,5|C<4>}	H(OC[5])	109.5390	0.000	1	109.5390	0.000	1	109.2970	0.045	3	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)(OH){1|C<3>,2|C<4>}	H(OC[5])	109.4720	0.000	1	109.4720	0.000	1	108.4344	4.477	7	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CH3)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CH3)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[5])	105.8285	2.801	2	105.8285	7.845	2	108.4344	4.477	7	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]N[5]HH)(N[5]C[5])(CHII)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]N[5]HH)(N[5]C[5])(CHII)(OH){1|C<3>,1|S<4>}	H(OC[5])	109.4960	0.000	1	109.4960	0.000	1	108.4344	4.477	7	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]O[5]CH)(N[5]C[5])(CF3)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]O[5]CH)(N[5]C[5])(CF3)(OH){1|C<3>}	H(OC[5])	109.4820	0.023	2	109.4820	0.001	2	108.4344	4.477	7	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]S[5]CH)(N[5]C[5])(CF3)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]S[5]CH)(N[5]C[5])(CF3)(OH){1|C<3>}	H(OC[5])	109.4520	0.000	1	109.4520	0.000	1	108.4344	4.477	7	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)(OH){1|C<4>,1|N<3>,2|C<3>}	H(OC[5])	113.6170	0.000	1	113.6170	0.000	1	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH){1|C<4>,1|H<1>,2|O<2>}	H(OC[5])	109.9090	0.000	1	109.9090	0.000	1	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(OH){1|O<2>,3|C<4>}	H(OC[5])	105.0035	3.666	2	105.0035	13.442	2	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CF3)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CF3)(OH){2|C<3>}	H(OC[5])	109.4670	0.000	1	109.4670	0.000	1	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>}	H(OC[5])	109.4670	0.000	1	109.4670	0.000	1	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	H(OC[5])	109.5040	0.000	1	109.4893	0.001	3	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,3|C<3>}	H(OC[5])	109.4820	0.040	2	109.4893	0.001	3	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	109.4640	0.000	1	109.4640	0.000	1	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(OH){1|O<1>,2|C<4>}	H(OC[5])	109.4210	0.000	1	109.4210	0.000	1	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(OH){1|C<4>,3|H<1>}	H(OC[5])	110.1493	1.158	3	110.1493	1.340	3	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH){1|C<4>,3|H<1>}	H(OC[5])	109.4592	0.049	5	109.4592	0.002	5	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	H(OC[5])	109.4650	0.000	1	109.4650	0.000	1	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	H(OC[5])	109.4150	0.000	1	109.4150	0.000	1	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH){2|C<4>,2|H<1>}	H(OC[5])	110.8000	2.242	3	110.8000	5.026	3	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CF3)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CF3)(OH){1|C<2>,1|C<3>}	H(OC[5])	109.4520	0.000	1	109.4520	0.000	1	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OH){2|C<3>,2|H<1>}	H(OC[5])	141.5620	0.000	1	141.5620	0.000	1	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]O[5])(CF3)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HH)(O[5]O[5])(CF3)(OH){1|C<4>,1|O<2>}	H(OC[5])	109.6605	1.341	2	109.6605	1.799	2	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	107.1770	0.000	1	107.1770	0.000	1	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	109.4520	0.000	1	109.4520	0.000	1	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:2:4:2:	2:	C[5]-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	O-2:	O(C[5]C[5]O[5]C)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH)	H(OC[5])	O(C[5]C[5]O[5]C)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH){2|C<4>}	H(OC[5])	109.5000	0.000	1	109.5000	0.000	1	110.4938	36.490	31	109.8088	26.606	50	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[3x5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[3x5]C[5]H)(H)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[3x5]C[5]H)(H)	C[5](C[3x5]C[4x5]C[5,5]C[5])(C[5]O[5]O)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	H(OC[5])	109.4705	0.028	2	109.4705	0.001	2	109.4707	0.000	3	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[3x5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[3x5]C[5]H)(H)	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[3x5]C[5]H)(H)	C[5](C[3x5]C[5,5]2C[5])(C[5]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(OC[5])	109.4710	0.000	1	109.4710	0.000	1	109.4707	0.000	3	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[4,5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(OC[5])	109.4690	0.034	2	109.4690	0.001	2	109.4690	0.001	2	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,3x6]C[5]H)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	H(OC[5])	O(C[5]C[5,3x6]C[5]H)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	H(OC[5])	105.7163	2.102	3	105.1522	4.219	4	106.0164	6.898	5	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,3x6]C[5]H)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H)	H(OC[5])	O(C[5]C[5,3x6]C[5]H)(H)	C[5](C[5,3x6]C[3x6]2C[5,6])(C[5]C[5,6]C)(OH)(H){3|H<1>,3|O<2>,4|C<4>}	H(OC[5])	103.4600	0.000	1	105.1522	4.219	4	106.0164	6.898	5	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,3x6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,3x6]C[5]H)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,3x6]C[5]H)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(OC[5])	109.4730	0.000	1	109.4730	0.000	1	106.0164	6.898	5	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]Si)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]Si)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(OC[5])	109.5560	0.000	1	109.5560	0.000	1	107.7704	8.609	5	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]O[5]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	H(OC[5])	102.5990	0.000	1	102.5990	0.000	1	107.7704	8.609	5	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(OH)(H){4|H<1>,5|C<4>}	H(OC[5])	109.4640	0.000	1	109.4640	0.000	1	107.7704	8.609	5	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(OC[5])	108.2960	0.000	1	108.2960	0.000	1	107.7704	8.609	5	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,6]2O[5])(C[5]O[5]O)(OH)(H){1|H<1>,5|C<4>}	H(OC[5])	108.9370	0.000	1	108.9370	0.000	1	107.7704	8.609	5	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5,6]N[5]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]N[5]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(OC[5])	108.3620	0.000	1	109.1995	0.312	4	109.1995	0.312	4	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5,6]N[5]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]N[5]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(OC[5])	109.4787	0.007	3	109.1995	0.312	4	109.1995	0.312	4	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){2|H<1>,2|N<3>,4|C<3>}	H(OC[5])	109.5030	0.000	1	109.5030	0.000	1	106.8329	11.800	10	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,1|O<2>,5|C<3>}	H(OC[5])	106.4800	0.699	2	106.4800	0.488	2	106.8329	11.800	10	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(OC[5])	106.5523	4.037	7	106.5523	16.297	7	106.8329	11.800	10	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a])(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[6a])(OH)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(OC[5])	107.4830	0.000	1	107.4830	0.000	1	108.8732	4.500	23	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(OH)(H){1|O<2>,3|C<4>}	H(OC[5])	109.4790	0.000	1	109.4790	0.000	1	108.8732	4.500	23	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6,6]C[5,6a]H)(C[5]N[5,6]O)(OH)(H){1|N<3>,2|C<3>,2|C<4>}	H(OC[5])	108.5256	2.907	5	108.5256	8.449	5	108.8732	4.500	23	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5]O)(OH)(H){2|H<1>,4|C<4>}	H(OC[5])	108.5345	3.540	2	108.5345	12.535	2	108.8732	4.500	23	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(OC[5])	109.4650	0.000	1	109.4650	0.000	1	108.8732	4.500	23	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(OH)(H){2|C<3>,3|H<1>}	H(OC[5])	109.4930	0.000	1	109.4930	0.000	1	108.8732	4.500	23	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(OH)(H){1|H<1>,2|C<4>}	H(OC[5])	106.4803	2.871	3	106.4803	8.243	3	108.8732	4.500	23	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]C)(OH)(H){1|H<1>,3|C<4>}	H(OC[5])	110.4535	1.397	2	110.4535	1.950	2	108.8732	4.500	23	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]C)(OH)(H){1|C<4>,2|C<3>,2|O<1>}	H(OC[5])	109.4450	0.000	1	109.4450	0.000	1	108.8732	4.500	23	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]O)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	H(OC[5])	110.0733	1.101	3	110.0733	1.212	3	108.8732	4.500	23	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	H(OC[5])	109.4847	0.012	3	109.4847	0.000	3	108.8732	4.500	23	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5]N[5]H)(H)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,5]N[5]H)(H)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(OH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(OC[5])	109.5090	0.000	1	109.5090	0.000	1	109.4970	0.000	2	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,5]N[5]H)(H)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(OH)(H)	H(OC[5])	O(C[5]C[5,5]N[5]H)(H)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(OH)(H){3|C<3>,4|C<4>}	H(OC[5])	109.4850	0.000	1	109.4850	0.000	1	109.4970	0.000	2	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6,6]-4:C[5,6a]-3:O-2:H-1:	O-2:	O(C[5]C[5,6,6]C[5,6a]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])(OH)(H)	H(OC[5])	O(C[5]C[5,6,6]C[5,6a]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(OC[5])	109.4310	0.000	1	109.4310	0.000	1	109.4310	0.000	1	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5]C[5,6]C)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[5])	109.4920	0.000	1	109.4920	0.000	1	108.8753	1.529	7	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(OC[5])	109.0270	1.302	5	108.7725	1.746	6	108.8753	1.529	7	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(OH)(H){4|C<4>,6|H<1>}	H(OC[5])	107.5000	0.000	1	108.7725	1.746	6	108.8753	1.529	7	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6,6]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6,6]N[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6,6]N[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(OC[5])	109.4780	0.018	2	109.4780	0.000	2	109.4780	0.000	2	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]2H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H)	H(OC[5])	O(C[5]C[5,6]2H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(OH)(H){1|O<1>,2|C<3>,5|C<4>}	H(OC[5])	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>}	H(OC[5])	109.4910	0.000	1	109.4910	0.000	1	108.9984	2.241	10	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[5,6]C)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	H(OC[5])	107.1065	3.348	2	107.1065	11.210	2	108.9984	2.241	10	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,7|C<3>}	H(OC[5])	109.4880	0.032	3	109.4880	0.001	3	108.9984	2.241	10	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,5|C<3>}	H(OC[5])	109.4603	0.043	3	109.4603	0.002	3	108.9984	2.241	10	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:O-2:H-1:	O-2:	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H)	H(OC[5])	O(C[5]C[5,6a]C[5,6]H)(H)	C[5](C[5,6]C[6,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(OC[5])	109.4350	0.000	1	109.4350	0.000	1	108.9984	2.241	10	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,6,6]C[5,6]C)(C[5]C[5]H)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	H(OC[5])	105.6460	0.000	1	105.6460	0.000	1	108.4702	8.463	20	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5]H)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	H(OC[5])	103.6310	0.000	1	103.6310	0.000	1	108.4702	8.463	20	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[3x5,6]O)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[3x5,6]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(OC[5])	107.7700	0.000	1	107.7700	0.000	1	108.4702	8.463	20	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(OH)(H){2|H<1>,4|C<4>}	H(OC[5])	109.4600	0.000	1	109.4600	0.000	1	108.4702	8.463	20	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5,6]C)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	H(OC[5])	107.7070	0.448	2	107.7070	0.201	2	108.4702	8.463	20	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]2C)(C[5]N[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]2C)(C[5]N[5]O)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(OC[5])	109.4620	0.000	1	109.4620	0.000	1	108.4702	8.463	20	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(OH)(H){1|C<3>,4|C<4>}	H(OC[5])	109.4960	0.000	1	109.4960	0.000	1	108.4702	8.463	20	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(OH)(H){5|C<4>}	H(OC[5])	106.4470	0.281	2	106.4470	0.079	2	108.4702	8.463	20	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	H(OC[5])	109.4780	0.000	1	109.4780	0.000	1	108.4702	8.463	20	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(OH)(H){2|C<4>,5|H<1>}	H(OC[5])	107.8605	3.204	4	107.8605	10.268	4	108.4702	8.463	20	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[5])	109.4580	0.000	1	109.4580	0.000	1	108.4702	8.463	20	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]O)(OH)(H){2|C<4>,5|H<1>}	H(OC[5])	109.3490	1.737	2	109.3490	3.016	2	108.4702	8.463	20	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(OH)(H){1|H<1>,3|C<4>}	H(OC[5])	109.3280	0.000	1	109.3280	0.000	1	108.4702	8.463	20	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]C)(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(OC[5])	117.2270	0.000	1	117.2270	0.000	1	108.4702	8.463	20	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]N[5]H)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6]N[5]H)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(OH)(H){1|C<3>,2|C<4>,2|O<1>}	H(OC[5])	109.4370	0.000	1	109.4370	0.000	1	109.4760	0.001	5	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]N[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6]N[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(OH)(H){1|O<1>,2|C<3>,2|C<4>}	H(OC[5])	109.5075	0.032	2	109.5075	0.001	2	109.4760	0.001	5	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]N[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5,6]N[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(OC[5])	109.4570	0.000	1	109.4570	0.000	1	109.4760	0.001	5	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5,6]N[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[6a]C[5])(OH)(H)	H(OC[5])	O(C[5]C[5,6]N[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(OC[5])	109.4710	0.000	1	109.4710	0.000	1	109.4760	0.001	5	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(OC[5])	109.5110	0.000	1	109.5110	0.000	1	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(OH)(H){1|H<1>,2|C<4>}	H(OC[5])	109.4450	0.000	1	109.4450	0.000	1	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(OH)(H){1|C<3>,1|N<3>}	H(OC[5])	109.4720	0.000	1	109.4720	0.000	1	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(OC[5])	110.3405	0.129	2	110.3405	0.017	2	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){1|C<3>,1|C<4>}	H(OC[5])	109.5170	0.000	1	114.7711	77.882	8	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){2|C<3>}	H(OC[5])	109.4810	0.000	1	114.7711	77.882	8	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(OH)(H){2|C<4>}	H(OC[5])	116.5285	9.706	6	114.7711	77.882	8	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(OH)(H){2|C<4>}	H(OC[5])	109.4225	0.009	2	109.4225	0.000	2	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]O)(OH)(H){1|C<4>,2|H<1>}	H(OC[5])	109.5100	0.000	1	109.5100	0.000	1	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(OH)(H){2|H<1>}	H(OC[5])	109.3090	0.000	1	109.3090	0.000	1	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H){1|H<1>,2|C<4>}	H(OC[5])	108.0680	0.000	1	108.7705	0.987	2	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(OH)(H){3|H<1>}	H(OC[5])	109.4730	0.000	1	108.7705	0.987	2	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]N)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]N)(OH)(H){1|H<1>,1|O<1>}	H(OC[5])	106.8660	0.000	1	106.8660	0.000	1	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	112.4417	4.299	4	111.8696	15.499	5	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(OH)(H){1|C<3>,2|H<1>}	H(OC[5])	109.5810	0.000	1	111.8696	15.499	5	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	111.4965	1.111	2	111.4965	1.234	2	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H){1|C<4>,2|H<1>}	H(OC[5])	109.4730	0.000	1	109.4657	0.000	3	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(OH)(H){1|H<1>,1|O<1>}	H(OC[5])	109.4620	0.007	2	109.4657	0.000	3	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	108.4935	3.996	4	108.4935	15.971	4	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	107.4530	2.867	2	108.4548	4.077	4	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){1|H<1>,2|C<3>}	H(OC[5])	109.4470	0.000	1	108.4548	4.077	4	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)(H){3|C<4>}	H(OC[5])	109.4660	0.000	1	108.4548	4.077	4	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H){1|C<4>,2|H<1>}	H(OC[5])	109.4390	0.000	1	109.3335	0.022	2	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(OH)(H){1|N<3>,2|H<1>}	H(OC[5])	109.2280	0.000	1	109.3335	0.022	2	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H){1|C<3>,1|C<4>}	H(OC[5])	109.4510	0.000	1	107.2560	9.636	2	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(OH)(H){2|C<4>,2|H<1>}	H(OC[5])	105.0610	0.000	1	107.2560	9.636	2	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H){1|C<3>,2|C<4>}	H(OC[5])	98.2869	0.000	1	103.8535	61.973	2	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(OH)(H){1|C<4>,2|H<1>}	H(OC[5])	109.4200	0.000	1	103.8535	61.973	2	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	109.4730	0.000	1	109.4730	0.000	1	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]C)(OH)(H){1|H<1>,1|O<1>}	H(OC[5])	107.0140	0.000	1	107.0140	0.000	1	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[5])	109.4950	0.000	1	109.4950	0.000	1	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(OH)(H){1|C<3>,1|H<1>}	H(OC[5])	110.7860	0.000	1	110.7860	0.000	1	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	107.3748	2.398	4	107.3748	5.749	4	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(OH)(H){2|C<3>,2|H<1>}	H(OC[5])	102.8040	1.592	2	102.8040	2.536	2	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(OH)(H){1|N<3>,2|C<3>,2|H<1>}	H(OC[5])	109.4165	0.013	2	109.4165	0.000	2	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H){1|C<4>,3|C<3>}	H(OC[5])	109.4520	0.000	1	108.7625	1.272	8	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(OC[5])	108.6640	1.180	7	108.7625	1.272	8	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[5,6]HH)(C[5]N[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[5,6]HH)(C[5]N[5]O)(OH)(H){2|C<4>}	H(OC[5])	109.4990	0.000	1	109.4990	0.000	1	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]O)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]O)(OH)(H){1|C<3>,1|H<1>}	H(OC[5])	109.4990	0.000	1	109.4990	0.000	1	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(OH)(H){1|O<1>}	H(OC[5])	109.0090	0.000	1	109.0090	0.000	1	109.5161	18.790	67	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(OH)(H){2|C<3>,2|H<1>}	H(OC[5])	109.4460	0.000	1	109.4460	0.000	1	109.9427	7.008	15	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(OC[5])	119.1590	0.000	1	119.1590	0.000	1	109.9427	7.008	15	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5,5]HH)(N[5]N[5,5]C)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5,5]HH)(N[5]N[5,5]C)(OH)(H){1|C<4>,2|C<3>}	H(OC[5])	109.5150	0.000	1	109.5150	0.000	1	109.9427	7.008	15	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H){2|C<3>}	H(OC[5])	109.4910	0.041	2	109.4910	0.002	2	109.9427	7.008	15	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]Br2)(N[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]Br2)(N[5]C[5]C)(OH)(H){4|H<1>}	H(OC[5])	106.7200	0.000	1	106.7200	0.000	1	109.9427	7.008	15	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H){2|C<3>,2|H<1>}	H(OC[5])	109.4490	0.123	2	109.4490	0.015	2	109.9427	7.008	15	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(OH)(H){1|O<1>,2|H<1>}	H(OC[5])	109.4670	0.000	1	109.4670	0.000	1	109.9427	7.008	15	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](C[5]N[5,6a]HO)(N[5]C[5,6a]H)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]N[5,6a]HO)(N[5]C[5,6a]H)(OH)(H){1|C<3>,1|N<2>}	H(OC[5])	109.4970	0.000	1	109.4970	0.000	1	109.9427	7.008	15	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H){1|C<3>,1|H<1>}	H(OC[5])	109.5005	0.025	4	109.4914	0.001	5	109.9427	7.008	15	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:1:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	O-2:	O(C[5]C[5]N[5]H)(H)	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5]N[5]H)(H)	C[5](C[5]N[5]HO)(N[5]C[5]H)(OH)(H){1|H<1>,1|S<1>}	H(OC[5])	109.4550	0.000	1	109.4914	0.001	5	109.9427	7.008	15	108.9996	10.699	182	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:2:	2:	C[5]-4:H-1:	C[3,5]-4:C[6a]-3:O[5]-2:O-2:	O-2:	O(C[5]C[3,5]C[6a]O[5])(H)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[3,5]C[6a]O[5])(H)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(OC[5])	105.3410	0.000	1	105.3410	0.000	1	105.3410	0.000	1	109.1708	1.256	18	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:2:	2:	C[5]-4:H-1:	C[3]-4:C[5]-3:O[5]-2:O-2:	O-2:	O(C[5]C[3]C[5]O[5])(H)	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH)	H(OC[5])	O(C[5]C[3]C[5]O[5])(H)	C[5](C[3]C[3,5]2H)(C[5]C[5,5]O)(O[5]C[5,5])(OH){2|H<1>,6|C<4>}	H(OC[5])	109.4945	0.039	4	109.4945	0.001	4	109.4901	0.001	7	109.1708	1.256	18	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:2:	2:	C[5]-4:H-1:	C[3]-4:C[5]-3:O[5]-2:O-2:	O-2:	O(C[5]C[3]C[5]O[5])(H)	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[3]C[5]O[5])(H)	C[5](C[3]C[3]2H)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,6|C<4>}	H(OC[5])	109.4843	0.035	3	109.4843	0.001	3	109.4901	0.001	7	109.1708	1.256	18	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:2:	2:	C[5]-4:H-1:	C[4,5]-4:C[6a]-3:S[5]-2:O-2:	O-2:	O(C[5]C[4,5]C[6a]S[5])(H)	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH)	H(OC[5])	O(C[5]C[4,5]C[6a]S[5])(H)	C[5](C[4,5]C[4,5]C[4]C)(C[6a]C[6a]2)(S[5]C[5])(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(OC[5])	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	109.1708	1.256	18	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-2:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CC)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]C)(CC)(OH){1|C<3>,3|C<4>,5|H<1>}	H(OC[5])	110.1900	0.000	1	110.1900	0.000	1	110.1900	0.000	1	109.1708	1.256	18	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:2:	2:	C[5]-4:H-1:	C[5,6,6]-4:C[6a]-3:O[5]-2:O-2:	O-2:	O(C[5]C[5,6,6]C[6a]O[5])(H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH)	H(OC[5])	O(C[5]C[5,6,6]C[6a]O[5])(H)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH){2|C<3>,4|H<1>,5|C<4>}	H(OC[5])	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	109.1708	1.256	18	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-2:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC)(OH){2|C<4>,5|H<1>}	H(OC[5])	109.4915	0.852	2	109.4915	0.726	2	109.4915	0.726	2	109.1708	1.256	18	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[6a]-3:O[5]-2:O-2:	O-2:	O(C[5]C[5,6]C[6a]O[5])(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[5,6]C[6a]O[5])(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH){3|H<1>,7|C<3>}	H(OC[5])	109.1720	0.000	1	109.1720	0.000	1	109.1720	0.000	1	109.1708	1.256	18	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-2:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC)(OH){2|H<1>}	H(OC[5])	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	109.1708	1.256	18	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:2:	2:	C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:O-2:	O-2:	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[6a]C[5]O[5])(H)	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH){2|C<3>,6|H<1>}	H(OC[5])	109.4750	0.023	2	109.4750	0.001	2	109.4750	0.001	2	109.1708	1.256	18	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:2:2:	2:	C[5]-4:H-1:	C[6]-4:C[5]-3:O[5]-2:O-2:	O-2:	O(C[5]C[5]C[6]O[5])(H)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(OH)	H(OC[5])	O(C[5]C[5]C[6]O[5])(H)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)(O[5]C[5,6a])(OH){2|C<4>,5|C<3>}	H(OC[5])	109.7680	0.000	1	109.7680	0.000	1	109.7680	0.000	1	109.1708	1.256	18	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[3,5]-4:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[3,5]C[6a]C[5])(H)	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	H(OC[5])	O(C[5]C[3,5]C[6a]C[5])(H)	C[5](C[3,5]C[4,5]C[3]2)(C[6a]C[6a]2)(C[5]O[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(OC[5])	106.2710	0.000	1	106.2710	0.000	1	106.2710	0.000	1	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5,6]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,5]C[5,6]C[6a])(H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,5]C[5,6]C[6a])(H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(OH){2|C<3>,4|C<4>,5|H<1>}	H(OC[5])	109.5200	0.033	2	109.5200	0.001	2	109.5200	0.001	2	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5,5]C[6a])(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5,5]C[6a])(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	H(OC[5])	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]N[5,5]O)(CC[6]O)(OH){1|C<3>,1|O<2>,2|C<4>}	H(OC[5])	110.8783	0.135	3	110.8783	0.018	3	110.1595	0.627	6	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(COO)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(COO)(OH){1|C<4>,1|O<2>,3|H<1>}	H(OC[5])	109.4340	0.000	1	109.4340	0.000	1	110.1595	0.627	6	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(COO)(OH){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	H(OC[5])	109.4440	0.007	2	109.4440	0.000	2	110.1595	0.627	6	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(OH){4|C<3>,5|H<1>}	H(OC[5])	109.4915	0.018	2	109.4915	0.000	2	109.4915	0.000	2	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]O)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,4|H<1>}	H(OC[5])	109.4740	0.000	1	109.4740	0.000	1	108.8895	5.815	4	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(OC[5])	108.6947	2.915	3	108.6947	8.495	3	108.8895	5.815	4	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH)	H(OC[5])	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(C[5]O[5]O)(OH){2|C<3>,2|C<4>,3|H<1>}	H(OC[5])	110.7900	1.894	2	110.7900	3.586	2	109.9742	2.131	4	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]O)(OH){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(OC[5])	108.8890	0.000	1	108.8890	0.000	1	109.9742	2.131	4	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5,6]C[6a]C[5])(H)	C[5](C[5,6]C[5]S[6]2)(C[6a]C[6a]2)(C[5]C[5]C)(OH){2|C<4>,3|C<3>,3|H<1>}	H(OC[5])	109.4280	0.000	1	109.4280	0.000	1	109.9742	2.131	4	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-3:O-2:	O-2:	O(C[5]C[5,6]N[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[5a]O)(OH)	H(OC[5])	O(C[5]C[5,6]N[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[5a]O)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(OC[5])	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)(COO)(OH){1|S<2>,3|C<3>}	H(OC[5])	111.8680	0.000	1	111.8680	0.000	1	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(COO)(OH){1|H<1>,3|C<4>}	H(OC[5])	109.4880	0.006	2	109.4880	0.000	2	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(COO)(OH){2|C<3>}	H(OC[5])	109.4270	0.000	1	109.4270	0.000	1	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)(OH){2|C<3>}	H(OC[5])	109.4630	0.000	1	109.4630	0.000	1	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]OO)(C[5]C[5,6a]O)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]OO)(C[5]C[5,6a]O)(COO)(OH){2|C<3>}	H(OC[5])	109.2200	0.000	1	109.2200	0.000	1	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO)(OH){1|C<3>,1|O<1>}	H(OC[5])	109.4570	0.000	1	109.4570	0.000	1	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCO)(OH){1|C<4>,1|O<1>}	H(OC[5])	109.4580	0.000	1	109.4580	0.000	1	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH){1|C<3>,3|H<1>}	H(OC[5])	109.5300	0.000	1	109.1325	0.316	2	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(COO)(OH){4|H<1>}	H(OC[5])	108.7350	0.000	1	109.1325	0.316	2	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)(OH){1|C<4>,1|H<1>}	H(OC[5])	107.5580	0.000	1	107.5580	0.000	1	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(COO)(OH){1|C<4>,1|H<1>}	H(OC[5])	109.4970	0.000	1	109.4970	0.000	1	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(COO)(OH){2|H<1>}	H(OC[5])	109.4580	0.026	3	109.4580	0.001	3	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(COO)(OH){1|C<4>,1|H<1>,1|O<2>}	H(OC[5])	109.4950	0.000	1	109.4950	0.000	1	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(OH){1|C<4>,1|O<1>}	H(OC[5])	107.2930	0.000	1	107.2930	0.000	1	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)(OH){1|C<3>,1|H<1>}	H(OC[5])	112.5090	0.000	1	112.5090	0.000	1	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HN)(C[5]C[5]H)(COO)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	107.3720	0.000	1	107.3720	0.000	1	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]O)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]O)(OH){1|C<4>,2|H<1>}	H(OC[5])	109.4930	0.024	2	109.4930	0.001	2	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]O[5]CO)(C[5]C[5]C)(CCO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]O[5]CO)(C[5]C[5]C)(CCO)(OH){1|C<4>}	H(OC[5])	109.4710	0.000	1	109.4710	0.000	1	109.3950	1.346	22	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]3)(H)	C[5](C[5]C[5,5]C[5]C)(C[5]C[5,6a]O)2(OH)	H(OC[5])	O(C[5]C[5]3)(H)	C[5](C[5]C[5,5]C[5]C)(C[5]C[5,6a]O)2(OH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(OC[5])	109.5085	0.006	2	109.5085	0.000	2	109.4948	0.000	4	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2(OH)	H(OC[5])	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2(OH){1|N<3>,1|O<1>,4|C<3>}	H(OC[5])	109.4920	0.000	1	109.4920	0.000	1	109.4948	0.000	4	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]3)(H)	C[5](C[5]C[5]S[5]H)(C[5]C[5,6a]O)2(OH)	H(OC[5])	O(C[5]C[5]3)(H)	C[5](C[5]C[5]S[5]H)(C[5]C[5,6a]O)2(OH){1|N<2>,1|O<1>,3|C<3>}	H(OC[5])	109.4700	0.000	1	109.4700	0.000	1	109.4948	0.000	4	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]N)(C[6a]C[6a]2)(OH){1|N<3>,2|H<1>,3|C<3>}	H(OC[5])	109.4750	0.000	1	109.4750	0.000	1	109.6287	0.076	4	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)(OH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(OC[5])	109.4995	0.008	2	109.4995	0.000	2	109.6287	0.076	4	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,7|C<3>}	H(OC[5])	110.0410	0.000	1	110.0410	0.000	1	109.6287	0.076	4	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)(OH){2|H<1>,6|C<3>}	H(OC[5])	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[5,5]FF)(C[6a]C[6a]2)(N[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[5,5]FF)(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(OC[5])	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(OH){4|C<3>}	H(OC[5])	109.2150	0.000	1	109.2150	0.000	1	109.4128	0.018	4	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]O)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]O)(OH){1|C<4>,1|O<1>,1|O<2>}	H(OC[5])	109.4915	0.015	2	109.4915	0.000	2	109.4128	0.018	4	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]O)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]O)(OH){1|C<3>,2|C<4>}	H(OC[5])	109.4530	0.000	1	109.4530	0.000	1	109.4128	0.018	4	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	H(OC[5])	109.4240	0.000	1	109.4240	0.000	1	106.6767	23.000	3	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,3|H<1>,7|C<3>}	H(OC[5])	109.4670	0.000	1	109.4670	0.000	1	106.6767	23.000	3	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:3:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:O-2:	O-2:	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]N[5])(H)	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,6|C<3>}	H(OC[5])	101.1390	0.000	1	101.1390	0.000	1	106.6767	23.000	3	109.3087	2.370	60	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[3,5]-4:C[5,6]-3:C-4:O-2:	O-2:	O(C[5]C[3,5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	H(OC[5])	O(C[5]C[3,5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[5])	109.5290	0.000	1	109.4915	0.003	2	109.4915	0.003	2	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[3,5]-4:C[5,6]-3:C-4:O-2:	O-2:	O(C[5]C[3,5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	H(OC[5])	O(C[5]C[3,5]C[5,6]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){3|C<4>,4|H<1>}	H(OC[5])	109.4540	0.000	1	109.4915	0.003	2	109.4915	0.003	2	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[3,5]C[6a]C[5])(H)	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH)	H(OC[5])	O(C[5]C[3,5]C[6a]C[5])(H)	C[5](C[3,5]C[3]C[5]O[3])(C[6a]C[6a]2)(C[5]O[5]HH)(OH){1|C<4>,3|C<3>,4|H<1>}	H(OC[5])	109.5920	0.000	1	109.5920	0.000	1	109.5920	0.000	1	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[4,5]-4:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[4,5]N[5]C)(H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(CF3)(OH)	H(OC[5])	O(C[5]C[4,5]N[5]C)(H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(CF3)(OH){1|C<4>,1|O<1>,3|H<1>}	H(OC[5])	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH){1|O<2>,3|C<4>}	H(OC[5])	109.4600	0.000	1	109.4600	0.000	1	109.4735	0.000	2	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CC[3]HH)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CC[3]HH)(OH){2|C<3>,3|H<1>}	H(OC[5])	109.4870	0.000	1	109.4870	0.000	1	109.4735	0.000	2	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	H(OC[5])	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|N<2>,4|H<1>,5|C<3>}	H(OC[5])	109.4740	0.000	1	109.4740	0.000	1	108.6440	2.027	3	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH)	H(OC[5])	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(OC[5])	109.4580	0.000	1	109.4580	0.000	1	108.6440	2.027	3	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<3>,3|C<3>,6|H<1>}	H(OC[5])	107.0000	0.000	1	107.0000	0.000	1	108.6440	2.027	3	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,5]N[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CF3)(OH)	H(OC[5])	O(C[5]C[5,5]N[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CF3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[5])	110.9937	2.015	3	110.9937	4.062	3	110.6128	3.289	4	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,5]N[5]C)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,5]N[5]C)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCHH)(OH){1|O<1>,1|O<2>,2|C<3>}	H(OC[5])	109.4700	0.000	1	109.4700	0.000	1	110.6128	3.289	4	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,6,6]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6,6]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6,6]C[5]C)(H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(OC[5])	112.4580	0.000	1	112.4580	0.000	1	112.4580	0.000	1	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,6,6]-4:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6,6]N[5]C)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6,6]N[5]C)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(OC[5])	109.4655	0.005	2	109.4655	0.000	2	109.4655	0.000	2	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH){3|C<4>,3|H<1>}	H(OC[5])	100.4910	0.000	1	100.4910	0.000	1	108.5445	8.802	11	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(CH3)(OH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(OC[5])	108.2510	2.094	2	108.2510	4.387	2	108.5445	8.802	11	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(OH){1|O<1>,2|C<4>,3|H<1>}	H(OC[5])	109.4910	0.000	1	109.4910	0.000	1	108.5445	8.802	11	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)(OH){2|C<4>,5|H<1>}	H(OC[5])	109.4370	0.000	1	109.4370	0.000	1	108.5445	8.802	11	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(OC[5])	111.5350	0.000	1	111.5350	0.000	1	108.5445	8.802	11	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(OH){2|C<4>,3|H<1>}	H(OC[5])	109.4590	0.000	1	109.4590	0.000	1	108.5445	8.802	11	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CClHH)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CClHH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	109.4940	0.000	1	109.4940	0.000	1	108.5445	8.802	11	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OH){2|C<4>,3|H<1>}	H(OC[5])	109.4770	0.000	1	109.4770	0.000	1	108.5445	8.802	11	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(OH){1|H<1>,2|C<4>}	H(OC[5])	107.4950	0.000	1	107.4950	0.000	1	108.5445	8.802	11	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(OC[5])	110.6080	0.000	1	110.6080	0.000	1	108.5445	8.802	11	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH){1|H<1>,2|C<3>,2|C<4>}	H(OC[5])	109.4690	0.000	1	109.4690	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(OH){2|C<4>}	H(OC[5])	109.4840	0.000	1	109.4840	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|O<2>}	H(OC[5])	109.4885	0.039	2	109.4885	0.002	2	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CH3)(OH){4|C<4>}	H(OC[5])	109.4070	0.116	2	109.4070	0.013	2	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(OC[5])	104.6110	0.368	2	104.6110	0.135	2	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH){1|H<1>,2|C<4>}	H(OC[5])	109.4140	0.000	1	109.4140	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH){2|C<3>}	H(OC[5])	109.4490	0.000	1	109.4490	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH){2|C<3>}	H(OC[5])	109.5205	0.046	2	109.5205	0.002	2	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH){2|C<3>}	H(OC[5])	109.4170	0.000	1	109.4170	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(OH){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[5])	109.4440	0.000	1	109.4440	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>}	H(OC[5])	109.4850	0.029	3	108.7092	2.408	4	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH){3|H<1>}	H(OC[5])	106.3820	0.000	1	108.7092	2.408	4	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(OH){4|H<1>}	H(OC[5])	109.4970	0.000	1	109.4970	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(OH){2|C<4>,2|H<1>}	H(OC[5])	109.4740	0.044	2	109.4740	0.002	2	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>}	H(OC[5])	112.5005	0.146	2	109.5640	9.700	6	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,3|H<1>}	H(OC[5])	109.4683	0.045	3	109.5640	9.700	6	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|H<1>,3|C<4>}	H(OC[5])	103.9780	0.000	1	109.5640	9.700	6	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH){1|C<4>,1|H<1>}	H(OC[5])	109.4987	0.036	3	109.4873	0.001	4	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH){2|C<4>}	H(OC[5])	109.4530	0.000	1	109.4873	0.001	4	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(OH){2|C<4>}	H(OC[5])	109.5170	0.000	1	109.5170	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH){1|C<4>,1|H<1>}	H(OC[5])	107.5803	2.486	3	107.5803	6.180	3	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|H<1>}	H(OC[5])	112.8200	0.000	1	112.8200	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH){1|H<1>,1|O<2>,3|C<4>}	H(OC[5])	109.4640	0.000	1	109.4640	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(OC[5])	101.0410	0.000	1	101.0410	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(OH){3|H<1>}	H(OC[5])	109.4880	0.000	1	109.4880	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(OH){1|C<2>,1|C<3>,1|C<4>}	H(OC[5])	109.4690	0.000	1	109.4690	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH){1|O<2>,2|C<4>}	H(OC[5])	107.4040	1.896	4	107.4040	3.595	4	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH){1|C<4>,3|H<1>}	H(OC[5])	109.4506	0.079	5	109.4506	0.006	5	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(OH){1|C<4>,1|O<1>}	H(OC[5])	109.4830	0.000	2	109.4830	0.000	2	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[5])	103.7690	0.000	1	103.7690	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(OH){1|H<1>,2|C<3>}	H(OC[5])	109.4910	0.000	1	109.4910	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH){1|C<4>,1|O<1>}	H(OC[5])	109.1880	0.403	2	109.1880	0.162	2	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[5])	109.4175	0.063	2	109.4175	0.004	2	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	109.2652	2.107	10	109.2652	4.440	10	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>}	H(OC[5])	109.4900	0.000	1	109.4900	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH){2|H<1>}	H(OC[5])	109.4575	0.045	2	109.4575	0.002	2	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|H<1>}	H(OC[5])	110.1987	4.135	3	110.1987	17.095	3	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(OC[5])	109.4600	0.000	1	108.8755	0.683	2	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|H<1>,2|C<4>,3|C<3>}	H(OC[5])	108.2910	0.000	1	108.8755	0.683	2	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH){1|C<4>,1|O<1>,2|C<3>}	H(OC[5])	109.4880	0.000	1	109.4880	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>}	H(OC[5])	109.4560	0.000	1	109.4560	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]HH)(OH){2|H<1>}	H(OC[5])	109.4960	0.000	1	109.4960	0.000	1	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]O[5]HH)(C[5]N[5]O)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]O[5]HH)(C[5]N[5]O)(CC[6a]HH)(OH){1|H<1>}	H(OC[5])	110.8745	2.040	2	110.8745	4.162	2	109.0223	4.319	80	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-3:Si-4:O-2:	O-2:	O(C[5]C[5]2Si)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH)	H(OC[5])	O(C[5]C[5]2Si)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH){2|C<3>,3|H<1>}	H(OC[5])	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]HH)(OH){4|C<3>,4|H<1>}	H(OC[5])	109.4625	0.018	2	109.4625	0.000	2	108.3082	5.387	16	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)(OH){1|S<4>,4|C<3>,4|H<1>}	H(OC[5])	109.4890	0.003	2	109.4890	0.000	2	108.3082	5.387	16	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){5|C<3>,5|H<1>}	H(OC[5])	107.4357	3.084	8	107.4357	9.510	8	108.3082	5.387	16	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,2|H<1>,5|C<3>}	H(OC[5])	109.4310	0.000	1	109.4565	0.001	2	108.3082	5.387	16	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|O<1>,3|H<1>,4|C<3>}	H(OC[5])	109.4820	0.000	1	109.4565	0.001	2	108.3082	5.387	16	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)(OH){1|O<1>,2|H<1>,4|C<3>}	H(OC[5])	108.3145	0.241	2	108.3145	0.058	2	108.3082	5.387	16	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,5]HO)(N[5]C[5]H)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5,5]HO)(N[5]C[5]H)(CC[6a]HH)(OH){1|C<3>,1|O<1>,1|O<2>}	H(OC[5])	109.6530	0.000	1	109.6530	0.000	1	108.8911	4.082	17	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CF3)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CF3)(OH){1|C<4>}	H(OC[5])	107.0570	3.157	2	107.0570	9.964	2	108.8911	4.082	17	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(OH){1|C<4>}	H(OC[5])	109.4715	0.008	2	109.4715	0.000	2	108.8911	4.082	17	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(OH){1|C<3>}	H(OC[5])	107.3580	0.000	1	107.3580	0.000	1	108.8911	4.082	17	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(OH){1|H<1>,1|O<1>,1|O<2>}	H(OC[5])	108.9160	0.000	1	108.9160	0.000	1	108.8911	4.082	17	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CC[6a]HH)(OH){1|C<4>,3|C<3>}	H(OC[5])	109.5050	0.000	1	109.5050	0.000	1	108.8911	4.082	17	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH){1|O<1>}	H(OC[5])	109.1843	2.342	9	109.1843	5.483	9	108.8911	4.082	17	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:3:4:2:	2:	C[5]-4:H-1:	P[5]-4:C[5]-3:C-4:O-2:	O-2:	O(C[5]C[5]P[5]C)(H)	C[5](P[5]C[5]OO)(C[5]O[5]O)(CH3)(OH)	H(OC[5])	O(C[5]C[5]P[5]C)(H)	C[5](P[5]C[5]OO)(C[5]O[5]O)(CH3)(OH){1|C<3>,1|C<4>}	H(OC[5])	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	108.9828	4.429	142	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[3,5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[3,5,6]C[5]H)(H)	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[3,5,6]C[5]H)(H)	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	H(OC[5])	109.4420	0.000	1	109.4420	0.000	1	109.4835	0.001	4	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[3,5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[3,5,6]C[5]H)(H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[3,5,6]C[5]H)(H)	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(OC[5])	109.4920	0.000	1	109.4920	0.000	1	109.4835	0.001	4	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[3,5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[3,5,6]C[5]H)(H)	C[5](C[3,5,6]C[3,6]2C[5,6])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[3,5,6]C[5]H)(H)	C[5](C[3,5,6]C[3,6]2C[5,6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(OC[5])	109.5000	0.017	2	109.5000	0.000	2	109.4835	0.001	4	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[3,5]-4:C[5,5]-4:O-2:H-1:	O-2:	O(C[5]C[3,5]C[5,5]H)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5,5]C[5,5]O[5]H)(OH)(H)	H(OC[5])	O(C[5]C[3,5]C[5,5]H)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5,5]C[5,5]O[5]H)(OH)(H){1|C<4>,1|O<2>,4|H<1>}	H(OC[5])	106.6650	0.000	1	106.6650	0.000	1	106.6650	0.000	1	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H)	H(OC[5])	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[5])	107.5050	3.306	2	107.5050	10.932	2	108.9997	8.353	12	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(OH)(H)	H(OC[5])	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5,6]O[3]H)(C[5]C[5,6]C[5a]H)(OH)(H){2|C<3>,3|C<4>}	H(OC[5])	110.4410	0.000	1	110.4410	0.000	1	108.9997	8.353	12	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(OH)(H){1|N<3>,4|H<1>}	H(OC[5])	113.2110	0.000	1	113.2110	0.000	1	108.9997	8.353	12	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(OH)(H)	H(OC[5])	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6a]O[5]H)(OH)(H){1|C<4>,2|C<3>,2|F<1>}	H(OC[5])	111.2650	0.000	1	111.2650	0.000	1	108.9997	8.353	12	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(OH)(H){1|H<1>,2|C<4>}	H(OC[5])	109.4395	0.019	2	109.4395	0.000	2	108.9997	8.353	12	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HH)(OH)(H){1|N<3>,2|F<1>,3|H<1>}	H(OC[5])	109.3895	0.005	2	109.3895	0.000	2	108.9997	8.353	12	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[3]2O[5])(C[5]C[5]HO)(OH)(H){1|N<3>,2|F<1>,3|H<1>}	H(OC[5])	102.3640	0.000	1	102.3640	0.000	1	108.9997	8.353	12	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C[6a]H)(OH)(H)	H(OC[5])	O(C[5]C[3,5]C[5]H)(H)	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C[6a]H)(OH)(H){4|C<3>,4|H<1>}	H(OC[5])	109.0235	2.610	2	109.0235	6.812	2	108.9997	8.353	12	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H)	H(OC[5])	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(OC[5])	109.5250	0.000	1	109.4852	0.004	5	109.2270	0.614	9	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H)	H(OC[5])	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]C[6a]O[5]H)(OH)(H){1|H<1>,4|C<3>}	H(OC[5])	109.4753	0.065	4	109.4852	0.004	5	109.2270	0.614	9	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H){1|C<3>,2|C<4>}	H(OC[5])	109.4820	0.000	1	108.3115	2.740	2	109.2270	0.614	9	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]N[4]H)(C[5]O[5]HH)(OH)(H){1|O<2>,2|C<3>}	H(OC[5])	107.1410	0.000	1	108.3115	2.740	2	109.2270	0.614	9	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]O[4]H)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4,5]O[4]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|N<3>}	H(OC[5])	109.5160	0.000	1	109.5160	0.000	1	109.2270	0.614	9	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[4,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[4,5]C[5]H)(H)	C[5](C[4,5]C[4]2O[5])(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,5|H<1>}	H(OC[5])	109.4780	0.000	1	109.4780	0.000	1	109.2270	0.614	9	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,3x6]-4:C[5,5]-4:O-2:H-1:	O-2:	O(C[5]C[5,3x6]C[5,5]H)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]2)(OH)(H)	H(OC[5])	O(C[5]C[5,3x6]C[5,5]H)(H)	C[5](C[5,3x6]N[5,6,6]C[6,6]S[6,6])(C[5,5]C[5,6a]C[5,5]2)(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<4>,2|N<3>,4|C<3>}	H(OC[5])	112.0270	5.067	2	112.0270	25.676	2	112.0270	25.676	2	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5,6]H)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5,6]H)(H)	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	H(OC[5])	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	H(OC[5])	109.4350	0.049	2	109.4350	0.002	2	108.1939	4.695	15	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]H)(C[5]C[5,5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	H(OC[5])	107.2498	0.886	4	107.2498	0.784	4	108.1939	4.695	15	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CH)(OH)(H){1|O<2>,6|C<4>}	H(OC[5])	101.4770	0.000	1	101.4770	0.000	1	108.1939	4.695	15	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5]C[5,5,6]CO)(OH)(H){1|O<2>,6|C<4>}	H(OC[5])	107.4630	0.000	1	107.4630	0.000	1	108.1939	4.695	15	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]CH)(OH)(H){1|O<2>,3|C<4>,6|H<1>}	H(OC[5])	109.4925	0.011	2	109.4925	0.000	2	108.1939	4.695	15	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|O<2>,5|H<1>}	H(OC[5])	109.5290	0.000	1	109.5290	0.000	1	108.1939	4.695	15	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(OC[5])	109.2870	0.291	2	109.2870	0.085	2	108.1939	4.695	15	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	H(OC[5])	109.5110	0.000	1	109.5110	0.000	1	108.1939	4.695	15	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5,6]C[5]H)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,6,6]HH)(OH)(H){1|C<3>,6|C<4>}	H(OC[5])	109.5000	0.000	1	109.5000	0.000	1	108.1939	4.695	15	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]2H)(H)	C[5](C[5,5]C[5,5]C[5]H)2(OH)(H)	H(OC[5])	O(C[5]C[5,5]2H)(H)	C[5](C[5,5]C[5,5]C[5]H)2(OH)(H){1|O<2>,4|C<4>,4|H<1>}	H(OC[5])	105.8970	0.000	1	105.8970	0.000	1	105.8970	0.000	1	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,5]C[3x5,6]C[5]C)(C[5,6]O[5,6]C[6]C)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,5]C[3x5,6]C[5]C)(C[5,6]O[5,6]C[6]C)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	H(OC[5])	109.4285	0.071	2	109.4285	0.005	2	109.4485	0.003	4	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5,6]C[5,6]O[6]H)(OH)(H){2|H<1>,2|O<2>,3|C<4>}	H(OC[5])	109.4310	0.000	1	109.4310	0.000	1	109.4485	0.003	4	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,5]C[5,6]O[5]2)(C[5,6]C[5,6]C[6]H)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,5]C[5,6]O[5]2)(C[5,6]C[5,6]C[6]H)(OH)(H){1|H<1>,1|O<2>,7|C<4>}	H(OC[5])	109.5060	0.000	1	109.5060	0.000	1	109.4485	0.003	4	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(OC[5])	107.3230	0.000	1	107.3230	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(OC[5])	109.4795	0.006	2	109.4795	0.000	2	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(OC[5])	113.0490	0.000	1	113.0490	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(OC[5])	109.4620	0.000	1	109.4620	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[3x5]O[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	H(OC[5])	109.4520	0.000	1	109.4520	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[4x5]O[5]H)(C[5]C[3x5]CH)(OH)(H){1|C<3>,4|C<4>}	H(OC[5])	109.4270	0.000	1	109.4270	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[5])	109.7810	0.000	1	109.7810	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(OC[5])	101.8360	0.000	1	101.8360	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[5])	103.8560	0.000	1	108.7500	20.984	3	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	H(OC[5])	109.4590	0.000	1	108.7500	20.984	3	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(OH)(H){2|H<1>,5|C<4>}	H(OC[5])	112.9350	0.000	1	108.7500	20.984	3	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(OC[5])	109.7130	0.361	2	109.6333	0.084	3	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)(OH)(H){1|Si<4>,2|C<4>,2|H<1>}	H(OC[5])	109.4740	0.000	1	109.6333	0.084	3	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){2|C<3>,4|H<1>}	H(OC[5])	109.4600	0.000	1	109.4600	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(OC[5])	109.5050	0.000	1	109.5050	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(OC[5])	109.4420	0.000	1	109.4420	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5a]O[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5a]O[5]H)(OH)(H){3|H<1>,4|C<3>}	H(OC[5])	128.5190	0.000	1	128.5190	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	H(OC[5])	109.4740	0.023	2	109.4740	0.001	2	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(OC[5])	109.6090	0.000	1	109.6090	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(OC[5])	109.4527	0.031	3	109.4527	0.001	3	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(OC[5])	105.9320	0.000	1	105.9320	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(OC[5])	106.9590	0.000	1	106.9590	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CH)(OH)(H){1|H<1>,5|C<4>}	H(OC[5])	109.4570	0.000	1	109.4570	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	H(OC[5])	109.4010	0.000	1	109.4010	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	H(OC[5])	110.3740	0.000	1	110.3740	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(OH)(H){1|C<3>,2|C<4>}	H(OC[5])	109.4400	0.000	1	109.4400	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[5])	109.5330	0.000	1	109.5330	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(OC[5])	109.4575	0.021	2	109.4575	0.000	2	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]N[5]H)(OH)(H){3|H<1>,4|C<3>}	H(OC[5])	109.4710	0.000	1	109.4710	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	H(OC[5])	110.2250	1.113	2	110.2250	1.239	2	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5a]O[5]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(OC[5])	106.2670	0.000	1	106.2670	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(OH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(OC[5])	109.4770	0.013	2	109.4770	0.000	2	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(OC[5])	103.8450	0.000	1	103.8450	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	106.8860	0.000	1	109.9042	9.397	20	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>,1|N<2>}	H(OC[5])	110.0680	0.000	1	109.9042	9.397	20	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	H(OC[5])	109.8367	3.277	13	109.9042	9.397	20	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<3>}	H(OC[5])	112.3770	5.269	2	109.9042	9.397	20	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(OH)(H){1|O<2>,2|C<4>}	H(OC[5])	109.4997	0.024	3	109.9042	9.397	20	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CO)(OH)(H){1|O<2>,2|C<4>}	H(OC[5])	110.1520	0.000	1	110.1520	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	H(OC[5])	109.4925	0.002	2	107.7892	6.314	11	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	H(OC[5])	107.4107	2.647	9	107.7892	6.314	11	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	109.4800	0.000	1	109.4800	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[5,6a]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	H(OC[5])	94.0006	0.000	1	94.0006	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	H(OC[5])	109.4183	0.075	4	109.4183	0.006	4	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(OC[5])	109.4650	0.000	1	109.4650	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5,6a]O[5]2)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(OC[5])	109.4430	0.000	1	109.4430	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(OH)(H){1|S<4>,2|C<4>,6|H<1>}	H(OC[5])	109.4760	0.000	1	109.4760	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(OH)(H){1|O<1>,4|C<4>}	H(OC[5])	109.4247	0.085	3	109.4247	0.007	3	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O[5]H)(OH)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(OC[5])	107.3340	0.000	1	107.3340	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CO)(OH)(H){1|H<1>,2|C<3>,2|O<1>}	H(OC[5])	109.4300	0.000	1	109.4300	0.000	1	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]2O[5])(C[5]O[5]CH)(OH)(H){2|C<3>,2|O<1>}	H(OC[5])	109.4595	0.015	2	109.4595	0.000	2	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(OC[5])	109.4710	0.000	1	109.4950	0.001	3	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CO)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	H(OC[5])	109.5070	0.013	2	109.4950	0.001	3	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(OC[5])	106.8183	1.624	3	106.8183	2.638	3	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	H(OC[5])	108.0120	0.000	1	108.7565	1.109	2	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(OH)(H){3|C<4>,3|H<1>}	H(OC[5])	109.5010	0.000	1	108.7565	1.109	2	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	H(OC[5])	108.7502	1.001	4	108.7502	1.003	4	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|B<4>,1|O<2>,2|C<4>,3|H<1>}	H(OC[5])	107.3810	0.000	1	107.6324	3.849	9	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[5])	109.4750	0.006	2	107.6324	3.849	9	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<1>,2|C<4>,2|H<1>}	H(OC[5])	109.4930	0.000	1	107.6324	3.849	9	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5]H)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	H(OC[5])	106.5736	1.928	5	107.6324	3.849	9	108.9531	10.391	110	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(OC[5])	108.2550	0.000	1	108.2550	0.000	1	108.2557	5.215	6	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[5])	110.8550	0.000	1	110.8550	0.000	1	108.2557	5.215	6	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(OC[5])	108.4390	0.000	1	108.4390	0.000	1	108.2557	5.215	6	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(OC[5])	106.5930	0.000	1	106.5930	0.000	1	108.2557	5.215	6	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6,6]C[5]H)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	H(OC[5])	107.6960	3.987	2	107.6960	15.894	2	108.2557	5.215	6	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[3,5]-4:O-2:H-1:	O-2:	O(C[5]C[3,5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(OH)(H)	H(OC[5])	O(C[5]C[3,5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[3,5]C[3,5]O[3]H)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	H(OC[5])	111.3040	0.000	1	111.3040	0.000	1	111.3040	0.000	1	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]3)(OH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(OC[5])	109.4780	0.000	1	109.4780	0.000	1	109.4657	0.000	3	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]C[5]H)(OH)(H){1|N<3>,2|C<4>,2|O<2>,6|H<1>}	H(OC[5])	109.4510	0.000	1	109.4510	0.000	1	109.4657	0.000	3	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5,5]-4:O-2:H-1:	O-2:	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,5]C[5,6]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5,5]N[5]H)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	H(OC[5])	109.4680	0.000	1	109.4680	0.000	1	109.4657	0.000	3	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]2H)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H)	H(OC[5])	O(C[5]C[5,6]2H)(H)	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5,6]C[5,6,6]C[6]H)(OH)(H){2|C<3>,5|C<4>}	H(OC[5])	107.2250	0.000	1	107.2250	0.000	1	107.2250	0.000	1	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HH)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	H(OC[5])	109.7782	0.606	4	109.7782	0.367	4	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]C[6,6]C)(C[5]C[5,6]HO)(OH)(H){1|H<1>,2|O<2>,4|C<4>}	H(OC[5])	113.6980	0.000	1	113.6980	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]O[6]C)(C[5]C[3,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]O[6]C)(C[5]C[3,5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[5])	109.4690	0.023	2	109.4690	0.001	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[3,5,6]O[6]H)(C[5]C[5,6]HO)(OH)(H){1|O<2>,4|C<4>}	H(OC[5])	104.2670	0.000	1	104.2670	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[4,6]C[5,6]O)(C[5]C[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[4,6]C[5,6]O)(C[5]C[5]CC)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(OC[5])	109.5030	0.000	1	109.5030	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,5]S[6]2)(C[5]N[5,5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,5]S[6]2)(C[5]N[5,5]CH)(OH)(H){1|H<1>,4|C<4>}	H(OC[5])	104.6270	1.318	2	104.6270	1.737	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	H(OC[5])	109.0870	0.000	1	109.0870	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	H(OC[5])	110.6470	0.000	1	109.7773	0.338	4	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	H(OC[5])	109.4745	0.069	2	109.7773	0.338	4	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	H(OC[5])	109.5130	0.000	1	109.7773	0.338	4	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	H(OC[5])	109.4390	0.000	1	109.4390	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|H<1>,6|C<4>}	H(OC[5])	109.6140	0.000	1	109.6140	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6,6]O[5,6]H)(C[5]C[5,5,6]HH)(OH)(H){1|O<2>,4|C<4>}	H(OC[5])	109.4430	0.000	1	109.4430	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]2O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	H(OC[5])	102.1660	0.000	1	102.1660	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(OH)(H){1|N<3>,2|C<4>,7|H<1>}	H(OC[5])	109.4590	0.000	1	109.4590	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(OC[5])	109.4970	0.000	1	109.5000	0.000	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,3|C<3>,3|H<1>}	H(OC[5])	109.5030	0.000	1	109.5000	0.000	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H){2|C<3>,3|C<4>}	H(OC[5])	109.4600	0.000	1	109.5813	0.319	3	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(OH)(H){2|H<1>,5|C<4>}	H(OC[5])	109.6420	0.785	2	109.5813	0.319	3	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)(OH)(H){2|H<1>,5|C<4>}	H(OC[5])	103.8390	0.000	1	103.8390	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,4|C<4>}	H(OC[5])	108.7110	2.615	2	108.7110	6.838	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]HH)(OH)(H){1|O<1>,3|H<1>,5|C<4>}	H(OC[5])	109.4717	0.007	3	109.4717	0.000	3	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	H(OC[5])	109.4900	0.000	1	109.4765	0.000	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(OH)(H){3|C<4>,4|H<1>}	H(OC[5])	109.4630	0.000	1	109.4765	0.000	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	H(OC[5])	109.5238	0.043	6	109.5238	0.002	6	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	H(OC[5])	109.4260	0.000	1	109.0748	2.548	54	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	H(OC[5])	109.4780	0.000	1	109.0748	2.548	54	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(OC[5])	109.4410	0.000	1	109.0748	2.548	54	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	H(OC[5])	109.4755	0.016	2	109.0748	2.548	54	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	H(OC[5])	109.0170	1.706	47	109.0748	2.548	54	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(OH)(H){3|C<4>,4|H<1>}	H(OC[5])	109.4725	0.026	2	109.0748	2.548	54	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	H(OC[5])	110.2763	1.374	3	110.2763	1.888	3	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(OC[5])	107.4660	2.828	2	107.4660	8.000	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[5])	109.4570	0.000	1	109.4570	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[4]H)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[4]H)(OH)(H){1|C<3>,1|O<1>,7|C<4>}	H(OC[5])	109.4640	0.000	1	109.4640	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	H(OC[5])	109.4770	0.071	2	109.4770	0.005	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[5])	109.5500	0.000	1	109.4760	0.011	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(OC[5])	109.4020	0.000	1	109.4760	0.011	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(OC[5])	109.4880	0.072	6	109.4880	0.005	6	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(OC[5])	109.4740	0.000	1	109.4740	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	H(OC[5])	107.4890	0.000	1	107.7093	19.050	3	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	H(OC[5])	107.8195	6.167	2	107.7093	19.050	3	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[5])	109.4710	0.000	1	109.4710	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HO)(OH)(H){1|O<1>,3|C<4>}	H(OC[5])	106.6070	0.000	1	106.6070	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(OC[5])	109.4600	0.000	1	109.4600	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[5])	109.4940	0.000	1	109.4940	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(OC[5])	109.3690	0.000	1	109.4323	0.003	3	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(OC[5])	109.4640	0.014	2	109.4323	0.003	3	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	H(OC[5])	109.4797	0.072	4	109.4797	0.005	4	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]CH)(OH)(H){1|H<1>,3|C<4>}	H(OC[5])	107.6916	3.161	5	107.6916	9.992	5	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	H(OC[5])	108.6060	0.000	1	108.6060	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5a]O[5]H)(OH)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(OC[5])	110.8617	1.411	3	110.8617	1.992	3	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(OH)(H){1|H<1>,2|C<4>}	H(OC[5])	107.3045	3.031	2	107.3045	9.189	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]HH)(OH)(H){1|H<1>,2|C<4>}	H(OC[5])	109.6520	0.000	1	109.6520	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(OH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(OC[5])	109.4780	0.000	1	109.4780	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(OC[5])	115.1547	11.380	4	115.1547	129.508	4	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	H(OC[5])	109.5065	0.077	2	109.5065	0.006	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,5]C[6])(C[5]C[5,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,5]C[6])(C[5]C[5,5]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(OC[5])	109.4850	0.061	2	109.4850	0.004	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	105.0540	0.000	1	105.0540	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CO)(OH)(H){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	H(OC[5])	109.4730	0.000	1	109.4730	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CO)(OH)(H){2|C<4>,4|H<1>}	H(OC[5])	109.4430	0.000	1	109.4430	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){2|C<4>,5|H<1>}	H(OC[5])	109.4450	0.000	1	113.9830	20.089	3	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){3|C<4>,4|H<1>}	H(OC[5])	116.2520	3.048	2	113.9830	20.089	3	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]BrH)(OH)(H){2|C<4>,4|H<1>}	H(OC[5])	109.4220	0.000	1	109.4220	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<2>,2|C<4>,3|H<1>}	H(OC[5])	105.6030	0.000	1	108.1543	19.304	6	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|I<1>,3|H<1>}	H(OC[5])	106.3540	8.229	2	108.1543	19.304	6	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	H(OC[5])	109.4610	0.000	1	108.1543	19.304	6	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(OC[5])	109.4910	0.000	1	108.1543	19.304	6	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(OH)(H){2|C<4>,4|H<1>}	H(OC[5])	111.6630	0.000	1	108.1543	19.304	6	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	H(OC[5])	104.4460	0.000	1	106.8116	11.103	5	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	H(OC[5])	109.4700	0.000	2	106.8116	11.103	5	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){2|C<4>,5|H<1>}	H(OC[5])	108.5240	0.000	1	106.8116	11.103	5	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(OH)(H){3|C<4>,4|H<1>}	H(OC[5])	102.1480	0.000	1	106.8116	11.103	5	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	H(OC[5])	109.4120	0.000	1	109.4120	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(OC[5])	106.8483	1.127	3	106.8483	1.270	3	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]N[6]C)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]N[6]C)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,2|O<2>}	H(OC[5])	109.4940	0.000	1	109.4940	0.000	1	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]S[6]C)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5,6]C[5]H)(H)	C[5](C[5,6]O[5,6]S[6]C)(C[5]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	H(OC[5])	109.4840	0.223	2	109.4840	0.050	2	109.1206	7.741	172	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(OC[5])	109.4705	0.039	2	109.4705	0.002	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[3x3,4,3x5,14x6]C[5,6a]H)(C[5]C[5,6a]HH)(OH)(H){2|C<3>,4|B<6>}	H(OC[5])	109.4430	0.000	1	109.4430	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[3x6]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,3|C<4>}	H(OC[5])	106.1890	0.000	1	106.1890	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[4,5]BrH)(C[5]C[4,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[4,5]BrH)(C[5]C[4,5]HH)(OH)(H){2|C<4>,2|H<1>}	H(OC[5])	109.4160	0.000	1	109.4160	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[4,5]CO)(C[5]C[4,5]HH)(OH)(H){1|S<4>,3|C<4>}	H(OC[5])	111.7520	0.000	1	111.7520	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[4,5]HO)(C[5]O[5]CH)(OH)(H){2|C<4>}	H(OC[5])	109.4410	0.013	2	109.4410	0.000	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,5]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[5])	109.4680	0.008	2	109.4680	0.000	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5,6]CC)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>}	H(OC[5])	109.4250	0.000	1	109.4250	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[5])	109.4900	0.000	1	109.4900	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]CO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	108.6060	0.000	1	108.6060	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	109.4840	0.000	1	118.6580	168.325	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	H(OC[5])	127.8320	0.000	1	118.6580	168.325	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CH)(C[5]O[5]CC)(OH)(H){1|C<4>,1|O<2>}	H(OC[5])	109.4470	0.000	1	109.4470	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	109.4790	0.000	1	109.4790	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(OC[5])	109.4530	0.000	1	109.4530	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.5160	0.000	1	109.5160	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(OC[5])	109.4740	0.000	1	109.4740	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	H(OC[5])	109.4660	0.000	1	109.4660	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	109.5190	0.067	5	109.4853	0.005	8	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|C<3>,2|C<4>}	H(OC[5])	109.3970	0.000	1	109.4853	0.005	8	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){1|H<1>,2|C<4>}	H(OC[5])	109.4520	0.000	1	109.4853	0.005	8	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(OH)(H){3|C<3>}	H(OC[5])	109.4380	0.000	1	109.4853	0.005	8	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	H(OC[5])	106.0270	0.000	1	106.0270	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)2(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HH)2(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	109.4560	0.000	1	109.4560	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HN)(C[5]N[5,5]HH)(OH)(H){2|C<4>,2|H<1>}	H(OC[5])	107.6860	0.000	1	107.6860	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5,6]HH)(OH)(H){2|C<3>,2|O<2>}	H(OC[5])	109.4450	0.000	1	109.4450	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(OH)(H){1|H<1>,2|C<4>}	H(OC[5])	108.5855	1.017	4	108.5855	1.034	4	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|B<4>,1|H<1>,2|C<4>}	H(OC[5])	113.3760	0.000	1	110.8090	4.943	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	109.5255	0.043	2	110.8090	4.943	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,5a]HN)(C[5]N[5,5a]HH)(OH)(H){2|C<3>}	H(OC[5])	104.4160	0.000	1	104.4160	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	H(OC[5])	110.8640	1.936	2	110.8640	3.748	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(OH)(H){1|C<3>,2|C<4>}	H(OC[5])	109.4780	0.000	1	109.4780	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[5])	109.4760	0.000	1	109.4760	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	109.4780	0.000	1	108.3379	11.632	11	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|C<3>,3|C<4>}	H(OC[5])	109.4480	0.000	1	108.3379	11.632	11	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){1|H<1>,3|C<4>}	H(OC[5])	109.0327	2.100	4	108.3379	11.632	11	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	H(OC[5])	109.4570	0.000	1	108.3379	11.632	11	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(OH)(H){4|C<4>}	H(OC[5])	106.8006	5.413	4	108.3379	11.632	11	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(OH)(H){4|C<4>}	H(OC[5])	105.3560	0.000	1	105.3560	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>}	H(OC[5])	109.4990	0.000	1	109.4990	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	H(OC[5])	109.4270	0.000	1	109.4355	0.000	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,5|C<4>}	H(OC[5])	109.4440	0.000	1	109.4355	0.000	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	H(OC[5])	109.0615	0.576	2	109.0615	0.332	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(OC[5])	109.4780	0.000	1	109.4780	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<3>}	H(OC[5])	108.4560	2.008	4	108.4560	4.034	4	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	H(OC[5])	109.5210	0.000	1	109.5210	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)2(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HH)2(OH)(H){2|C<4>,2|H<1>}	H(OC[5])	109.3160	3.845	2	109.3160	14.786	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(OH)(H){2|C<4>,2|H<1>}	H(OC[5])	110.2690	0.000	1	110.2690	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){1|H<1>,2|C<4>}	H(OC[5])	112.7670	0.000	1	109.8783	4.340	4	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]HH)(OH)(H){2|C<4>,2|H<1>}	H(OC[5])	108.9153	0.973	3	109.8783	4.340	4	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(OH)(H){2|C<3>}	H(OC[5])	107.8528	3.598	11	107.8528	12.947	11	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H){2|C<3>}	H(OC[5])	109.4540	0.000	1	109.4540	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(OH)(H){1|C<4>,3|C<3>}	H(OC[5])	109.5725	0.013	2	109.5725	0.000	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	H(OC[5])	109.5400	0.000	1	109.5400	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(OH)(H){2|C<4>,5|H<1>}	H(OC[5])	109.5220	0.000	1	109.5220	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(OH)(H){2|C<4>,5|H<1>}	H(OC[5])	109.4470	0.000	1	109.4470	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[5])	109.5125	0.026	2	109.5125	0.001	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrF)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	112.7860	2.277	2	112.7860	5.184	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(OH)(H){1|N<3>,1|O<2>,2|H<1>}	H(OC[5])	107.6270	0.000	1	107.6270	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	H(OC[5])	109.4940	0.000	1	109.4940	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]BrH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	109.4530	0.000	1	109.4530	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[5])	109.2006	0.611	5	109.0733	0.785	21	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>}	H(OC[5])	109.4960	0.000	1	109.0733	0.785	21	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<3>,3|H<1>}	H(OC[5])	108.3700	0.000	1	109.0733	0.785	21	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	109.7680	0.000	1	109.0733	0.785	21	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	H(OC[5])	109.5010	0.000	1	109.0733	0.785	21	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[5])	109.4575	0.027	4	109.0733	0.785	21	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|O<1>,2|H<1>}	H(OC[5])	109.4595	0.029	2	109.0733	0.785	21	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){1|O<2>,3|H<1>}	H(OC[5])	109.4615	0.013	2	109.0733	0.785	21	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){2|C<4>}	H(OC[5])	109.4640	0.000	1	109.0733	0.785	21	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(OH)(H){4|H<1>}	H(OC[5])	107.4220	1.277	3	109.0733	0.785	21	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(OC[5])	109.4050	0.000	1	109.1439	0.690	7	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[5])	108.7300	1.267	3	109.1439	0.690	7	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	109.5740	0.000	1	109.1439	0.690	7	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	H(OC[5])	109.4890	0.000	1	109.1439	0.690	7	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	H(OC[5])	109.3490	0.000	1	109.1439	0.690	7	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(OH)(H){1|C<4>,1|O<1>}	H(OC[5])	106.8660	0.000	1	106.8660	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	H(OC[5])	107.7460	0.000	1	107.7460	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H){1|C<3>,2|H<1>}	H(OC[5])	111.0190	0.000	1	110.2630	1.143	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(OH)(H){1|H<1>,1|O<1>}	H(OC[5])	109.5070	0.000	1	110.2630	1.143	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(OC[5])	109.4900	0.000	1	110.1458	2.250	5	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(OC[5])	110.3097	1.680	4	110.1458	2.250	5	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	109.4980	0.000	1	110.5037	3.135	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(OC[5])	111.0065	2.180	2	110.5037	3.135	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	H(OC[5])	96.8878	0.000	1	103.1844	79.294	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(OH)(H){1|C<4>,3|H<1>}	H(OC[5])	109.4810	0.000	1	103.1844	79.294	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[5])	114.6300	0.000	1	110.3996	4.393	17	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	109.5030	0.000	1	110.3996	4.393	17	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	109.5900	0.000	1	110.3996	4.393	17	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	H(OC[5])	109.5195	0.056	2	110.3996	4.393	17	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|C<4>,3|H<1>}	H(OC[5])	109.4628	0.015	5	110.3996	4.393	17	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){1|N<3>,3|H<1>}	H(OC[5])	116.2020	0.000	1	110.3996	4.393	17	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(OH)(H){4|H<1>}	H(OC[5])	110.0860	1.465	6	110.3996	4.393	17	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|H<1>}	H(OC[5])	106.9167	2.214	3	108.8761	2.689	11	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|F<1>,1|N<3>,2|H<1>}	H(OC[5])	109.5590	0.000	1	108.8761	2.689	11	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>,2|F<1>}	H(OC[5])	109.4413	0.064	3	108.8761	2.689	11	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<1>,3|C<4>}	H(OC[5])	109.4350	0.000	1	108.8761	2.689	11	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(OH)(H){1|O<2>,3|C<4>}	H(OC[5])	109.8563	0.685	3	108.8761	2.689	11	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(OH)(H){1|C<3>,2|H<1>}	H(OC[5])	106.6700	6.333	2	106.6700	40.105	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	108.6425	1.124	2	108.9948	0.504	5	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	H(OC[5])	109.4580	0.000	1	108.9948	0.504	5	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	H(OC[5])	108.7530	0.000	1	108.9948	0.504	5	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	H(OC[5])	109.4780	0.000	1	108.9948	0.504	5	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(OH)(H){1|S<4>,2|H<1>}	H(OC[5])	104.5073	2.325	3	104.5073	5.407	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CC)(OH)(H){1|O<1>}	H(OC[5])	107.8720	0.000	1	107.8720	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(OC[5])	103.6380	0.000	1	108.4928	5.658	6	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	109.4240	0.000	1	108.4928	5.658	6	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(OC[5])	109.4760	0.058	2	108.4928	5.658	6	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(OC[5])	109.4715	0.006	2	108.4928	5.658	6	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|C<4>}	H(OC[5])	109.4900	0.000	1	109.4607	0.001	4	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){1|C<3>,1|H<1>}	H(OC[5])	109.4190	0.000	1	109.4607	0.001	4	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)(C[5]S[5]HH)(OH)(H){2|H<1>,2|O<1>}	H(OC[5])	109.4670	0.021	2	109.4607	0.001	4	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)2(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CH)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	109.5180	0.000	1	109.5180	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CN)(C[5]S[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CN)(C[5]S[5]HH)(OH)(H){1|O<1>}	H(OC[5])	109.4715	0.006	2	109.4715	0.000	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	105.7150	0.000	1	106.7450	2.122	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(OH)(H){1|C<3>,3|H<1>}	H(OC[5])	107.7750	0.000	1	106.7450	2.122	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	H(OC[5])	109.4900	0.000	1	109.4900	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	H(OC[5])	109.4680	0.000	1	109.4680	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CC)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	109.4600	0.000	1	109.4600	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	108.6113	3.571	3	108.0180	11.028	7	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(OC[5])	109.2727	1.441	3	108.0180	11.028	7	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(OH)(H){2|H<1>}	H(OC[5])	102.4740	0.000	1	108.0180	11.028	7	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CS)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]CS)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(OC[5])	109.4280	0.000	1	109.4280	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(OC[5])	107.5350	0.000	1	107.5350	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]C[6]O)(C[5]O[5]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	H(OC[5])	109.4830	0.000	1	109.4830	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]ClH)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(OC[5])	110.0390	0.000	1	110.0390	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FF)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	105.9920	0.000	1	105.9920	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	105.5310	0.000	1	105.5310	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	109.5570	0.000	1	107.4470	2.127	4	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	H(OC[5])	106.7437	0.472	3	107.4470	2.127	4	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	108.9480	0.000	1	108.9480	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	108.6131	1.609	9	108.6131	2.588	9	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	109.5010	0.000	1	109.5010	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	107.1390	1.321	2	107.1390	1.745	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){1|Br<1>,1|O<2>,2|H<1>}	H(OC[5])	112.5920	0.000	1	109.1229	4.442	7	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(OH)(H){4|H<1>}	H(OC[5])	108.5447	1.588	6	109.1229	4.442	7	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<3>,3|C<4>}	H(OC[5])	109.4590	0.000	1	108.6647	6.150	4	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	H(OC[5])	109.5040	0.000	1	108.6647	6.150	4	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){1|N<4>,3|H<1>}	H(OC[5])	105.0390	0.000	1	108.6647	6.150	4	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(OH)(H){2|H<1>,2|O<2>}	H(OC[5])	110.6570	0.000	1	108.6647	6.150	4	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(OH)(H){1|O<1>,2|H<1>}	H(OC[5])	107.8240	0.000	1	107.8240	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H){1|C<4>,1|O<1>}	H(OC[5])	105.5300	0.000	2	107.4590	11.163	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(OH)(H){1|C<4>,2|H<1>}	H(OC[5])	111.3170	0.000	1	107.4590	11.163	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	109.4520	0.043	4	109.0601	1.988	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,1|O<1>}	H(OC[5])	108.5530	0.000	1	109.0601	1.988	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	H(OC[5])	107.4270	2.881	2	109.0601	1.988	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|C<4>,1|O<1>}	H(OC[5])	109.5040	0.000	1	109.0601	1.988	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,1|O<1>}	H(OC[5])	108.8935	2.652	2	109.0601	1.988	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<3>}	H(OC[5])	109.4610	0.000	1	109.0601	1.988	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	H(OC[5])	109.4240	0.000	1	109.0601	1.988	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	H(OC[5])	110.3900	0.000	1	109.0601	1.988	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	109.4850	0.000	1	108.8530	2.925	46	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	108.5595	1.237	2	108.8530	2.925	46	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<3>,2|H<1>}	H(OC[5])	109.4200	0.000	1	108.8530	2.925	46	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	H(OC[5])	109.4440	0.000	1	108.8530	2.925	46	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,1|O<1>}	H(OC[5])	109.4690	0.036	3	108.8530	2.925	46	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|C<4>,3|H<1>}	H(OC[5])	107.7110	0.000	1	108.8530	2.925	46	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|Co<6>,1|C<3>,2|H<1>}	H(OC[5])	109.4450	0.030	2	108.8530	2.925	46	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	H(OC[5])	108.7647	1.921	35	108.8530	2.925	46	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(OC[5])	108.6863	2.657	19	108.6903	16.475	147	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	110.6569	3.382	8	108.6903	16.475	147	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	108.5517	4.301	118	108.6903	16.475	147	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(OC[5])	108.6120	0.000	1	108.6903	16.475	147	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(OH)(H){2|C<4>}	H(OC[5])	109.4690	0.000	1	108.6903	16.475	147	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	108.0750	0.000	1	108.0750	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>,1|O<1>}	H(OC[5])	98.7191	0.000	1	103.5230	46.156	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)(C[5]S[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	108.3270	0.000	1	103.5230	46.156	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)2(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HH)2(OH)(H){2|C<4>,2|H<1>}	H(OC[5])	109.5540	0.000	1	109.5540	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HI)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	112.0190	0.000	1	112.0190	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(OH)(H){4|H<1>}	H(OC[5])	108.5960	1.080	2	108.5960	1.167	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	H(OC[5])	108.8220	3.681	5	108.8220	13.552	5	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<3>,1|O<1>}	H(OC[5])	109.4630	0.000	1	116.4387	54.621	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]N[5]HH)(OH)(H){1|C<4>,1|H<1>,1|S<4>}	H(OC[5])	119.9265	6.021	2	116.4387	54.621	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	109.4200	0.000	1	109.2850	0.036	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(OC[5])	109.1500	0.000	1	109.2850	0.036	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	109.7533	1.565	3	109.7533	2.448	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HN)(C[5]S[5]HH)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	109.5160	0.000	1	109.5160	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	109.0120	0.652	2	108.5539	2.582	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	105.2710	0.000	1	108.5539	2.582	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,2|H<1>}	H(OC[5])	108.2180	0.000	1	108.5539	2.582	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<3>,3|H<1>}	H(OC[5])	109.4590	0.000	1	108.5539	2.582	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,2|H<1>}	H(OC[5])	107.3465	3.024	2	108.5539	2.582	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|C<4>,3|H<1>}	H(OC[5])	109.6650	0.331	3	108.5539	2.582	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){1|H<1>,2|C<4>}	H(OC[5])	109.4515	0.022	2	108.5539	2.582	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(OH)(H){2|C<4>,2|H<1>}	H(OC[5])	107.6380	0.000	1	108.5539	2.582	13	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	107.6010	0.000	1	109.1398	0.570	6	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(OH)(H){1|C<4>,2|H<1>}	H(OC[5])	109.4476	0.049	5	109.1398	0.570	6	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	104.8470	0.000	1	104.1097	6.250	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){1|H<1>,1|O<2>}	H(OC[5])	106.1580	0.000	1	104.1097	6.250	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){2|H<1>}	H(OC[5])	101.3240	0.000	1	104.1097	6.250	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	105.1975	2.412	2	105.1975	5.817	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<2>,1|C<3>}	H(OC[5])	109.4450	0.000	1	109.3895	24.798	118	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|H<1>}	H(OC[5])	108.8680	3.348	27	109.3895	24.798	118	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<3>,1|N<2>}	H(OC[5])	104.3290	0.000	1	109.3895	24.798	118	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	109.4770	0.000	1	109.3895	24.798	118	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|C<4>,1|O<2>}	H(OC[5])	107.4438	2.738	13	109.3895	24.798	118	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	110.1073	5.389	59	109.3895	24.798	118	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(OC[5])	111.6271	8.621	8	109.3895	24.798	118	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(OC[5])	106.7083	4.886	6	109.3895	24.798	118	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(OH)(H){2|H<1>}	H(OC[5])	109.4560	0.013	2	109.3895	24.798	118	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	108.9670	0.000	1	108.9670	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	109.5872	3.052	13	109.6049	8.601	14	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	109.8350	0.000	1	109.6049	8.601	14	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<3>,1|C<4>}	H(OC[5])	111.0770	0.000	1	112.9082	57.228	6	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	109.5665	0.095	2	112.9082	57.228	6	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	109.4710	0.021	2	112.9082	57.228	6	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(OH)(H){1|O<1>}	H(OC[5])	128.2970	0.000	1	112.9082	57.228	6	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	109.7874	1.497	11	109.7874	2.240	11	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)2(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HO)2(OH)(H){1|O<2>,3|H<1>}	H(OC[5])	109.4745	1.414	2	109.4745	1.998	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]HS)(C[5]O[5]CH)(OH)(H){1|O<1>}	H(OC[5])	108.3167	2.030	3	108.3167	4.120	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(OC[5])	109.4450	0.000	2	109.4450	0.000	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	H(OC[5])	109.4750	0.000	1	109.4750	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[5])	109.4700	0.000	1	109.4700	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	H(OC[5])	109.4920	0.000	1	109.4920	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(OC[5])	109.9350	0.000	1	109.9350	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]O[5]C)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(OC[5])	109.4400	0.000	1	109.4400	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(OC[5])	109.9560	1.551	10	110.0666	2.300	11	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(OC[5])	111.1730	0.000	1	110.0666	2.300	11	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	H(OC[5])	108.9425	0.766	2	108.9425	0.586	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(OH)(H){2|C<3>,4|H<1>}	H(OC[5])	109.4885	0.005	2	109.4885	0.000	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HN)(OH)(H){2|C<3>,4|H<1>}	H(OC[5])	106.0090	0.000	1	106.0090	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	H(OC[5])	110.7915	1.884	2	110.7915	3.551	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)2(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]H)2(OH)(H){1|C<2>,5|C<3>}	H(OC[5])	103.0590	0.000	1	103.0590	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){1|O<1>,2|C<3>}	H(OC[5])	106.6920	0.000	1	106.9855	0.172	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(OH)(H){2|C<3>,2|H<1>}	H(OC[5])	107.2790	0.000	1	106.9855	0.172	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	H(OC[5])	109.4860	0.000	1	109.4860	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	108.0358	2.620	5	107.1693	9.995	6	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(OH)(H){1|S<4>,2|C<3>,2|H<1>}	H(OC[5])	102.8370	0.000	1	107.1693	9.995	6	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	H(OC[5])	112.4680	0.000	1	112.4680	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	106.8310	0.000	1	106.8310	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|O<1>,2|C<3>}	H(OC[5])	109.4380	0.000	1	109.4380	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HN)(OH)(H){1|O<1>,2|C<3>}	H(OC[5])	111.5785	4.297	2	111.5785	18.465	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(OC[5])	107.7340	4.635	4	108.7420	13.913	15	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.1085	3.533	11	108.7420	13.913	15	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HS)(OH)(H){1|O<1>,2|C<3>}	H(OC[5])	109.4483	0.029	4	109.4483	0.001	4	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	107.1760	0.000	1	107.1760	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]CH)(C[5]N[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]CH)(C[5]N[5]HH)(OH)(H){2|C<3>}	H(OC[5])	109.4280	0.000	1	109.4280	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<2>,1|H<1>,2|C<3>}	H(OC[5])	109.4863	0.057	3	110.6269	44.262	16	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	110.8902	7.411	13	110.6269	44.262	16	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]2C[5])(C[5]C[5]HH)(OH)(H){1|O<1>,2|C<3>,2|H<1>,2|N<2>}	H(OC[5])	107.3900	0.000	1	107.3900	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	H(OC[5])	109.4825	0.009	2	109.4740	0.000	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]HO)(OH)(H){2|C<4>,3|C<3>}	H(OC[5])	109.4570	0.000	1	109.4740	0.000	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[3,5]HO)(OH)(H){2|C<3>,2|C<4>}	H(OC[5])	109.9960	0.000	1	109.9960	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]CO)(OH)(H){1|H<1>,3|C<3>}	H(OC[5])	110.4050	0.000	1	110.4050	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	108.3840	0.000	1	108.3840	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(OC[5])	109.8103	1.513	10	109.2173	5.988	29	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	108.7730	3.167	15	109.2173	5.988	29	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){1|H<1>,3|C<3>}	H(OC[5])	109.3185	0.039	2	109.2173	5.988	29	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	H(OC[5])	109.4830	0.051	2	109.2173	5.988	29	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.4250	0.000	1	109.4250	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	107.3933	2.628	3	107.3933	6.905	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	H(OC[5])	109.4640	0.000	1	109.4760	0.000	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	H(OC[5])	109.4880	0.000	1	109.4760	0.000	2	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	106.5047	3.759	6	106.5047	14.126	6	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.4560	0.000	1	109.4560	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.9699	4.044	16	109.7297	15.240	18	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|C<4>}	H(OC[5])	106.1490	0.000	1	109.7297	15.240	18	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(OH)(H){2|C<3>,2|H<1>}	H(OC[5])	109.4680	0.000	1	109.7297	15.240	18	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	117.2400	0.000	1	117.2400	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]S[5]CC)(C[5]S[5]HH)(OH)(H)	H(OC[5])	110.0240	0.000	1	110.0240	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]CO)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	109.4813	0.014	3	109.4813	0.000	3	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HH)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HH)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	100.9630	0.000	1	100.9630	0.000	1	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>}	H(OC[5])	111.4849	7.437	22	111.1897	51.768	24	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>}	H(OC[5])	106.1810	0.000	1	111.1897	51.768	24	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:1:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	O-2:	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	H(OC[5])	O(C[5]C[5]2H)(H)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){2|H<1>}	H(OC[5])	109.7050	0.000	1	111.1897	51.768	24	109.1203	13.753	823	109.0917	12.061	1165	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:2:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:C-2:O-2:	O-2:	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(CC)(OH)	H(OC[5])	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HO)(CC)(OH){1|N<3>,4|H<1>}	H(OC[5])	107.6770	2.565	2	107.6770	6.581	2	107.6770	6.581	2	109.1620	12.125	85	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-2:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){1|C<3>,1|C<4>,5|H<1>}	H(OC[5])	111.0455	2.210	2	108.8084	13.700	56	108.8084	13.700	56	109.1620	12.125	85	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-2:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(OH){2|C<4>,5|H<1>}	H(OC[5])	108.7255	3.732	54	108.8084	13.700	56	108.8084	13.700	56	109.1620	12.125	85	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[5,6]C[5]O[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]2H)(O[5]C[5])(OH){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(OC[5])	119.2000	0.000	1	119.2000	0.000	1	119.2000	0.000	1	109.1620	12.125	85	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[5])	107.6040	0.000	1	107.6040	0.000	1	109.9646	4.638	22	109.1620	12.125	85	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)2(CC)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)2(CC)(OH){4|H<1>}	H(OC[5])	109.9769	2.144	20	109.9769	4.598	20	109.9646	4.638	22	109.1620	12.125	85	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-2:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(CC)(OH){1|H<1>,1|N<3>}	H(OC[5])	112.0780	0.000	1	112.0780	0.000	1	109.9646	4.638	22	109.1620	12.125	85	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:O-2:	O-2:	O(C[5]C[5]2O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO)	H(OC[5])	O(C[5]C[5]2O)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(OH)(OO){1|H<1>,1|O<2>,2|C<4>}	H(OC[5])	103.2950	0.000	1	103.2950	0.000	1	103.2950	0.000	1	109.1620	12.125	85	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5]C[5]2O[5])(H)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[5]2O[5])(H)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(O[5]C[5])(OH){4|C<4>,4|H<1>}	H(OC[5])	109.5160	0.000	1	109.5160	0.000	1	109.4770	0.002	3	109.1620	12.125	85	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5]C[5]2O[5])(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[5]2O[5])(H)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(O[5]C[5])(OH){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	H(OC[5])	109.4930	0.000	1	109.4930	0.000	1	109.4770	0.002	3	109.1620	12.125	85	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:2:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:O[5]-2:O-2:	O-2:	O(C[5]C[5]2O[5])(H)	C[5](C[5]C[5]2H)(C[5]C[5]CO)(O[5]C[5])(OH)	H(OC[5])	O(C[5]C[5]2O[5])(H)	C[5](C[5]C[5]2H)(C[5]C[5]CO)(O[5]C[5])(OH){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	H(OC[5])	109.4220	0.000	1	109.4220	0.000	1	109.4770	0.002	3	109.1620	12.125	85	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[3,5]-4:C-4:C[5]-3:O-2:	O-2:	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH)	H(OC[5])	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(OC[5])	109.4750	0.025	2	109.4750	0.001	2	109.4750	0.001	2	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[3]-4:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[3]C[5]2)(H)	C[5](C[3]C[3,5]O[3]H)(C[5]C[5]CH)(C[5]O[5]O)(OH)	H(OC[5])	O(C[5]C[3]C[5]2)(H)	C[5](C[3]C[3,5]O[3]H)(C[5]C[5]CH)(C[5]O[5]O)(OH){4|C<4>}	H(OC[5])	106.9450	0.000	1	106.9450	0.000	1	106.9450	0.000	1	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[3x6]-4:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[3x6]C[5]2)(H)	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH)	H(OC[5])	O(C[5]C[3x6]C[5]2)(H)	C[5](C[3x6]C[6,6]3)(C[5]C[5]HO)(C[5]O[5]O)(OH){3|C<4>,8|H<1>}	H(OC[5])	108.1340	0.000	1	108.1340	0.000	1	108.1340	0.000	1	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,5]2C[5])(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5]O[5]C)(OH)	H(OC[5])	O(C[5]C[5,5]2C[5])(H)	C[5](C[5,5]C[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5]O[5]C)(OH){3|C<4>,3|H<1>,4|O<2>}	H(OC[5])	109.8680	0.000	1	109.8680	0.000	1	109.8680	0.000	1	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(OC[5])	109.5310	0.000	1	109.0253	0.690	3	108.8745	0.958	6	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|S<4>,2|C<4>,4|H<1>}	H(OC[5])	109.4780	0.000	1	109.0253	0.690	3	108.8745	0.958	6	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCH)(OH){1|S<4>,2|H<1>,3|C<3>}	H(OC[5])	108.0670	0.000	1	109.0253	0.690	3	108.8745	0.958	6	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)(OH){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(OC[5])	109.5070	0.000	1	109.5070	0.000	1	108.8745	0.958	6	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(COO)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(COO)(OH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(OC[5])	107.2470	0.000	1	107.2470	0.000	1	108.8745	0.958	6	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(COO)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]HH)(COO)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[5])	109.4170	0.000	1	109.4170	0.000	1	108.8745	0.958	6	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	O-2:	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	H(OC[5])	109.4558	0.027	6	109.4558	0.001	6	109.4661	0.001	9	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:O-2:	O-2:	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[5,5]C[6a]C[5])(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	H(OC[5])	109.4867	0.032	3	109.4867	0.001	3	109.4661	0.001	9	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	H(OC[5])	109.4650	0.000	1	109.6643	0.165	4	109.3264	13.593	30	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]BrH)(CCO)(OH){2|C<4>,5|H<1>}	H(OC[5])	109.7307	0.470	3	109.6643	0.165	4	109.3264	13.593	30	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	H(OC[5])	101.9510	2.083	2	106.4492	17.947	5	109.3264	13.593	30	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCO)(OH){2|C<4>,5|H<1>}	H(OC[5])	109.4480	0.025	3	106.4492	17.947	5	109.3264	13.593	30	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCC)(OH){2|C<4>,5|H<1>}	H(OC[5])	109.5320	0.000	1	109.5320	0.000	1	109.3264	13.593	30	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)(OH){2|C<4>,5|H<1>}	H(OC[5])	109.5900	0.000	1	109.5900	0.000	1	109.3264	13.593	30	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){1|C<3>,1|C<4>,5|H<1>}	H(OC[5])	114.4810	8.695	3	110.2202	26.819	11	109.3264	13.593	30	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,2|O<2>,3|H<1>}	H(OC[5])	105.7010	0.000	1	110.2202	26.819	11	109.3264	13.593	30	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(OH){2|C<4>,5|H<1>}	H(OC[5])	109.0397	2.322	7	110.2202	26.819	11	109.3264	13.593	30	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCO)(OH){2|C<4>,5|H<1>}	H(OC[5])	110.2590	1.055	2	110.2590	1.113	2	109.3264	13.593	30	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)(OH){1|H<1>,2|C<3>,4|C<4>}	H(OC[5])	109.4470	0.000	1	109.4470	0.000	1	109.3264	13.593	30	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)(OH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(OC[5])	109.4790	0.035	3	109.4790	0.001	3	109.3264	13.593	30	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(COO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)(COO)(OH){1|C<4>,1|H<1>,1|O<2>}	H(OC[5])	109.4710	0.054	2	109.4710	0.003	2	109.3264	13.593	30	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(COO)(OH){1|H<1>,3|C<4>}	H(OC[5])	108.8500	0.000	1	108.8500	0.000	1	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(COO)(OH){4|H<1>}	H(OC[5])	109.4610	0.000	1	109.4610	0.000	1	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CCO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CCO)(OH){1|O<1>,2|H<1>}	H(OC[5])	109.4750	0.000	1	109.4750	0.000	1	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCH)(OH){4|H<1>}	H(OC[5])	107.2660	0.000	1	107.2660	0.000	1	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)(OH){1|C<4>,3|H<1>}	H(OC[5])	109.5070	0.000	1	109.5070	0.000	1	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(OH){4|H<1>}	H(OC[5])	109.4780	0.000	1	109.4780	0.000	1	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH){1|C<4>,1|H<1>,2|O<2>}	H(OC[5])	118.3120	0.000	1	107.6812	55.259	5	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	105.0235	5.157	4	107.6812	55.259	5	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	109.4455	0.009	2	109.4455	0.000	2	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(COO)(OH){4|H<1>}	H(OC[5])	109.0430	0.000	1	109.0430	0.000	1	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(COO)(OH){4|H<1>}	H(OC[5])	109.4745	0.033	2	109.4745	0.001	2	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]HH)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]HH)(COO)(OH){1|O<1>}	H(OC[5])	109.4573	0.004	3	109.4573	0.000	3	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)(OH){1|O<1>}	H(OC[5])	110.9260	3.231	4	110.9260	10.441	4	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)2(CC[6a]N)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)2(CC[6a]N)(OH){4|H<1>}	H(OC[5])	105.0510	0.000	1	105.0510	0.000	1	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)2(CCuC)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)2(CCuC)(OH){4|H<1>}	H(OC[5])	105.3047	4.853	6	105.3047	23.547	6	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)2(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)2(COO)(OH){4|H<1>}	H(OC[5])	109.4875	0.019	2	109.4875	0.000	2	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CNO)(OH){1|C<4>,1|H<1>}	H(OC[5])	103.5770	0.000	1	103.5770	0.000	1	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(COO)(OH){1|N<2>,1|O<2>,2|C<3>}	H(OC[5])	109.4300	0.000	1	109.4300	0.000	1	108.2430	15.369	34	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH)	H(OC[5])	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH){1|C<3>,3|C<4>,4|H<1>}	H(OC[5])	109.5060	0.000	1	109.4732	0.002	5	109.4755	0.002	6	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH)	H(OC[5])	O(C[5]C[5]3)(H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(OH){4|C<4>,4|H<1>}	H(OC[5])	109.4650	0.048	4	109.4732	0.002	5	109.4755	0.002	6	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5]3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]2C)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5]3)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]2C)(C[5]C[5]C)(OH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(OC[5])	109.4870	0.000	1	109.4870	0.000	1	109.4755	0.002	6	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	H(OC[5])	108.2700	0.000	1	108.2700	0.000	1	110.0698	1.641	10	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	H(OC[5])	109.4850	0.000	1	109.4850	0.000	1	110.0698	1.641	10	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	H(OC[5])	110.6643	1.293	6	110.6643	1.673	6	110.0698	1.641	10	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	O-2:	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH)	H(OC[5])	O(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	H(OC[5])	109.4785	0.013	2	109.4785	0.000	2	110.0698	1.641	10	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:C[6]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5]2C[6])(H)	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5]2C[6])(H)	C[5](C[5]C[5]HH)(C[6]C[6]2O)(C[5]C[5]C)(OH){1|Si<4>,1|O<1>,3|C<4>,3|H<1>}	H(OC[5])	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:3:2:	2:	C[5]-4:H-1:	C[5]-4:N[5]-4:C-3:O-2:	O-2:	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH)	H(OC[5])	O(C[5]C[5]N[5]C)(H)	C[5](C[5]C[5]CH)(N[5]N[5]CC)(COO)(OH){1|C<3>}	H(OC[5])	109.5160	0.000	1	109.5160	0.000	1	109.5160	0.000	1	109.0090	9.556	102	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[3,5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[3,5,6]C[5]C)(H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[3,5,6]C[5]C)(H)	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CH3)(OH){2|C<4>,4|H<1>}	H(OC[5])	109.4830	0.000	1	109.4830	0.000	1	109.4830	0.000	1	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)(OH){2|C<4>,3|H<1>}	H(OC[5])	107.6445	4.905	4	107.6445	24.056	4	108.5262	6.753	13	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	H(OC[5])	109.0745	1.081	2	109.0745	1.169	2	108.5262	6.753	13	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(OH)	H(OC[5])	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(OH){1|C<3>,1|H<1>,3|C<4>}	H(OC[5])	109.4700	0.000	1	109.4700	0.000	1	108.5262	6.753	13	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(OH){1|C<4>,2|H<1>}	H(OC[5])	109.4890	0.000	1	109.4890	0.000	1	108.5262	6.753	13	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>,4|H<1>}	H(OC[5])	109.4610	0.000	1	109.4610	0.000	1	108.5262	6.753	13	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[5,5]C[3]O[3])(C[5]C[5,5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[3,5]C[5]C)(H)	C[5](C[3,5]C[5,5]C[3]O[3])(C[5]C[5,5]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	H(OC[5])	108.4235	0.647	4	108.4235	0.419	4	108.5262	6.753	13	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[3,5]-4:N[5]-4:C-4:O-2:	O-2:	O(C[5]C[3,5]N[5]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(CF3)(OH)	H(OC[5])	O(C[5]C[3,5]N[5]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]HH)(CF3)(OH){1|C<3>,2|C<4>,2|H<1>}	H(OC[5])	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[3]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[3]C[5]2)(H)	C[5](C[3]C[3]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[3]C[5]2)(H)	C[5](C[3]C[3]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){2|C<4>,6|H<1>}	H(OC[5])	108.1587	1.923	3	108.1587	3.698	3	108.1587	3.698	3	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[3x5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[3x5,6]C[5]C)(H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[3x5,6]C[5]C)(H)	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(OH){1|O<2>,4|C<4>,5|H<1>}	H(OC[5])	111.8535	1.692	2	111.8535	2.863	2	111.8535	2.863	2	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[4,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[4,5]C[5]C)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[4,5]C[5]C)(H)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(CH3)(OH){1|C<4>,2|O<2>,3|H<1>}	H(OC[5])	109.4930	0.000	1	109.4930	0.000	1	111.6365	9.189	2	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[4,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[4,5]C[5]C)(H)	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]HO)(CH3)(OH)	H(OC[5])	O(C[5]C[4,5]C[5]C)(H)	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]HO)(CH3)(OH){2|C<4>,4|H<1>}	H(OC[5])	113.7800	0.000	1	113.7800	0.000	1	111.6365	9.189	2	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)(OH){2|H<1>,2|O<2>,3|C<4>}	H(OC[5])	109.5000	0.000	1	109.5000	0.000	1	108.8239	4.635	8	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH)	H(OC[5])	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH){1|H<1>,3|C<4>,3|O<2>}	H(OC[5])	107.4820	0.000	1	110.5745	19.127	2	108.8239	4.635	8	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH)	H(OC[5])	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH){3|C<4>,4|O<2>}	H(OC[5])	113.6670	0.000	1	110.5745	19.127	2	108.8239	4.635	8	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	H(OC[5])	108.6500	0.000	2	108.3710	0.104	4	108.8239	4.635	8	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(OC[5])	108.0920	0.000	2	108.3710	0.104	4	108.8239	4.635	8	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,5,6]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,5,6]C[5]C)(H)	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(OC[5])	106.4580	0.000	1	106.4580	0.000	1	108.8239	4.635	8	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5,6]C)(H)	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OH)	H(OC[5])	O(C[5]C[5,5]C[5,6]C)(H)	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	H(OC[5])	109.4830	0.000	1	109.4830	0.000	1	109.4830	0.000	1	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(OH){3|H<1>,4|C<4>}	H(OC[5])	111.1140	5.580	2	111.1140	31.142	2	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CH3)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(OC[5])	108.2680	0.000	1	108.2680	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(OH){1|H<1>,4|C<4>}	H(OC[5])	109.4890	0.000	1	109.4890	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(CHHO)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	H(OC[5])	109.4160	0.000	1	109.4160	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHN)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHN)(OH){2|C<4>,2|H<1>,2|O<2>}	H(OC[5])	109.0790	0.000	1	109.0790	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCl3)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCl3)(OH){2|C<4>,2|H<1>,2|O<2>}	H(OC[5])	109.4510	0.000	1	109.4510	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(OH){2|C<4>,2|H<1>,2|O<2>}	H(OC[5])	109.7040	0.000	1	109.7040	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CSnHH)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CSnHH)(OH){2|C<4>,2|H<1>,2|O<2>}	H(OC[5])	109.3650	0.000	1	109.3650	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(CCHN)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(CCHN)(OH){1|H<1>,2|C<4>}	H(OC[5])	109.5060	0.000	1	109.5060	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)(OH){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(OC[5])	111.2550	0.000	1	111.2550	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(OC[5])	109.4480	0.000	1	109.4610	0.000	2	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|N<3>,4|H<1>}	H(OC[5])	109.4740	0.000	1	109.4610	0.000	2	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(OH){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(OC[5])	109.4668	0.024	5	109.4668	0.001	5	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]HO)(CH3)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	H(OC[5])	109.4760	0.000	1	109.4760	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CCHO)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CCHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(OC[5])	111.6110	1.201	2	111.6110	1.442	2	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CC[6a]HH)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(OC[5])	111.8160	0.000	1	111.8160	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHO)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(OC[5])	111.4950	0.000	1	111.4950	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHS)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHS)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(OC[5])	109.4080	0.000	1	109.4080	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CC[6a]HH)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(OC[5])	106.4450	2.605	2	106.4450	6.786	2	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CHHO)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CHHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(OC[5])	111.0090	0.000	1	111.0090	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]C)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<3>,5|H<1>}	H(OC[5])	109.4530	0.000	1	109.4530	0.000	1	109.7424	3.222	28	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[5,5]C[5]2)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(C[5]O[5]CH)(OH)	H(OC[5])	O(C[5]C[5,5]C[5]2)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(C[5]O[5]CH)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(OC[5])	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(CH3)(OH){2|C<4>,2|H<1>,3|O<2>}	H(OC[5])	103.9850	0.000	2	103.9850	0.000	2	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(OC[5])	107.0600	0.000	1	108.8335	1.402	4	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(OC[5])	109.4247	0.078	3	108.8335	1.402	4	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|O<2>}	H(OC[5])	110.3470	0.000	1	110.3470	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(OC[5])	112.0060	0.000	1	112.0060	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)(OH){1|O<2>,2|C<4>,3|C<3>}	H(OC[5])	109.4930	0.019	3	109.4930	0.000	3	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(OC[5])	109.4690	0.000	1	109.4690	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(OC[5])	109.4360	0.000	1	109.4360	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH){2|C<4>,5|H<1>}	H(OC[5])	109.2813	0.227	3	109.2813	0.052	3	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	H(OC[5])	109.4020	0.000	1	109.4020	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(OC[5])	103.6155	4.571	2	103.6155	20.898	2	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(OH){2|C<4>,2|O<2>,3|H<1>}	H(OC[5])	107.5370	0.000	1	107.5370	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)(OH){2|C<4>,5|H<1>}	H(OC[5])	118.9550	0.000	1	118.9550	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(OH){2|C<4>,5|H<1>}	H(OC[5])	109.5384	3.558	43	109.5384	12.659	43	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(OH){2|C<4>,5|H<1>}	H(OC[5])	110.1280	0.000	1	110.1280	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]O[5]H)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]O[5]H)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(OC[5])	109.4510	0.000	1	109.4510	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(OC[5])	109.4240	0.000	1	109.4365	0.000	2	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(OC[5])	109.4490	0.000	1	109.4365	0.000	2	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	H(OC[5])	106.8395	3.744	2	106.8395	14.019	2	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(OC[5])	108.2430	0.000	1	108.5305	1.312	11	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(OC[5])	108.5549	1.145	7	108.5305	1.312	11	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(OC[5])	108.5697	1.606	3	108.5305	1.312	11	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	H(OC[5])	109.4315	0.049	2	109.4315	0.002	2	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(OC[5])	109.4630	0.000	1	109.4630	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(OC[5])	109.4650	0.000	1	107.9011	25.173	8	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(OC[5])	107.6777	5.376	7	107.9011	25.173	8	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH){1|C<4>,2|O<2>,4|H<1>}	H(OC[5])	109.4540	0.000	1	109.4540	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH){1|C<3>,1|C<4>,3|H<1>}	H(OC[5])	109.4425	0.074	2	109.4425	0.006	2	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(OH){1|C<3>,2|C<4>,2|H<1>}	H(OC[5])	107.0950	0.000	1	107.0950	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(OC[5])	109.4890	0.000	1	109.4890	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(OC[5])	109.4915	0.023	2	108.1036	8.162	7	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(OC[5])	107.5484	3.301	5	108.1036	8.162	7	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(OH){2|C<4>,5|H<1>}	H(OC[5])	109.4550	0.000	1	109.4550	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH){1|O<2>,3|H<1>,4|C<4>}	H(OC[5])	109.4775	0.059	2	109.4775	0.003	2	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	H(OC[5])	109.4960	0.000	1	109.4960	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCHH)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCHH)(OH){1|O<1>,2|C<4>,4|H<1>}	H(OC[5])	109.5170	0.000	1	109.5170	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	H(OC[5])	109.4720	0.000	1	109.4720	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(OC[5])	109.4923	0.033	3	109.4923	0.001	3	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(CC3)(OH)	H(OC[5])	O(C[5]C[5,6]C[5]C)(H)	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(CC3)(OH){1|N<3>,2|C<3>,2|H<1>}	H(OC[5])	114.0470	0.000	1	114.0470	0.000	1	109.0590	9.778	114	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	H(OC[5])	107.7571	2.737	9	107.7571	7.493	9	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]CC)(CCHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]CC)(CCHO)(OH){2|C<4>,2|H<1>,2|O<2>}	H(OC[5])	109.2360	0.354	2	109.2360	0.125	2	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<4>,2|O<2>,3|H<1>}	H(OC[5])	109.4550	0.000	1	109.4550	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(OC[5])	109.5010	0.076	3	109.5010	0.006	3	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5,5]HH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5,5]HH)(OH){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	109.4665	0.038	4	109.4665	0.001	4	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5]HH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5]HH)(OH){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	109.4465	0.001	2	109.4465	0.000	2	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	103.0340	1.067	4	103.0340	1.138	4	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH){1|C<4>,1|H<1>,2|N<2>}	H(OC[5])	109.5050	0.000	1	109.4890	0.001	2	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH){1|C<4>,1|H<1>,2|N<3>}	H(OC[5])	109.4730	0.000	1	109.4890	0.001	2	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CH3)(OH){1|H<1>,3|C<3>}	H(OC[5])	109.4630	0.000	1	109.4630	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HH)2(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HH)2(CH3)(OH){2|C<4>,2|H<1>}	H(OC[5])	111.7332	3.976	4	111.7332	15.811	4	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH){1|C<4>,1|N<2>,1|O<1>}	H(OC[5])	109.4570	0.000	1	109.4570	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,5]HO)(C[5]O[5]HH)(CH3)(OH){1|C<4>,1|O<2>}	H(OC[5])	109.4720	0.000	1	109.4720	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]HO)(C[5]O[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6]HO)(C[5]O[5]HH)(CH3)(OH){1|C<4>,1|O<2>}	H(OC[5])	109.4860	0.000	1	109.4860	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH){4|C<3>}	H(OC[5])	109.4050	0.000	1	109.4050	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH){2|C<3>}	H(OC[5])	109.4930	0.000	1	109.4930	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH){2|C<3>}	H(OC[5])	109.3860	0.000	1	109.3860	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCCO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCCO)(OH){1|C<4>,2|O<2>,4|H<1>}	H(OC[5])	109.4460	0.000	1	109.4460	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	109.4720	0.000	1	107.7737	5.034	6	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[5])	106.9155	2.333	4	107.7737	5.034	6	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(OC[5])	109.5080	0.000	1	107.7737	5.034	6	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CClHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CClHH)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(OC[5])	113.6010	0.000	1	113.6010	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|H<1>,1|S<4>}	H(OC[5])	109.4960	0.000	1	109.4960	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OH){1|O<2>,3|H<1>}	H(OC[5])	109.1373	0.536	3	109.1373	0.287	3	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){1|O<2>,3|H<1>}	H(OC[5])	108.7467	1.667	8	108.4789	2.817	12	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){2|H<1>,2|O<2>}	H(OC[5])	107.9433	1.809	4	108.4789	2.817	12	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(OH){1|O<1>,2|H<1>}	H(OC[5])	109.5020	0.000	1	109.5020	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	H(OC[5])	109.4490	0.000	1	109.4490	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHO)(OH){1|C<4>,1|H<1>}	H(OC[5])	107.5575	1.278	2	107.5575	1.633	2	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>}	H(OC[5])	109.4970	0.000	1	109.4970	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){1|C<4>,3|H<1>}	H(OC[5])	110.3130	1.143	2	109.8995	0.663	4	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){2|C<4>,2|H<1>}	H(OC[5])	109.4810	0.000	1	109.8995	0.663	4	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	H(OC[5])	109.4910	0.000	1	109.8995	0.663	4	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	105.0860	6.142	2	105.0860	37.723	2	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	109.4790	0.000	1	109.4790	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|H<1>,1|O<1>}	H(OC[5])	119.7950	0.000	1	109.7299	7.512	17	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,3|H<1>}	H(OC[5])	109.4808	0.022	4	109.7299	7.512	17	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|H<1>}	H(OC[5])	110.4340	0.000	1	109.7299	7.512	17	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>}	H(OC[5])	109.4770	0.000	1	109.7299	7.512	17	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	H(OC[5])	108.9325	0.821	6	109.7299	7.512	17	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){2|C<3>,2|H<1>}	H(OC[5])	109.4590	0.000	1	109.7299	7.512	17	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){4|H<1>}	H(OC[5])	108.2417	1.444	3	109.7299	7.512	17	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHH)(OH){1|C<3>,2|H<1>}	H(OC[5])	120.9370	0.000	1	120.9370	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHO)(OH){1|H<1>,1|O<1>}	H(OC[5])	113.6150	0.000	1	113.6150	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH){1|C<3>,2|H<1>}	H(OC[5])	116.3030	0.000	1	112.9015	23.140	2	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH){1|H<1>,1|O<1>}	H(OC[5])	109.5000	0.000	1	112.9015	23.140	2	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(OH){1|H<1>,1|O<1>}	H(OC[5])	111.0305	2.474	2	111.0305	6.122	2	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC3)(OH){1|C<3>,2|H<1>}	H(OC[5])	107.8270	0.000	1	107.8270	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>}	H(OC[5])	108.0320	0.000	1	110.3973	8.640	3	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){1|S<4>,2|H<1>}	H(OC[5])	113.6880	0.000	1	110.3973	8.640	3	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){4|H<1>}	H(OC[5])	109.4720	0.000	1	110.3973	8.640	3	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCCH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCCH)(OH){4|H<1>}	H(OC[5])	106.7780	0.000	1	106.7780	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH){1|C<3>,2|H<1>}	H(OC[5])	115.0740	0.000	1	110.5622	6.369	5	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH){1|C<4>,3|H<1>}	H(OC[5])	109.2890	0.000	1	110.5622	6.369	5	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CH)2(CCHH)(OH){4|H<1>}	H(OC[5])	109.4827	0.030	3	110.5622	6.369	5	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	H(OC[5])	109.4890	0.000	1	109.4890	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CH)(OH){1|O<1>,2|C<4>}	H(OC[5])	109.4700	0.000	1	109.4700	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]ClH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]ClH)(OH){4|H<1>}	H(OC[5])	109.5080	0.000	1	109.5080	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	H(OC[5])	110.8520	0.000	1	110.8520	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	H(OC[5])	112.1880	0.000	1	112.1880	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	H(OC[5])	109.4790	0.000	1	109.4555	0.001	2	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	H(OC[5])	109.4320	0.000	1	109.4555	0.001	2	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[5])	108.6113	1.513	3	108.6113	2.290	3	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OH){1|H<1>,1|O<1>}	H(OC[5])	109.4340	0.000	1	109.4340	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[4]CO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CC[4]CO)(OH){1|O<1>}	H(OC[5])	109.4300	0.000	1	109.4300	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH){2|H<1>,2|O<2>}	H(OC[5])	110.1600	0.000	1	110.1600	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(OH){1|C<3>,2|H<1>}	H(OC[5])	109.4650	0.000	1	109.4650	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CCHH)(OH){1|H<1>,1|N<3>}	H(OC[5])	119.9050	0.000	1	119.9050	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	H(OC[5])	106.1185	4.562	2	107.2003	13.915	3	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){2|C<4>}	H(OC[5])	109.3640	0.000	1	107.2003	13.915	3	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[5])	105.6540	0.000	1	109.5178	20.030	4	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|O<1>,1|O<2>,2|C<4>}	H(OC[5])	110.8057	4.483	3	109.5178	20.030	4	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(OC[5])	109.4700	0.000	1	109.4700	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(OH){2|H<1>,3|C<3>}	H(OC[5])	122.3420	0.000	1	122.3420	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]N[5a]Se[5]H)(C[5]C[5]HO)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]N[5a]Se[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.4700	0.000	2	109.4700	0.000	2	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.5030	1.679	3	109.5030	2.818	3	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(CH3)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	106.0970	0.000	1	106.0970	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]2C)(H)	C[5](C[5]S[5]HH)2(CCHH)(OH)	H(OC[5])	O(C[5]C[5]2C)(H)	C[5](C[5]S[5]HH)2(CCHH)(OH)	H(OC[5])	105.8490	0.000	1	105.8490	0.000	1	109.3502	9.681	138	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[5]3)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]2H)(OH)	H(OC[5])	O(C[5]C[5]3)(H)	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(C[5]O[5]2H)(OH){4|H<1>,5|C<4>}	H(OC[5])	109.4390	0.000	1	109.4390	0.000	1	109.4635	0.001	2	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[5]3)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)2(OH)	H(OC[5])	O(C[5]C[5]3)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)2(OH){1|C<4>,3|C<3>,5|H<1>}	H(OC[5])	109.4880	0.000	1	109.4880	0.000	1	109.4635	0.001	2	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[5]-4:P[5]-4:C-4:O-2:	O-2:	O(C[5]C[5]P[5]C)(H)	C[5](C[5]C[5,6]HH)(P[5]C[5,6]OO)(CH3)(OH)	H(OC[5])	O(C[5]C[5]P[5]C)(H)	C[5](C[5]C[5,6]HH)(P[5]C[5,6]OO)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	H(OC[5])	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[6,6]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[6,6]C[5]2)(H)	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[6,6]C[5]2)(H)	C[5](C[6,6]C[6,6]2C)(C[5]C[5]CH)(C[5]C[5]HH)(OH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(OC[5])	109.4670	0.010	2	109.4670	0.000	2	109.4670	0.000	2	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	4:4:4:2:	2:	C[5]-4:H-1:	C[6]-4:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[5]2C[6])(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH)	H(OC[5])	O(C[5]C[5]2C[6])(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HO)(C[5]O[5]HO)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[5])	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	109.2626	8.530	318	109.0366	9.709	2857	108.9912	10.377	3916
893	474	951	0:SP3_SP-NON_SP3	O	C[5]	H	4:1:	6:4:4:2:	2:	C[5]-4:H-1:	C[5x3,5x5,20x6]-6:C[5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[5x3,5x5,20x6]C[5]2)(H)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]HH)2(OH)	H(OC[5])	O(C[5]C[5x3,5x5,20x6]C[5]2)(H)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]HH)2(OH){2|C<3>,5|B<6>,5|H<1>}	H(OC[5])	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	109.0366	9.709	2857	108.9912	10.377	3916