466	856	956	0:SP3_SP2_SP2	C[6]	N[6,6]	N	3:3:3:1:	4:3:4:	4:3:1:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	112.3080	0.000	1	112.3080	0.000	1	112.3080	0.000	1	112.3080	0.000	1	112.3080	0.000	1	111.1969	3.768	9
466	856	956	0:SP3_SP2_SP2	C[6]	N[6]	N	3:3:3:1:	3:4:2:	4:3:1:	N[6]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:C-3:H-1:	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])	N(C[6]C[6]N[6]H)(COO)(H)	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	N(C[6]C[6]N[6]H)(COO)(H)	114.4490	0.000	1	114.4490	0.000	1	114.4490	0.000	1	114.4490	0.000	1	111.0580	4.108	8	111.1969	3.768	9
466	856	956	0:SP3_SP2_SP2	C[6]	N[6]	N	3:3:3:1:	3:4:3:	4:3:1:	N[6]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:C-3:H-1:	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(NCH)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HN)(N[6]C[6]C)	N(C[6]C[6]N[6]H)(COO)(H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HN)(N[6]C[6]C){3|C<3>,4|H<1>}	N(C[6]C[6]N[6]H)(COO)(H)	109.8360	0.000	1	109.8360	0.000	1	109.8360	0.000	1	109.8360	0.000	1	111.0580	4.108	8	111.1969	3.768	9
466	856	956	0:SP3_SP2_SP2	C[6]	N[6]	N	3:3:3:1:	4:2:3:	4:3:2:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:C-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H)	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC)	N(C[6]C[6,6a]N[6]H)(COO)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC){1|H<1>,2|C<3>}	N(C[6]C[6,6a]N[6]H)(COO)(NC)	109.1450	0.000	1	109.1450	0.000	1	109.1450	0.000	1	109.1450	0.000	1	111.0580	4.108	8	111.1969	3.768	9
466	856	956	0:SP3_SP2_SP2	C[6]	N[6]	N	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H)	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2)	N(C[6]C[6,6a]N[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N(C[6]C[6,6a]N[6]H)(CCO)(H)	111.8030	0.000	1	111.8030	0.000	1	112.4805	0.918	2	112.4805	0.918	2	111.0580	4.108	8	111.1969	3.768	9
466	856	956	0:SP3_SP2_SP2	C[6]	N[6]	N	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H)	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2)	N(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)	113.1580	0.000	1	113.1580	0.000	1	112.4805	0.918	2	112.4805	0.918	2	111.0580	4.108	8	111.1969	3.768	9
466	856	956	0:SP3_SP2_SP2	C[6]	N[6]	N	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H)	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH)	N(C[6]C[6]N[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]N[6]H)(CCO)(H)	109.3195	0.977	2	109.3195	0.954	2	109.3195	0.954	2	109.3195	0.954	2	111.0580	4.108	8	111.1969	3.768	9
466	856	956	0:SP3_SP2_SP2	C[6]	N[6]	N	4:3:3:3:	4:2:3:	4:3:1:	C[6]-4:N[6]-3:C-3:N-3:	C[6]-4:N[6]-2:C-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH)	N[6](C[6]C[6]CN)(N[6]C[6])(CNO)	N(C[6]C[6]N[6]C)(CCO)(H)	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH){1|H<1>,2|C<3>}	N[6](C[6]C[6]CN)(N[6]C[6])(CNO){2|C<4>,2|H<1>}	N(C[6]C[6]N[6]C)(CCO)(H)	111.4340	0.000	1	111.4340	0.000	1	111.4340	0.000	1	111.4340	0.000	1	111.0580	4.108	8	111.1969	3.768	9
466	856	956	0:SP3_SP2_SP3	C[6]	N[6,6]	N	3:3:3:1:	3:4:4:	4:4:1:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN)	N(C[6]C[6,6a]N[6,6]H)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H){1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN){2|C<4>,4|C<3>}	N(C[6]C[6,6a]N[6,6]H)(SC[6a]OO)(H)	112.3030	0.000	1	112.3030	0.000	1	112.3030	0.000	1	112.3030	0.000	1	112.3115	0.000	2	111.8258	5.724	14
466	856	956	0:SP3_SP2_SP3	C[6]	N[6,6]	N	3:3:3:1:	4:3:4:	4:3:1:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	112.3200	0.000	1	112.3200	0.000	1	112.3200	0.000	1	112.3200	0.000	1	112.3115	0.000	2	111.8258	5.724	14
466	856	956	0:SP3_SP2_SP3	C[6]	N[6]	N	3:3:3:1:	3:4:2:	4:3:1:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(NHN)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HN)(N[6]C[6])	N(C[6]C[6,6a]N[6]H)(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(NHN)(H){1|H<1>,1|N<2>,4|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HN)(N[6]C[6]){2|H<1>,4|C<3>}	N(C[6]C[6,6a]N[6]H)(NC[6a]H)(H)	114.5730	0.000	1	114.5730	0.000	1	114.5730	0.000	1	114.5730	0.000	1	111.7448	6.715	12	111.8258	5.724	14
466	856	956	0:SP3_SP2_SP3	C[6]	N[6]	N	3:3:3:1:	3:4:3:	4:1:1:	N[6]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:H-1:H-1:	C[6](N[6]C[6a]C[6])2(NHH)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O)	N(C[6]N[6]2H)(H)2	C[6](N[6]C[6a]C[6])2(NHH)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O){4|C<3>,4|C<4>}	N(C[6]N[6]2H)(H)2	114.1745	4.519	2	114.1745	20.422	2	114.1745	20.422	2	114.1745	20.422	2	111.7448	6.715	12	111.8258	5.724	14
466	856	956	0:SP3_SP2_SP3	C[6]	N[6]	N	3:3:3:1:	4:3:1:	4:3:1:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H)	N[6](C[6]C[6,6a]HN)(C[6]O[6]O)(H)	N(C[6]C[6,6a]N[6]H)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]HN)(C[6]O[6]O)(H){2|C<3>}	N(C[6]C[6,6a]N[6]H)(CNO)(H)	112.4550	0.000	1	112.4550	0.000	1	112.4550	0.000	1	112.4550	0.000	1	111.7448	6.715	12	111.8258	5.724	14
466	856	956	0:SP3_SP2_SP3	C[6]	N[6]	N	3:3:3:1:	4:4:3:	4:3:2:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H)	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC)	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC){2|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	111.7448	6.715	12	111.8258	5.724	14
466	856	956	0:SP3_SP2_SP3	C[6]	N[6]	N	3:3:3:1:	4:4:3:	4:3:4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6a]-3:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H)	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC)	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC){2|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(SC[6a]OO)	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	111.7448	6.715	12	111.8258	5.724	14
466	856	956	0:SP3_SP2_SP3	C[6]	N[6]	N	3:3:3:1:	4:4:4:	4:4:3:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:S-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H)	N[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(SC[6a]OO)	N(C[6]C[6,6a]N[6]H)(SC[6a]OO)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H){1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(SC[6a]OO){2|C<3>}	N(C[6]C[6,6a]N[6]H)(SC[6a]OO)(CCH)	113.7350	0.000	1	113.7350	0.000	1	113.7350	0.000	1	113.7350	0.000	1	111.7448	6.715	12	111.8258	5.724	14
466	856	956	0:SP3_SP2_SP3	C[6]	N[6]	N	3:3:3:3:	3:4:3:	4:3:1:	N[6]-3:C[6]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]N)(COO)	N(C[6]C[6a]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH){2|H<1>,5|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]N)(COO){2|H<1>,5|C<3>}	N(C[6]C[6a]C[6]N[6])(COO)(H)	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	111.7448	6.715	12	111.8258	5.724	14
466	856	956	0:SP3_SP2_SP3	C[6]	N[6]	N	3:3:3:3:	4:3:4:	4:1:1:	C[6]-3:C[6a]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)(NHH)	N[6](C[6]C[6a]C[6]N)(C[6]C[6,6a]O)(CC[6a]HH)	N(C[6]C[6a]C[6]N[6])(H)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)(NHH){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]N)(C[6]C[6,6a]O)(CC[6a]HH){1|O<1>,4|C<3>}	N(C[6]C[6a]C[6]N[6])(H)2	108.6690	0.107	2	108.6690	0.012	2	108.6690	0.012	2	108.6690	0.012	2	111.7448	6.715	12	111.8258	5.724	14
466	856	956	0:SP3_SP2_SP3	C[6]	N[6]	N	3:4:3:1:	4:4:3:	4:4:1:	N[6]-3:C[6]-4:N-3:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C-4:H-1:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O)	N(C[6]C[6]N[6]H)(CC[5]HH)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N(C[6]C[6]N[6]H)(CC[5]HH)(H)	110.2080	0.000	1	110.2080	0.000	1	110.2080	0.000	1	110.2080	0.000	1	111.7448	6.715	12	111.8258	5.724	14
466	856	956	0:SP3_SP2_SP3	C[6]	N[6]	N	4:3:3:1:	4:4:4:	4:4:1:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO)	N(C[6]C[6]N[6]H)(SO3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO){1|C<4>,4|H<1>}	N(C[6]C[6]N[6]H)(SO3)(H)	111.3380	0.000	1	111.3380	0.000	1	111.3380	0.000	1	111.3380	0.000	1	111.7448	6.715	12	111.8258	5.724	14
466	856	956	0:SP3_SP3_SP3	C[6]	N[6]	N	3:3:3:1:	4:3:4:	4:3:3:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H)	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(NC[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(NC[6a]C)	114.6220	0.000	1	114.6220	0.000	1	114.6220	0.000	1	114.6220	0.000	1	113.3840	3.594	4	113.3840	3.594	4
466	856	956	0:SP3_SP3_SP3	C[6]	N[6]	N	4:3:3:1:	3:4:4:	4:4:1:	C[6]-4:N[6]-3:N-3:H-1:	S[6]-3:C[6]-4:S-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6a]Cl2)(N[6]S[6]S)(NHS)(H)	N[6](S[6]C[6,6a]N)(C[6]C[6]HN)(SC[6a]OO)	N(C[6]C[6]N[6]H)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]Cl2)(N[6]S[6]S)(NHS)(H){1|N<2>,2|C<3>}	N[6](S[6]C[6,6a]N)(C[6]C[6]HN)(SC[6a]OO){2|Cl<1>,2|C<3>}	N(C[6]C[6]N[6]H)(SC[6a]OO)(H)	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	112.4430	0.000	1	113.3840	3.594	4	113.3840	3.594	4
466	856	956	0:SP3_SP3_SP3	C[6]	N[6]	N	4:3:3:1:	4:4:4:	4:3:2:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:O-2:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH)	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH){1|C<4>,4|H<1>}	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	115.2750	0.000	1	115.2750	0.000	1	115.2750	0.000	1	115.2750	0.000	1	113.3840	3.594	4	113.3840	3.594	4
466	856	956	0:SP3_SP3_SP3	C[6]	N[6]	N	4:3:3:1:	4:4:4:	4:4:1:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO)	N(C[6]C[6]N[6]H)(SO3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO){1|C<4>,4|H<1>}	N(C[6]C[6]N[6]H)(SO3)(H)	111.1960	0.000	1	111.1960	0.000	1	111.1960	0.000	1	111.1960	0.000	1	113.3840	3.594	4	113.3840	3.594	4
466	856	983	0:SP3_SP1_SP2	C[6]	N[6,6]	C	3:4:2:2:	4:4:3:	4:1:	N[6,6]-3:C[6]-4:C-2:C-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:N-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C(C[6]N[6,6]C[6]C)(N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2{1|O<2>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	C(C[6]N[6,6]C[6]C)(N)	108.7610	0.257	2	108.7610	0.066	2	108.7610	0.066	2	108.7610	0.066	2	108.7610	0.066	2	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:2:1:	3:4:3:	4:1:	N[6]-3:C[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CN)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CN[5]O)	C(C[6]C[6]N[6]H)(N)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CN)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CN[5]O){2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(N)	109.9885	1.237	2	109.9885	1.530	2	109.9885	1.530	2	109.9885	1.530	2	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:2:1:	3:4:3:	4:2:	N[6]-3:C[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C-2:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C(C[6]C[6]N[6]H)(CC[6a])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(CC[6a])	111.3420	0.000	1	111.3420	0.000	1	111.8967	0.699	4	111.8967	0.699	4	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:2:1:	3:4:3:	4:2:	N[6]-3:C[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C-2:	C[6](N[6]C[6,6a]C)(C[6]C[6]O)(CC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C(C[6]C[6]N[6]H)(CC)	C[6](N[6]C[6,6a]C)(C[6]C[6]O)(CC)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CC)	112.0817	0.919	3	112.0817	0.844	3	111.8967	0.699	4	111.8967	0.699	4	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:2:1:	4:3:3:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(N)	108.8710	0.000	1	108.8710	0.000	1	108.8710	0.000	1	108.8710	0.000	1	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:2:1:	4:3:3:	4:2:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C(C[6]C[6,6a]N[6]H)(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C(C[6]C[6,6a]N[6]H)(CC[6a])	111.4175	0.371	2	111.4175	0.138	2	111.4175	0.138	2	111.4175	0.138	2	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:2:1:	4:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|I<1>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(N)	110.2500	0.000	1	110.6427	0.212	3	110.6427	0.212	3	110.4770	0.251	4	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:2:1:	4:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C(C[6]C[6,6a]N[6]H)(N)	110.8390	0.438	2	110.6427	0.212	3	110.6427	0.212	3	110.4770	0.251	4	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:2:1:	4:3:4:	4:1:	C[6]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C(C[6]C[6]N[6]H)(N)	C[6](C[6]N[6]O)(N[6]C[6]C)(CN)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(N)	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	110.4770	0.251	4	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:2:1:	4:4:3:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6]H)(N)	110.5675	0.395	2	110.5675	0.156	2	110.7387	0.166	3	110.8690	0.179	4	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:2:1:	4:4:3:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6]H)(N)	111.0810	0.000	1	111.0810	0.000	1	110.7387	0.166	3	110.8690	0.179	4	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:2:1:	4:4:3:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	Si[6]-4:C[6]-4:C[6a]-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H)	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H){1|H<1>,2|O<2>,5|C<3>}	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	C(C[6]C[6,6a]N[6]H)(N)	111.2600	0.000	1	111.2600	0.000	1	111.2600	0.000	1	110.8690	0.179	4	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:2:2:	3:4:3:	4:1:	C[5a,6]-3:N[6]-3:C-2:S-2:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:N-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[5a]C[6])(CN)(SS)	N[6](C[5a]C[5a]N[5a])(C[6]C[5a,6]CS)(C[6]N[6]C)	C(C[6]C[5a,6]N[6]S)(N)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[5a]C[6])(CN)(SS){1|C<2>,1|C<3>,1|C<4>,2|N<2>,2|N<3>}	N[6](C[5a]C[5a]N[5a])(C[6]C[5a,6]CS)(C[6]N[6]C){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C(C[6]C[5a,6]N[6]S)(N)	107.7710	0.000	1	107.7710	0.000	1	107.7710	0.000	1	107.7710	0.000	1	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:3:2:	4:3:3:	4:2:	C[6,6a]-3:C[6a]-3:N[6]-3:C-2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO)	C(C[6]C[6,6a]C[6a]N[6])(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC){4|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(CC[6a])	110.4080	0.000	1	110.4080	0.000	1	110.4080	0.000	1	110.4080	0.000	1	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:4:2:	4:3:3:	4:1:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-4:C[6]-3:C-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN)	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6,6a]N[6]C)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C(C[6]C[6,6a]N[6]C)(N)	110.7100	0.000	1	110.7100	0.000	1	110.7100	0.000	1	110.7100	0.000	1	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:4:2:	4:4:3:	4:1:	C[5a,6]-3:N[6]-3:C-4:C-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C(C[6]C[5a,6]N[6]C)(N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]N[6]C)(N)	107.5695	0.839	2	107.5695	0.704	2	107.5695	0.704	2	107.5857	0.944	6	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:4:2:	4:4:3:	4:1:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO)	C(C[6]C[6,6a]N[6]C)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6]C)(N)	106.7205	0.220	2	106.7205	0.048	2	107.5938	1.338	4	107.5857	0.944	6	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	3:3:4:2:	4:4:3:	4:1:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO)	C(C[6]C[6,6a]N[6]C)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6]C)(N)	108.4670	0.957	2	108.4670	0.917	2	107.5938	1.338	4	107.5857	0.944	6	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	4:3:2:1:	3:4:3:	4:1:	C[3,6]-4:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N-1:	C[6](C[3,6]C[3,6]N[3]H)(N[6]C[6,6a]C)(CN)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(CC[6a]O)	C(C[6]C[3,6]N[6]H)(N)	C[6](C[3,6]C[3,6]N[3]H)(N[6]C[6,6a]C)(CN)(H){1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[3,6]N[6]H)(N)	110.9910	0.000	1	110.9910	0.000	1	110.9910	0.000	1	110.9910	0.000	1	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	4:3:2:1:	4:3:3:	4:2:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6]H)(CC[6a])	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(CC[6a])	110.1020	0.000	1	110.1020	0.000	1	110.8167	1.036	3	110.8167	1.036	3	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	4:3:2:1:	4:3:3:	4:2:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C(C[6]C[6]N[6]H)(CC[6a])	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(CC[6a])	110.3660	0.000	1	110.3660	0.000	1	110.8167	1.036	3	110.8167	1.036	3	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	4:3:2:1:	4:3:3:	4:2:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C-2:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C(C[6]C[6]N[6]H)(CC[6a])	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(CC[6a])	111.9820	0.000	1	111.9820	0.000	1	110.8167	1.036	3	110.8167	1.036	3	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	4:3:2:1:	4:4:3:	4:1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C(C[6]C[6]N[6]H)(N)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C(C[6]C[6]N[6]H)(N)	108.9550	0.000	1	109.4895	0.571	2	109.4895	0.571	2	109.4895	0.571	2	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	4:3:2:1:	4:4:3:	4:1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C(C[6]C[6]N[6]H)(N)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|W<7>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(N)	110.0240	0.000	1	109.4895	0.571	2	109.4895	0.571	2	109.4895	0.571	2	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	4:3:3:2:	4:4:3:	4:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(N)	112.8470	0.000	1	112.8470	0.000	1	111.4260	4.038	2	111.4260	4.038	2	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP2	C[6]	N[6]	C	4:3:3:2:	4:4:3:	4:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(N)	110.0050	0.000	1	110.0050	0.000	1	111.4260	4.038	2	111.4260	4.038	2	110.1273	2.658	34	110.0514	2.608	36
466	856	983	0:SP3_SP1_SP3	C[6,6]	N[6]	C	4:4:3:2:	4:4:4:	4:1:	C[3x6]-4:C[6,6]-4:N[6]-3:C-2:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[6]C[6]2)(CN)	N[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)2	C(C[6,6]C[3x6]C[6,6]N[6])(N)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(N[6]C[6]2)(CN){2|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)2{2|C<3>,2|C<4>,7|H<1>}	C(C[6,6]C[3x6]C[6,6]N[6])(N)	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	110.2475	0.036	2	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6,6]	N[6]	C	4:4:3:2:	4:4:4:	4:2:	C[6,6]-4:C[6]-4:N[6]-3:C-2:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:C-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(CC)	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CC[6a]HH)	C(C[6,6]C[6,6]C[6]N[6])(CH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(CC){4|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CC[6a]HH){3|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(CH)	110.3810	0.000	1	110.3810	0.000	1	110.3810	0.000	1	110.3810	0.000	1	110.2475	0.036	2	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6,6]	C	3:4:2:1:	3:4:3:	4:1:	N[6,6]-3:C[6]-4:C-2:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:N-1:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O)	C(C[6]N[6,6]C[6]H)(N)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6]N[6,6]C[6]H)(N)	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	111.0465	13.699	11	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6,6]	C	3:4:2:1:	4:4:3:	4:1:	N[6,6]-3:C[6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:	C[6]-4:N-1:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H)	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C)	C(C[6]N[6,6]C[6]H)(N)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H){1|O<2>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C){3|C<4>,5|H<1>}	C(C[6]N[6,6]C[6]H)(N)	114.9407	5.225	3	114.9407	27.304	3	114.9407	27.304	3	114.9407	27.304	3	111.0465	13.699	11	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6,6]	C	3:4:2:2:	4:4:2:	4:1:	N[6,6]-3:C[6]-4:C-2:C-2:	C[6,6]-4:C[6]-4:N[6]-2:	C[6]-4:N-1:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(CN)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(N[6]C[6])	C(C[6]N[6,6]C[6]C)(N)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(CN)2{1|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(N[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C(C[6]N[6,6]C[6]C)(N)	108.1520	0.989	2	108.1520	0.977	2	108.1520	0.977	2	108.1520	0.977	2	111.0465	13.699	11	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6,6]	C	3:4:2:2:	4:4:3:	4:1:	N[6,6]-3:C[6]-4:C-2:C-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:N-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C(C[6]N[6,6]C[6]C)(N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2{1|O<2>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	C(C[6]N[6,6]C[6]C)(N)	108.6100	0.547	2	108.6100	0.300	2	108.6100	0.300	2	108.6100	0.300	2	111.0465	13.699	11	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6,6]	C	3:4:4:2:	4:4:4:	4:1:	N[6,6]-3:C[6]-4:C-4:C-2:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:N-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CC)	C(C[6]N[6,6]C[6]C)(N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN){3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CC){4|C<4>,6|H<1>}	C(C[6]N[6,6]C[6]C)(N)	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	111.0465	13.699	11	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6,6]	C	4:3:2:1:	4:4:4:	4:1:	C[3,6]-4:N[6,6]-3:C-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:N-1:	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)	C(C[6]C[3,6]N[6,6]H)(N)	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H){1|N<3>,4|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	C(C[6]C[3,6]N[6,6]H)(N)	111.9725	0.097	2	111.9725	0.009	2	111.9725	0.009	2	111.9725	0.009	2	111.0465	13.699	11	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	3:3:2:1:	3:4:4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(N)	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	110.2550	0.000	1	110.7726	3.819	18	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	3:3:2:1:	4:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C(C[6]C[6,6a]N[6]H)(N)	110.6100	0.264	2	110.6100	0.070	2	110.6100	0.070	2	110.6100	0.070	2	110.7726	3.819	18	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	3:3:2:1:	4:4:1:	4:2:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CC)(H)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	C(C[6]C[6,6a]N[6]H)(CC[6a])	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	110.7726	3.819	18	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	3:3:2:1:	4:4:4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6]H)(N)	111.8840	0.082	2	111.8840	0.007	2	111.8840	0.007	2	111.8840	0.007	2	110.7726	3.819	18	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	3:4:2:1:	3:4:1:	4:1:	N[6]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](N[6]C[6,6a]H)(C[6]S[6]CC)(CN)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(N)	C[6](N[6]C[6,6a]H)(C[6]S[6]CC)(CN)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(N)	111.7250	0.000	1	111.7250	0.000	1	111.7250	0.000	1	111.7250	0.000	1	110.7726	3.819	18	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	4:3:2:1:	4:4:2:	4:1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:N-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	C(C[6]C[6]N[6]H)(N)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H){1|C<4>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(N)	111.9620	0.000	1	111.9620	0.000	1	111.9620	0.000	1	111.9620	0.000	1	110.7726	3.819	18	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	4:3:2:1:	4:4:4:	4:1:	C[5,6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6]C[5,6]N[6]H)(N)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[5,6]N[6]H)(N)	111.2870	0.000	1	111.2870	0.000	1	112.0125	1.053	2	112.3597	0.888	3	110.7726	3.819	18	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	4:3:2:1:	4:4:4:	4:1:	C[5,6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6]C[5,6]N[6]H)(N)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]N[6]H)(N)	112.7380	0.000	1	112.7380	0.000	1	112.0125	1.053	2	112.3597	0.888	3	110.7726	3.819	18	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	4:3:2:1:	4:4:4:	4:1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6]C[6]N[6]H)(N)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H){1|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(N)	113.0540	0.000	1	113.0540	0.000	1	113.0540	0.000	1	112.3597	0.888	3	110.7726	3.819	18	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	4:3:3:2:	4:4:3:	4:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(N)	112.3100	0.000	1	112.3100	0.000	1	108.5817	10.434	3	108.5817	10.434	3	110.7726	3.819	18	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	4:3:3:2:	4:4:3:	4:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){1|C<4>,4|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(N)	106.7175	0.131	2	106.7175	0.017	2	108.5817	10.434	3	108.5817	10.434	3	110.7726	3.819	18	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	4:3:3:2:	4:4:4:	4:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN){1|N<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(N)	110.7450	0.000	1	110.7450	0.000	1	110.7450	0.000	1	110.7450	0.000	1	110.7726	3.819	18	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	4:3:4:2:	4:4:4:	4:1:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH)	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN){1|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(N)	113.5600	0.000	1	113.5600	0.000	1	110.8427	5.769	3	110.8427	5.769	3	110.7726	3.819	18	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	4:3:4:2:	4:4:4:	4:1:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,3|H<1>}	C(C[6]C[6]N[6]C)(N)	109.9650	0.000	1	109.4840	0.463	2	110.8427	5.769	3	110.8427	5.769	3	110.7726	3.819	18	110.8359	6.774	31
466	856	983	0:SP3_SP1_SP3	C[6]	N[6]	C	4:3:4:2:	4:4:4:	4:1:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(N)	109.0030	0.000	1	109.4840	0.463	2	110.8427	5.769	3	110.8427	5.769	3	110.7726	3.819	18	110.8359	6.774	31
466	856	992	0:SP3_SP2_SP3	C[6,6]	N[6,6]	P	3:3:4:4:	4:4:3:	4:2:2:1:	C[6,6a]-3:N[6,6]-3:C[6]-4:P-4:	C[6,6]-4:S[6]-4:C[6]-3:	C[6,6]-4:O-2:O-2:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3)	N[6,6](C[6,6]C[6,6a]C[6]P)(S[6]O[6]OO)(C[6]C[6]O)	P(C[6,6]C[6,6a]N[6,6]C[6])(OC)2(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3){1|H<1>,1|O<2>,3|O<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]P)(S[6]O[6]OO)(C[6]C[6]O){3|C<3>,3|H<1>}	P(C[6,6]C[6,6a]N[6,6]C[6])(OC)2(O)	107.9300	0.000	1	107.9300	0.000	1	107.9300	0.000	1	107.9300	0.000	1	107.9300	0.000	1	109.5520	7.363	5
466	856	992	0:SP3_SP2_SP3	C[6]	N[6]	P	3:3:4:4:	4:3:1:	4:2:2:1:	C[6,6a]-3:N[6]-3:C-4:P-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3)	N[6](C[6]C[6,6a]CP)(C[6]N[6]O)(H)	P(C[6]C[6,6a]N[6]C)(OC)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]CP)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	P(C[6]C[6,6a]N[6]C)(OC)2(O)	105.5740	0.000	1	105.5740	0.000	1	105.5740	0.000	1	105.5740	0.000	1	109.9575	8.721	4	109.5520	7.363	5
466	856	992	0:SP3_SP2_SP3	C[6]	N[6]	P	3:4:4:1:	3:4:1:	4:3:3:1:	N[6]-3:C[6]-4:P-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(PC[6a]2O)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HP)(H)	P(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(PC[6a]2O)(H){1|H<1>,1|P<4>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HP)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	P(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(O)	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	109.9575	8.721	4	109.5520	7.363	5
466	856	992	0:SP3_SP2_SP3	C[6]	N[6]	P	4:3:4:1:	4:3:4:	4:2:2:1:	C[6]-4:N[6]-3:P-4:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(PO3)(H)	N[6](C[6]C[6]HP)(C[6]N[6]O)(SC[6a]OO)	P(C[6]C[6]N[6]H)(OC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]S)(PO3)(H){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6]HP)(C[6]N[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	P(C[6]C[6]N[6]H)(OC)2(O)	111.2010	0.000	1	111.2010	0.000	1	111.2010	0.000	1	111.2010	0.000	1	109.9575	8.721	4	109.5520	7.363	5
466	856	992	0:SP3_SP2_SP3	C[6]	N[6]	P	4:3:4:1:	4:4:3:	4:2:2:1:	C[6]-4:N[6]-3:P-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO)	P(C[6]C[6]N[6]H)(OC)2(O)	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO){2|C<4>,3|H<1>}	P(C[6]C[6]N[6]H)(OC)2(O)	112.0130	0.000	1	112.0130	0.000	1	112.0130	0.000	1	112.0130	0.000	1	109.9575	8.721	4	109.5520	7.363	5
466	856	992	0:SP3_SP3_SP3	C[6]	N[6]	P	3:3:4:1:	3:4:4:	4:2:2:1:	N[6]-3:C[6]-3:P-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:O-2:O-2:O-1:	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(PO3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH)	P(C[6]C[6]N[6]H)(OC)2(O)	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(PO3)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	P(C[6]C[6]N[6]H)(OC)2(O)	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	113.9570	0.000	1	110.9690	17.856	2	110.9690	17.856	2
466	856	992	0:SP3_SP3_SP3	C[6]	N[6]	P	3:3:4:1:	4:3:3:	4:2:2:1:	C[6,6a]-3:N[6]-3:P-4:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:O-2:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H)	N[6](C[6]C[6,6a]HP)(C[6]C[6a]N[6])(C[6a]C[6a]2)	P(C[6]C[6,6a]N[6]H)(OC)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6]C[6,6a]HP)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	P(C[6]C[6,6a]N[6]H)(OC)2(O)	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	110.9690	17.856	2	110.9690	17.856	2
466	857	951	0:SP3_SP-NON_SP2	C[3x6]	Ge[4,6,6]	H	3:3:4:1:	4:4:3:	4:	Ge[4,6,6]-3:C[3x6]-3:P[6,6]-4:H-1:	C[4,6,6]-4:C[3x6]-4:N[4]-3:	C[3x6]-4:	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H)	Ge[4,6,6](C[4,6,6]Ge[3x6]C[6a]P[4])(C[3x6]C[3x6]P[6,6]H)(N[4]P[4]Si)	H(C[3x6]Ge[4,6,6]C[3x6]P[6,6])	C[3x6](Ge[4,6,6]C[4,6,6]N[4])(C[3x6]N[3x6]C[6])(P[6,6]N[6,6]CC)(H){1|Ge<3>,2|Si<4>,1|H<1>,1|P<4>,3|C<3>}	Ge[4,6,6](C[4,6,6]Ge[3x6]C[6a]P[4])(C[3x6]C[3x6]P[6,6]H)(N[4]P[4]Si){1|N<2>,2|C<3>,2|N<3>,4|C<4>}	H(C[3x6]Ge[4,6,6]C[3x6]P[6,6])	106.3240	0.000	1	106.3240	0.000	1	106.3240	0.000	1	106.3240	0.000	1	106.3240	0.000	1	106.3240	0.000	1
466	863	893	0:SP3_SP2_SP3	C[6]	O	O	4:4:2:1:	4:	4:4:	C[6]-4:C[6]-4:O-2:O-1:	C[6]-4:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O)	O(C[6]C[6]2O)	O(C[6]C[6]2O)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(O){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2O)	O(C[6]C[6]2O)(SiC3)	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1
466	863	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:O-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)(O)	O(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2C)2(H)(O){2|O<1>,3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2O)	108.1495	0.301	2	108.1495	0.090	2	108.1495	0.090	2	108.1495	0.090	2	108.1495	0.090	2	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)(O)	O(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)(O){1|C<3>,2|H<1>}	O(C[6]C[6]2H)	H(C[6]C[6]2O)	72.4555	0.000	1	72.4555	0.000	1	72.4555	0.000	1	72.4555	0.000	1	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)(O)	O(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)(O){1|H<1>,1|O<2>,1|S<4>,3|C<3>,3|C<4>}	O(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]O)	108.4530	0.000	1	108.4530	0.000	1	108.4530	0.000	1	104.6058	86.559	8	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O)	O(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]O)	103.2660	0.000	1	103.2660	0.000	1	103.2660	0.000	1	104.6058	86.559	8	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O)	O(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]O)	107.0840	0.274	2	107.0840	0.075	2	104.1879	117.654	6	104.6058	86.559	8	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O)	O(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]O)	82.2156	0.000	1	82.2156	0.000	1	104.1879	117.654	6	104.6058	86.559	8	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O)	O(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	O(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]O)	110.5310	0.000	1	110.5310	0.000	1	104.1879	117.654	6	104.6058	86.559	8	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	O(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|H<1>,1|S<4>,4|C<3>}	O(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]O)	109.0150	0.000	1	109.1065	0.017	2	104.1879	117.654	6	104.6058	86.559	8	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	O(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|S<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]O)	109.1980	0.000	1	109.1065	0.017	2	104.1879	117.654	6	104.6058	86.559	8	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)(O)	O(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)(O){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)	H(C[6]C[6]2O)	110.3550	0.000	1	110.3550	0.000	1	109.3650	1.960	2	109.3650	1.960	2	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)(O)	O(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)(O){1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)	H(C[6]C[6]2O)	108.3750	0.000	1	108.3750	0.000	1	109.3650	1.960	2	109.3650	1.960	2	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)(O)	O(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(H)(O){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]O)	109.6650	0.000	1	109.6650	0.000	1	109.6650	0.000	1	108.7308	1.810	45	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)(O)	O(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)(O){3|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]O)	107.2220	0.000	1	107.2220	0.000	1	107.5705	0.243	2	108.7308	1.810	45	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)(O)	O(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)(O){3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]O)	107.9190	0.000	1	107.9190	0.000	1	107.5705	0.243	2	108.7308	1.810	45	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)(O)	O(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)(O){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]O)	109.1420	0.000	2	109.1420	0.000	2	107.3445	6.416	4	108.7308	1.810	45	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)(O)	O(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]O)	103.7690	0.000	1	103.7690	0.000	1	107.3445	6.416	4	108.7308	1.810	45	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O)	O(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]O)	107.3250	0.000	1	107.3250	0.000	1	107.3445	6.416	4	108.7308	1.810	45	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)(O)	O(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)(O){1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)	H(C[6]C[6]2O)	107.8700	0.369	2	107.8700	0.136	2	108.9132	1.287	38	108.7308	1.810	45	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O)	O(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)	H(C[6]C[6]2O)	107.8440	3.849	2	108.4128	5.395	4	108.9132	1.287	38	108.7308	1.810	45	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O)	O(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(O){2|C<4>,3|H<1>}	O(C[6]C[6]2H)	H(C[6]C[6]2O)	108.9815	0.267	2	108.4128	5.395	4	108.9132	1.287	38	108.7308	1.810	45	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O)	O(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(H)(O){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)	H(C[6]C[6]2O)	109.0960	0.000	1	109.0960	0.000	1	108.9132	1.287	38	108.7308	1.810	45	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O)	O(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)	H(C[6]C[6]2O)	108.8390	0.000	1	108.4245	0.344	2	108.9132	1.287	38	108.7308	1.810	45	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O)	O(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(O){2|C<4>,3|H<1>}	O(C[6]C[6]2H)	H(C[6]C[6]2O)	108.0100	0.000	1	108.4245	0.344	2	108.9132	1.287	38	108.7308	1.810	45	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O)	O(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(O){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)	H(C[6]C[6]2O)	109.0627	0.883	16	109.0627	0.780	16	108.9132	1.287	38	108.7308	1.810	45	107.5164	37.414	56	107.5382	36.116	58
466	863	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:O-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(O)	O(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(H)(O){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)	H(C[6]C[6]2O)	109.1047	1.108	13	109.1047	1.229	13	108.9132	1.287	38	108.7308	1.810	45	107.5164	37.414	56	107.5382	36.116	58
466	863	983	0:SP3_SP1_SP2	C[6]	O	C	3:3:2:1:	4:	4:2:	C[6]-3:C[6]-3:C-2:O-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]Br)2(CC)(O)	O(C[6]C[6]2C)	C(C[6]C[6]2O)(CH)	C[6](C[6]C[6]Br)2(CC)(O){2|Br<1>,1|C<4>}	O(C[6]C[6]2C)	C(C[6]C[6]2O)(CH)	110.6180	0.898	2	110.6180	0.806	2	110.6180	0.806	2	110.6180	0.806	2	110.6180	0.806	2	110.6180	0.806	2
466	874	922	6:SP3_SP3_SP3	C[6]	B[3x6]	S[6]	4:3:1:1:	4:4:4:3:	4:4:4:	B[3x6]-4:S[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:S[6]-3:	B[3x6]-4:C[6]-4:C-4:	C[6](B[3x6]C[6,6]2S[6])(S[6]B[3x6]C)(H)2	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C)	S[6](B[3x6]C[6,6]2C[6])(C[6]B[3x6]HH)(CH3)	C[6](B[3x6]C[6,6]2S[6])(S[6]B[3x6]C)(H)2{2|H<1>,8|C<4>}	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C){10|H<1>,1|B<4>,3|C<4>}	S[6](B[3x6]C[6,6]2C[6])(C[6]B[3x6]HH)(CH3){1|S<3>,4|H<1>,6|C<4>}	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	113.4510	0.000	1	117.6045	34.503	2	115.2605	18.941	4
466	874	922	6:SP3_SP3_SP3	C[6]	B[3x6]	S[6]	4:3:1:1:	4:4:4:4:	4:4:4:	B[3x6]-4:S[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	B[3x6]-4:C[6]-4:C-4:	C[6](B[3x6]C[6,6]2C[6])(S[6]B[3x6]C)(H)2	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)2	S[6](B[3x6]C[6,6]2S[6])(C[6]B[3x6]HH)(CH3)	C[6](B[3x6]C[6,6]2C[6])(S[6]B[3x6]C)(H)2{1|S<3>,4|H<1>,6|C<4>}	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)2{1|B<4>,4|C<4>,8|H<1>}	S[6](B[3x6]C[6,6]2S[6])(C[6]B[3x6]HH)(CH3){2|H<1>,8|C<4>}	121.7580	0.000	1	121.7580	0.000	1	121.7580	0.000	1	121.7580	0.000	1	117.6045	34.503	2	115.2605	18.941	4
466	874	922	6:SP3_SP3_SP3	C[6]	B[6]	S[6]	4:3:1:1:	3:3:3:4:	4:3:4:	B[6]-4:S[6]-3:H-1:H-1:	S[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	B[6]-4:C[6a]-3:C[6]-4:	C[6](B[6]C[6a]2S[6])(S[6]C[6a]B[6])(H)2	B[6](S[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]S[6]HH)	S[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]B[6]HH)	C[6](B[6]C[6a]2S[6])(S[6]C[6a]B[6])(H)2{1|C<4>,9|C<3>}	B[6](S[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]S[6]HH){1|B<4>,2|H<1>,4|F<1>,7|C<3>}	S[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]B[6]HH){1|S<3>,4|H<1>,8|C<3>}	112.9165	0.586	2	112.9165	0.344	2	112.9165	0.344	2	112.9165	0.344	2	112.9165	0.344	2	115.2605	18.941	4
466	874	951	0:SP3_SP-NON_SP3	C[3x6]	B[6,6]	H	3:3:4:1:	4:3:4:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	C[3x6]-4:B[6,6]-3:N-4:N-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2	H(C[3x6]C[6,6,6a]2B[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2{1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2B[6,6])	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	112.2367	0.023	3	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[3x6]	B[6,6]	H	3:3:4:1:	4:4:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	C[3x6]-4:B[6,6]-4:N-4:Cl-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl)	H(C[3x6]C[6,6,6a]2B[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H){1|Cl<1>,1|C<4>,1|N<4>,2|H<1>,4|C<3>}	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl){1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2B[6,6])	112.1670	0.129	2	112.1670	0.017	2	112.1670	0.017	2	112.1670	0.017	2	112.2367	0.023	3	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:1:1:	3:3:4:3:	4:	B[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(C[5]N[5]2)	H(C[6,6]B[3x6]C[6,6]H)	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2{2|N<3>,5|C<3>}	B[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(C[5]N[5]2){1|B<4>,4|H<1>,8|C<3>}	H(C[6,6]B[3x6]C[6,6]H)	109.5317	0.052	3	109.5317	0.003	3	109.5317	0.003	3	109.5317	0.003	3	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:1:1:	4:4:4:3:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	C[6,6]-4:	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,4|C<4>,6|H<1>}	B[3x6](C[3x6]C[3x6]C[6]2)(C[6,6]C[3x6]HH)2(N[6]C[6]2){2|C<3>,5|C<4>,9|H<1>}	H(C[6,6]B[3x6]C[3x6]H)	112.8865	1.290	4	112.8865	1.664	4	112.8865	1.664	4	112.6972	1.993	19	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:1:1:	4:4:4:3:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2	B[3x6](C[6,6]C[3x6]HH)3(N[6]C[6]2)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	B[3x6](C[6,6]C[3x6]HH)3(N[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]B[3x6]C[3x6]H)	110.3833	0.237	3	110.3833	0.056	3	110.3833	0.056	3	112.6972	1.993	19	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:1:1:	4:4:4:3:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O[5]-3:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2	B[3x6](C[6,6]C[3x6]HH)3(O[5]C[5]2)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	B[3x6](C[6,6]C[3x6]HH)3(O[5]C[5]2){5|C<4>,7|H<1>}	H(C[6,6]B[3x6]C[3x6]H)	113.2125	1.017	12	113.2125	1.034	12	113.2125	1.034	12	112.6972	1.993	19	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:1:1:	4:4:4:4:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2C)(H)2	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2C)(H)2{2|C<4>,8|H<1>}	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH){2|H<1>,4|C<4>}	H(C[6,6]B[3x6]C[3x6]H)	110.1243	0.029	3	110.1243	0.001	3	110.1644	0.011	10	110.1560	0.008	15	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:1:1:	4:4:4:4:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-4:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	B[3x6](C[6,6]C[3x6]HH)3(NC[3x6]HH){2|H<1>,4|C<4>}	H(C[6,6]B[3x6]C[3x6]H)	110.1816	0.123	7	110.1816	0.015	7	110.1644	0.011	10	110.1560	0.008	15	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:1:1:	4:4:4:4:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[3x6]-4:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2	B[3x6](C[6,6]C[3x6]HH)3(N[3x6]C[6,6]3)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	B[3x6](C[6,6]C[3x6]HH)3(N[3x6]C[6,6]3){6|C<4>,9|H<1>}	H(C[6,6]B[3x6]C[3x6]H)	110.1392	0.032	5	110.1392	0.001	5	110.1392	0.001	5	110.1560	0.008	15	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:2:1:	4:3:3:3:	4:	B[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H)	B[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(N[6]C[6]2)	H(C[6,6]B[3x6]C[6,6]C)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H){3|H<1>,4|C<3>}	B[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]B[3x6]C[6,6]C)	109.3000	0.000	1	109.3000	0.000	1	109.3000	0.000	1	109.3000	0.000	1	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:4:1:	3:4:4:2:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6])	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	B[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(O[6]C[6]){3|C<3>,3|C<4>,9|H<1>}	H(C[6,6]B[3x6]C[6]2)	108.6595	0.385	2	108.6595	0.149	2	108.6595	0.149	2	110.3522	3.950	4	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:4:1:	3:4:4:2:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a])	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,5|H<1>}	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a]){2|C<4>,4|C<3>,9|H<1>}	H(C[6,6]B[3x6]C[6]2)	112.0450	0.489	2	112.0450	0.239	2	112.0450	0.239	2	110.3522	3.950	4	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:4:1:	3:4:4:4:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{1|N<3>,2|C<4>,3|C<3>,9|H<1>}	H(C[6,6]B[3x6]C[6]2)	108.4959	0.271	8	108.5204	0.073	10	108.4175	0.147	12	108.3532	0.178	14	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:4:1:	3:4:4:4:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	H(C[6,6]B[3x6]C[6]2)	108.6185	0.337	2	108.5204	0.073	10	108.4175	0.147	12	108.3532	0.178	14	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:4:1:	3:4:4:4:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]N[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	H(C[6,6]B[3x6]C[6]2)	107.9030	0.569	2	107.9030	0.323	2	108.4175	0.147	12	108.3532	0.178	14	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:4:1:	3:4:4:4:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6a]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H)	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]N[6,6a]C[6,6]C[6])(C[6]C[6]HH)2(H){3|C<3>,3|C<4>,6|H<1>}	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	H(C[6,6]B[3x6]C[6]2)	107.9675	0.595	2	107.9675	0.354	2	107.9675	0.354	2	108.3532	0.178	14	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:4:1:	4:4:2:3:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H[6]-2:N[6]-3:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H)	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C)	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]H[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	B[3x6](C[6,6]C[6]2H)2(H[6]B[3x6])(N[6]C[6]C){1|N<3>,2|C<4>,9|H<1>}	H(C[6,6]B[3x6]C[6]2)	108.7728	0.266	4	108.7728	0.071	4	108.7728	0.071	4	108.7728	0.071	4	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:4:1:	4:4:3:2:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){1|C<3>,4|C<4>,5|H<1>}	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){11|H<1>,1|N<3>,2|C<4>}	H(C[6,6]B[3x6]C[6]2)	108.4363	0.195	4	108.5036	0.044	8	108.5036	0.044	8	108.5036	0.044	8	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:4:1:	4:4:3:2:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:O[6]-2:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H)	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6])	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]N[6]O[6])(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,5|H<1>}	B[3x6](C[6,6]C[6]2H)2(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,9|H<1>}	H(C[6,6]B[3x6]C[6]2)	108.5710	0.227	4	108.5036	0.044	8	108.5036	0.044	8	108.5036	0.044	8	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:4:1:	4:4:3:3:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:S[6]-3:S[6]-3:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]S[6]2)(C[6]C[6]HH)2(H)	B[3x6](C[6,6]C[6]2H)2(S[6]C[6]C)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]S[6]2)(C[6]C[6]HH)2(H){5|H<1>,6|C<4>}	B[3x6](C[6,6]C[6]2H)2(S[6]C[6]C)2{12|H<1>,1|B<4>,2|C<4>}	H(C[6,6]B[3x6]C[6]2)	108.6370	0.061	2	108.6370	0.004	2	108.6370	0.004	2	108.6370	0.004	2	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:4:1:	4:4:4:3:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:S[6]-3:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H)	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C)	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]C[6]S[6])(C[6]C[6]HH)2(H){1|S<3>,4|C<4>,7|H<1>}	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C){10|H<1>,1|B<4>,3|C<4>}	H(C[6,6]B[3x6]C[6]2)	108.8640	0.625	2	108.8640	0.391	2	108.8640	0.391	2	108.8640	0.391	2	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[3x6]	H	4:4:4:1:	4:4:4:4:	4:	B[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H)	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)2	H(C[6,6]B[3x6]C[6]2)	C[6,6](B[3x6]C[6,6]C[6]2)(C[6]C[6]HH)2(H){2|C<4>,2|S<3>,9|H<1>}	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)2{1|B<4>,4|C<4>,8|H<1>}	H(C[6,6]B[3x6]C[6]2)	107.8395	0.182	2	107.8395	0.033	2	107.8395	0.033	2	107.8395	0.033	2	110.0491	3.680	74	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:3:1:	4:4:3:3:	4:	B[6,6]-4:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{12|H<1>,2|C<3>,2|C<4>,2|N<3>}	H(C[6,6]B[6,6]C[6]2)	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:1:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]HH)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]HH)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:2:2:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(OC)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(OC)2{2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.4385	1.906	8	109.4385	3.633	8	110.5443	3.761	14	110.5443	3.761	14	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:2:2:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(ON)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]OO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(ON)2{2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	112.0187	0.358	6	112.0187	0.128	6	110.5443	3.761	14	110.5443	3.761	14	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]C[5]N[5])(H)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]C[5]N[5])(H){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.0415	0.173	2	108.0415	0.030	2	108.8678	0.937	26	109.0486	1.882	32	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5,5]2)(H)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5,5]2)(H){2|C<3>,4|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.1448	0.223	4	108.1448	0.050	4	108.8678	0.937	26	109.0486	1.882	32	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<3>,4|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.1429	1.111	16	109.0951	0.988	20	108.8678	0.937	26	109.0486	1.882	32	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){2|C<4>,4|C<3>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.8675	0.190	2	109.0951	0.988	20	108.8678	0.937	26	109.0486	1.882	32	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[5]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(H){3|C<3>,3|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.9405	0.145	2	109.0951	0.988	20	108.8678	0.937	26	109.0486	1.882	32	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:I-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(I)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[5]I)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)(I){1|B<3>,2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	112.9985	0.510	2	112.9985	0.260	2	112.9985	0.260	2	109.0486	1.882	32	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2(H){2|C<4>,2|N<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H){6|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.1675	0.036	2	108.1675	0.001	2	108.1675	0.001	2	109.0486	1.882	32	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(H)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[6]H)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(H){10|H<1>,2|C<3>,2|C<4>}	H(C[6,6]B[6,6]C[6]2)	108.3290	0.088	2	108.3290	0.008	2	108.3290	0.008	2	109.0486	1.882	32	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:2:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:C-2:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CN)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[6a]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CN){2|C<3>,2|C<4>,2|F<1>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.4530	0.123	2	108.4530	0.015	2	108.4530	0.015	2	108.4530	0.015	2	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:3:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[5]-3:C[5]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]C[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|N<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(C[5]N[5]2)2{4|C<3>,6|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	109.6160	1.022	2	109.6160	1.045	2	109.6160	1.045	2	108.5489	0.253	24	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:3:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{10|H<1>,2|C<3>,2|C<4>,2|N<3>,2|S<2>}	H(C[6,6]B[6,6]C[6]2)	108.3475	0.138	2	108.4694	0.080	9	108.4575	0.120	20	108.5489	0.253	24	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:3:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2)2{12|H<1>,2|C<3>,2|C<4>,2|N<3>}	H(C[6,6]B[6,6]C[6]2)	108.5043	0.311	7	108.4694	0.080	9	108.4575	0.120	20	108.5489	0.253	24	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:3:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){1|H<2>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{1|Ni<5>,3|C<4>,4|C<3>,9|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.1580	0.000	1	108.4478	0.163	11	108.4575	0.120	20	108.5489	0.253	24	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:3:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Cu<4>,2|C<4>,4|C<3>}	H(C[6,6]B[6,6]C[6]2)	108.3400	0.416	2	108.4478	0.163	11	108.4575	0.120	20	108.5489	0.253	24	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:3:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Ni<4>,2|C<4>,4|C<3>}	H(C[6,6]B[6,6]C[6]2)	108.7080	0.355	4	108.4478	0.163	11	108.4575	0.120	20	108.5489	0.253	24	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:3:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:N[5]-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])2{10|H<1>,1|Ni<5>,2|C<4>,4|C<3>}	H(C[6,6]B[6,6]C[6]2)	108.3140	0.459	4	108.4478	0.163	11	108.4575	0.120	20	108.5489	0.253	24	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:3:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[5]-3:O-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]O)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])(ONiH)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]O)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]N[5])(ONiH){2|C<3>,2|C<4>,9|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.3955	0.100	2	108.3955	0.010	2	108.3955	0.010	2	108.5489	0.253	24	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:4:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CC[6]HH){2|C<3>,3|C<4>,9|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.2590	0.164	4	108.2590	0.027	4	108.2910	0.025	6	108.3373	0.020	10	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:4:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6]-3:C-4:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CHHI)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[6]C[6]2)(CHHI){10|H<1>,2|C<3>,2|C<4>}	H(C[6,6]B[6,6]C[6]2)	108.3550	0.184	2	108.3550	0.034	2	108.2910	0.025	6	108.3373	0.020	10	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:4:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:S-3:C-4:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(SC[6a]Fe)(CCHH)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(SC[6a]Fe)(CCHH){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.4375	0.110	2	108.4375	0.012	2	108.4068	0.008	4	108.3373	0.020	10	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:3:4:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:S-3:C-4:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(SC[6a]Zn)(CCHH)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CS)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(SC[6a]Zn)(CCHH){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.3760	0.083	2	108.3760	0.007	2	108.4068	0.008	4	108.3373	0.020	10	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:4:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[5]-4:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]N[5]H)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2Fe)(H)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]N[5]H)(C[6]C[6]HH)2(H){1|Fe<10>,4|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(N[5]C[5]2Fe)(H){10|H<1>,4|C<4>}	H(C[6,6]B[6,6]C[6]2)	108.3900	0.125	3	108.3900	0.016	3	108.3900	0.016	3	108.4478	0.022	5	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:4:1:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:P-4:H-1:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(PC3)(H)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]HP)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(PC3)(H){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.5345	0.176	2	108.5345	0.031	2	108.5345	0.031	2	108.4478	0.022	5	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:4:2:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-2:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CHHS)(NC)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(CHHS)(NC){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.4503	0.079	6	108.4503	0.006	6	108.4503	0.006	6	108.3558	0.036	8	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:4:2:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-2:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CCHH)(OC)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(CCHH)(OC){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.0720	0.055	2	108.0720	0.003	2	108.0720	0.003	2	108.3558	0.036	8	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:4:3:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CC[6]HH)(OLiC)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(CC[6]HH)(OLiC){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.0925	0.186	2	108.0925	0.035	2	108.0400	0.026	4	108.0400	0.026	4	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:4:3:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:O-3:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CHHS)(OLiC)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CO)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(CHHS)(OLiC){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	107.9875	0.177	2	107.9875	0.032	2	108.0400	0.026	4	108.0400	0.026	4	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:4:4:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(CCHH)(NH3){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.2393	0.339	6	108.2393	0.115	6	108.3380	0.041	28	108.2898	0.046	34	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:4:4:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHN){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.3450	0.138	20	108.3450	0.019	20	108.3380	0.041	28	108.2898	0.046	34	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:4:4:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:N-4:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(CCHH)(NHHO){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.5640	0.008	2	108.5640	0.000	2	108.3380	0.041	28	108.2898	0.046	34	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6,6]	H	4:4:4:1:	4:4:4:4:	4:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-4:C-4:	C[6,6]-4:	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H)	B[6,6](C[6,6]C[6]2H)2(NFeHH)(CCHH)	H(C[6,6]B[6,6]C[6]2)	C[6,6](B[6,6]C[6,6]CN)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	B[6,6](C[6,6]C[6]2H)2(NFeHH)(CCHH){2|C<4>,8|H<1>}	H(C[6,6]B[6,6]C[6]2)	108.0647	0.098	6	108.0647	0.010	6	108.0647	0.010	6	108.2898	0.046	34	108.7586	1.323	135	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6]	H	4:4:4:1:	4:2:3:1:	4:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F)	H(C[6,6]C[6,6]2B[6])	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6])(N[6]C[6]C)(F){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2B[6])	113.7850	0.000	1	113.7850	0.000	1	109.1520	42.929	2	109.1520	42.929	2	109.1520	42.929	2	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6,6]	B[6]	H	4:4:4:1:	4:2:3:1:	4:	C[6,6]-4:C[6,6]-4:B[6]-4:H-1:	C[6,6]-4:O[6]-2:N[6]-3:F-1:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H)	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F)	H(C[6,6]C[6,6]2B[6])	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(B[6]N[6]O[6]F)(H){2|C<3>,2|H<1>,3|C<4>}	B[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(N[6]C[6]C)(F){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2B[6])	104.5190	0.000	1	104.5190	0.000	1	109.1520	42.929	2	109.1520	42.929	2	109.1520	42.929	2	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[3x6]	H	4:3:1:1:	4:4:4:3:	4:	B[3x6]-4:S[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:S[6]-3:	C[6]-4:	C[6](B[3x6]C[6,6]2S[6])(S[6]B[3x6]C)(H)2	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C)	H(C[6]B[3x6]S[6]H)	C[6](B[3x6]C[6,6]2S[6])(S[6]B[3x6]C)(H)2{2|H<1>,8|C<4>}	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)(S[6]C[6]C){10|H<1>,1|B<4>,3|C<4>}	H(C[6]B[3x6]S[6]H)	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	106.2281	1.907	10	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[3x6]	H	4:3:1:1:	4:4:4:4:	4:	B[3x6]-4:S[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[3x6]C[6,6]2C[6])(S[6]B[3x6]C)(H)2	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)2	H(C[6]B[3x6]S[6]H)	C[6](B[3x6]C[6,6]2C[6])(S[6]B[3x6]C)(H)2{1|S<3>,4|H<1>,6|C<4>}	B[3x6](C[6,6]C[6]2H)2(C[6]S[6]HH)2{1|B<4>,4|C<4>,8|H<1>}	H(C[6]B[3x6]S[6]H)	106.8965	0.022	2	106.8965	0.000	2	106.8965	0.000	2	106.8965	0.000	2	106.2281	1.907	10	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[3x6]	H	4:3:4:1:	3:4:4:4:	4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6]-4:	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	H(C[6]C[6,6a]B[3x6]C)	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{1|N<3>,2|C<4>,3|C<3>,9|H<1>}	H(C[6]C[6,6a]B[3x6]C)	104.9250	0.208	4	105.0472	0.107	5	105.4128	0.888	6	105.6586	1.163	7	106.2281	1.907	10	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[3x6]	H	4:3:4:1:	3:4:4:4:	4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6]-4:	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	H(C[6]C[6,6a]B[3x6]C)	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	H(C[6]C[6,6a]B[3x6]C)	105.5360	0.000	1	105.0472	0.107	5	105.4128	0.888	6	105.6586	1.163	7	106.2281	1.907	10	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[3x6]	H	4:3:4:1:	3:4:4:4:	4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6]-4:	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	H(C[6]C[6,6a]B[3x6]C)	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	H(C[6]C[6,6a]B[3x6]C)	107.2410	0.000	1	107.2410	0.000	1	105.4128	0.888	6	105.6586	1.163	7	106.2281	1.907	10	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[3x6]	H	4:3:4:1:	3:4:4:4:	4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	N[6,6a]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6]-4:	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	H(C[6]C[6,6a]B[3x6]C)	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	H(C[6]C[6,6a]B[3x6]C)	107.1330	0.000	1	107.1330	0.000	1	107.1330	0.000	1	105.6586	1.163	7	106.2281	1.907	10	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6,6]	H	4:3:1:1:	4:4:4:2:	4:	B[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(C[6]B[6,6]C[6]H)	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH){2|C<3>,6|H<1>}	H(C[6]B[6,6]C[6]H)	108.7070	0.175	7	108.7070	0.031	7	108.7070	0.031	7	108.7070	0.031	7	108.7780	0.772	15	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6,6]	H	4:4:1:1:	4:4:2:2:	4:	B[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](B[6,6]N[6]O[6]2)(C[6]C[6]HH)(H)2	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2	H(C[6]B[6,6]C[6]H)	C[6](B[6,6]N[6]O[6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	B[6,6](C[6]C[6]HH)(N[6]C[6]CH)(O[6]C[6])2{2|C<4>,8|H<1>}	H(C[6]B[6,6]C[6]H)	109.1100	3.128	2	109.1100	9.786	2	109.1100	9.786	2	108.8401	1.507	8	108.7780	0.772	15	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:B[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(B[6,6]C[6]O[6]2)(H)2	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2	H(C[6]B[6,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]C)(B[6,6]C[6]O[6]2)(H)2{1|C<4>,3|C<3>,5|H<1>}	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]B[6,6]C[6,6]H)	108.9727	0.139	3	108.9727	0.019	3	108.7502	0.114	6	108.8401	1.507	8	108.7780	0.772	15	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6,6]	H	4:4:1:1:	4:4:2:2:	4:	C[6,6]-4:B[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(B[6,6]C[6]O[6]2)(H)2	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2	H(C[6]B[6,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(B[6,6]C[6]O[6]2)(H)2{1|C<4>,3|C<3>,6|H<1>}	B[6,6](C[6]C[6,6]HH)2(O[6]C[6])2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]B[6,6]C[6,6]H)	108.5277	0.343	3	108.5277	0.118	3	108.7502	0.114	6	108.8401	1.507	8	108.7780	0.772	15	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	3:4:1:1:	3:4:3:3:	4:	C[6,6a]-3:B[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	B[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	H(C[6]C[6,6a]B[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	B[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|N<3>,4|C<4>,7|C<3>}	H(C[6]C[6,6a]B[6]H)	109.5120	0.007	2	109.5120	0.000	2	109.2212	0.113	4	109.3951	0.056	12	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	3:4:1:1:	3:4:3:3:	4:	C[6,6a]-3:B[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	B[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	H(C[6]C[6,6a]B[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|S<2>,4|C<4>,8|C<3>}	H(C[6]C[6,6a]B[6]H)	108.9305	0.013	2	108.9305	0.000	2	109.2212	0.113	4	109.3951	0.056	12	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	3:4:1:1:	3:4:3:3:	4:	C[6,6a]-3:B[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	H(C[6]C[6,6a]B[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,8|C<3>}	H(C[6]C[6,6a]B[6]H)	109.3705	0.009	2	109.4820	0.014	8	109.4820	0.014	8	109.3951	0.056	12	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	3:4:1:1:	3:4:3:3:	4:	C[6,6a]-3:B[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	H(C[6]C[6,6a]B[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,8|C<3>}	H(C[6]C[6,6a]B[6]H)	109.6055	0.030	2	109.4820	0.014	8	109.4820	0.014	8	109.3951	0.056	12	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	3:4:1:1:	3:4:3:3:	4:	C[6,6a]-3:B[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	H(C[6]C[6,6a]B[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{2|F<1>,3|H<1>,8|C<3>}	H(C[6]C[6,6a]B[6]H)	109.3765	0.013	2	109.4820	0.014	8	109.4820	0.014	8	109.3951	0.056	12	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	3:4:1:1:	3:4:3:3:	4:	C[6,6a]-3:B[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	H(C[6]C[6,6a]B[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	H(C[6]C[6,6a]B[6]H)	109.5755	0.028	2	109.4820	0.014	8	109.4820	0.014	8	109.3951	0.056	12	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	3:4:1:1:	4:3:3:4:	4:	C[6,6]-3:B[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2C[6])(H)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2C[6])(H)2{3|C<4>,4|C<3>,4|H<1>}	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	H(C[6]C[6,6]B[6]H)	109.8815	0.008	2	109.8815	0.000	2	109.8815	0.000	2	109.8815	0.000	2	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6,6a]-3:B[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:Br-1:Br-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2	H(C[6]C[6,6a]B[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H){1|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]B[6]C)	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	106.3627	0.191	3	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6,6a]-3:B[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2	H(C[6]C[6,6a]B[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H){1|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]B[6]C)	105.9810	0.000	1	105.9810	0.000	1	105.9810	0.000	1	106.3627	0.191	3	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	3:4:4:1:	3:4:1:1:	4:	C[6,6a]-3:B[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:I-1:I-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2	H(C[6]C[6,6a]B[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H){1|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]B[6]C)	106.2680	0.000	1	106.2680	0.000	1	106.2680	0.000	1	106.3627	0.191	3	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	3:4:4:1:	3:4:3:3:	4:	C[6,6a]-3:B[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	H(C[6]C[6,6a]B[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H){1|H<1>,8|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2{1|H<1>,1|N<3>,4|F<1>,7|C<3>}	H(C[6]C[6,6a]B[6]C)	105.4305	0.016	2	106.2448	2.253	6	106.2448	2.253	6	106.2448	2.253	6	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	3:4:4:1:	3:4:3:3:	4:	C[6,6a]-3:B[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	H(C[6]C[6,6a]B[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H){1|H<1>,8|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2{1|H<1>,4|F<1>,8|C<3>}	H(C[6]C[6,6a]B[6]C)	106.6520	1.758	4	106.2448	2.253	6	106.2448	2.253	6	106.2448	2.253	6	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:3:1:1:	3:3:3:4:	4:	B[6]-4:S[6]-3:H-1:H-1:	S[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2S[6])(S[6]C[6a]B[6])(H)2	B[6](S[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]S[6]HH)	H(C[6]B[6]S[6]H)	C[6](B[6]C[6a]2S[6])(S[6]C[6a]B[6])(H)2{1|C<4>,9|C<3>}	B[6](S[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]S[6]HH){1|B<4>,2|H<1>,4|F<1>,7|C<3>}	H(C[6]B[6]S[6]H)	109.0175	0.057	4	109.0175	0.003	4	109.0175	0.003	4	109.0175	0.003	4	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:3:1:1:	3:3:4:2:	4:	B[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,7|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){4|F<1>,7|C<3>}	H(C[6]B[6]C[6]H)	109.5873	0.123	3	109.5873	0.015	3	109.5873	0.015	3	109.5873	0.015	3	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:3:1:1:	3:3:4:4:	4:	B[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]C)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	H(C[6]B[6]C[6]H)	110.1970	0.061	2	110.1970	0.004	2	110.1970	0.004	2	108.2362	5.127	4	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:3:1:1:	3:3:4:4:	4:	B[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-4:	C[6]-4:	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]C[6]CC)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2{4|C<3>,4|C<4>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]C[6]CC){3|H<1>,4|F<1>,5|C<3>}	H(C[6]B[6]C[6]H)	106.2755	0.012	2	106.2755	0.000	2	106.2755	0.000	2	108.2362	5.127	4	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:3:1:1:	4:3:3:4:	4:	B[6]-4:C[6]-3:H-1:H-1:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2{2|C<4>,6|C<3>}	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){3|H<1>,4|F<1>,9|C<3>}	H(C[6]B[6]C[6]H)	108.7435	0.038	4	108.7435	0.001	4	108.7435	0.001	4	108.7435	0.001	4	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:3:3:1:	4:3:3:2:	4:	B[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H)	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6])	H(C[6]C[6a]B[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H){2|F<1>,7|C<3>}	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|N<3>,1|O<2>,4|F<1>,7|C<3>}	H(C[6]C[6a]B[6]C[6])	106.2820	0.000	1	105.9680	0.197	2	105.9680	0.197	2	105.9680	0.197	2	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:3:3:1:	4:3:3:2:	4:	B[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H)	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6])	H(C[6]C[6a]B[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H){2|F<1>,7|C<3>}	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6]){2|O<2>,4|F<1>,7|C<3>}	H(C[6]C[6a]B[6]C[6])	105.6540	0.000	1	105.9680	0.197	2	105.9680	0.197	2	105.9680	0.197	2	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:3:4:	4:	B[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2	B[6](N[6]C[6,6]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2{1|C<4>,7|C<3>}	B[6](N[6]C[6,6]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,1|S<2>,2|H<1>,4|F<1>,6|C<3>}	H(C[6]B[6]C[6]H)	108.7145	0.053	2	108.7145	0.003	2	108.7145	0.003	2	108.7145	0.003	2	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:2:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2{2|C<4>,2|H<1>,5|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,3|C<4>,4|F<1>,5|C<3>}	H(C[6]B[6]C[6]H)	109.4955	0.040	2	109.4955	0.002	2	108.8419	0.509	25	108.7234	0.652	27	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:2:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[6]CH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[6]CH)(H)2{6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<2>,4|F<1>,6|C<3>}	H(C[6]B[6]C[6]H)	108.6615	0.015	2	108.6615	0.000	2	108.8419	0.509	25	108.7234	0.652	27	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:2:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){2|H<1>,3|C<4>,4|C<3>,4|F<1>}	H(C[6]B[6]C[6]H)	109.6175	0.016	2	109.6175	0.000	2	108.8419	0.509	25	108.7234	0.652	27	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:2:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2{1|C<4>,2|H<1>,4|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|P<4>,3|C<4>,4|C<3>,4|F<1>}	H(C[6]B[6]C[6]H)	110.0423	0.241	3	110.0423	0.058	3	108.8419	0.509	25	108.7234	0.652	27	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:2:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6,6]){1|O<2>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	H(C[6]B[6]C[6]H)	107.9507	0.108	3	107.9507	0.012	3	108.8419	0.509	25	108.7234	0.652	27	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:2:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]S[6,6])	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,1|S<3>,5|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]S[6,6]){1|O<2>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	H(C[6]B[6]C[6]H)	107.9718	0.225	4	107.9718	0.051	4	108.8419	0.509	25	108.7234	0.652	27	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:2:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2{1|C<4>,6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|P<4>,2|H<1>,4|F<1>,5|C<3>}	H(C[6]B[6]C[6]H)	108.8540	0.016	2	108.8540	0.000	2	108.8419	0.509	25	108.7234	0.652	27	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:2:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|C<4>,6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|P<4>,3|H<1>,4|F<1>,5|C<3>}	H(C[6]B[6]C[6]H)	108.8000	0.014	4	108.8608	0.009	6	108.8419	0.509	25	108.7234	0.652	27	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:2:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6])	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]C[6]){1|O<2>,1|P<3>,2|H<1>,4|C<3>,4|F<1>}	H(C[6]B[6]C[6]H)	108.9825	0.005	2	108.8608	0.009	6	108.8419	0.509	25	108.7234	0.652	27	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:2:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]N[6])	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|N<3>,6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]N[6]){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	H(C[6]B[6]C[6]H)	108.7590	0.000	1	108.7590	0.000	1	108.8419	0.509	25	108.7234	0.652	27	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:2:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:S[6]-2:	C[6]-4:	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(S[6]C[6,6])	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(S[6]C[6,6]){1|N<3>,1|P<4>,2|H<1>,4|C<3>,4|F<1>}	H(C[6]B[6]C[6]H)	107.2420	0.037	2	107.2420	0.001	2	107.2420	0.001	2	108.7234	0.652	27	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:3:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,4|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	H(C[6]B[6]C[6]H)	110.1595	0.032	2	110.1595	0.001	2	109.6913	0.113	7	109.6913	0.113	7	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:3:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2{1|H<1>,7|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	H(C[6]B[6]C[6]H)	109.3905	0.009	2	109.3905	0.000	2	109.6913	0.113	7	109.6913	0.113	7	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:3:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{2|H<1>,6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	H(C[6]B[6]C[6]H)	109.6860	0.000	1	109.6860	0.000	1	109.6913	0.113	7	109.6913	0.113	7	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:3:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]P)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|P<3>,7|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]P){1|P<4>,2|H<1>,4|F<1>,5|C<3>}	H(C[6]B[6]C[6]H)	109.5265	0.022	2	109.5265	0.000	2	109.6913	0.113	7	109.6913	0.113	7	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	H(C[6]B[6]C[6]H)	108.7720	0.024	2	108.7720	0.001	2	108.6710	0.239	15	107.6937	0.959	50	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	H(C[6]B[6]C[6]H)	108.8895	0.009	2	108.9215	0.002	4	108.6710	0.239	15	107.6937	0.959	50	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,4|C<3>,4|H<1>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	H(C[6]B[6]C[6]H)	108.9535	0.025	2	108.9215	0.002	4	108.6710	0.239	15	107.6937	0.959	50	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|O<2>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	H(C[6]B[6]C[6]H)	109.2690	0.064	2	108.6351	0.317	8	108.6710	0.239	15	107.6937	0.959	50	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,3|H<1>,5|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|P<4>,4|C<3>,4|F<1>,4|H<1>}	H(C[6]B[6]C[6]H)	108.4238	0.478	6	108.6351	0.317	8	108.6710	0.239	15	107.6937	0.959	50	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,2|H<1>,6|C<3>}	B[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|O<2>,1|P<4>,3|H<1>,4|C<3>,4|F<1>}	H(C[6]B[6]C[6]H)	107.7540	0.000	1	107.7540	0.000	1	108.6710	0.239	15	107.6937	0.959	50	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:4:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Cr<6>,1|P<4>,2|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	107.8817	0.070	4	107.4865	0.390	19	107.1387	0.752	27	107.6937	0.959	50	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:4:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Fe<5>,1|P<4>,2|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	107.6885	0.301	4	107.4865	0.390	19	107.1387	0.752	27	107.6937	0.959	50	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:4:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Mo<6>,1|P<4>,2|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	107.1188	0.257	4	107.4865	0.390	19	107.1387	0.752	27	107.6937	0.959	50	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:4:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|P<4>,1|W<6>,2|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<3>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	107.8717	0.068	4	107.4865	0.390	19	107.1387	0.752	27	107.6937	0.959	50	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:4:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{2|Co<4>,1|P<4>,2|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|P<4>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	106.6667	1.136	3	107.4865	0.390	19	107.1387	0.752	27	107.6937	0.959	50	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:4:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]Ga[6]CC)(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]Ga[6]CC)(H)2{1|Ga<4>,1|I<1>,1|P<4>,2|H<1>,4|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ga<4>,4|C<3>,4|C<4>,4|H<1>}	H(C[6]B[6]P[6]H)	106.3126	0.825	8	106.3126	0.681	8	107.1387	0.752	27	107.6937	0.959	50	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:4:	4:	P[6]-4:B[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2Ga[6])(B[6]C[6a]2C[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	H(C[6]B[6]P[6]H)	C[6](P[6]C[6a]2Ga[6])(B[6]C[6a]2C[6])(H)2{1|Ga<4>,1|I<1>,1|P<4>,2|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ga<4>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	107.7647	0.087	4	107.7647	0.008	4	107.7345	0.206	8	107.6937	0.959	50	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	3:3:4:4:	4:	P[6]-4:B[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2Ge[6])(B[6]C[6a]2C[6])(H)2	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2	H(C[6]B[6]P[6]H)	C[6](P[6]C[6a]2Ge[6])(B[6]C[6a]2C[6])(H)2{1|C<4>,1|P<4>,2|H<1>,8|C<3>}	B[6](C[6a]C[6a]2)2(C[6]P[6]HH)2{1|Ge<3>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	107.7043	0.685	4	107.7043	0.469	4	107.7345	0.206	8	107.6937	0.959	50	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:3:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]B[6]C[6]H)	111.7665	0.681	2	111.7665	0.464	2	111.7665	0.464	2	111.7665	0.464	2	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:3:3:2:	4:	C[3,6]-4:B[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(B[6]C[6a]2O[6])(H)2	B[6](C[6]C[3,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	H(C[6]C[3,6]B[6]H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(B[6]C[6a]2O[6])(H)2{2|C<4>,6|C<3>}	B[6](C[6]C[3,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>,4|F<1>}	H(C[6]C[3,6]B[6]H)	109.2680	0.011	2	109.2680	0.000	2	109.2680	0.000	2	109.5174	0.169	8	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:3:3:2:	4:	C[5,6]-4:B[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2	B[6](C[6]C[5,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	H(C[6]C[5,6]B[6]H)	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,1|P<4>,2|H<1>,5|C<3>}	B[6](C[6]C[5,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|F<1>,5|C<3>}	H(C[6]C[5,6]B[6]H)	109.4995	0.073	2	109.4995	0.005	2	109.4995	0.005	2	109.5174	0.169	8	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:3:3:2:	4:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(B[6]C[6a]2O[6])(H)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[5,6])	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(B[6]C[6a]2O[6])(H)2{2|C<4>,3|H<1>,5|C<3>}	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[5,6]){1|H<1>,1|O<2>,2|C<4>,4|F<1>,5|C<3>}	H(C[6]C[6,6]B[6]H)	109.1555	0.016	2	109.1555	0.000	2	109.6510	0.328	4	109.5174	0.169	8	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:3:3:2:	4:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[6])	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,8|C<3>}	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	H(C[6]C[6,6]B[6]H)	110.1465	0.028	2	110.1465	0.001	2	109.6510	0.328	4	109.5174	0.169	8	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:3:3:3:	4:	B[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6,6]C[6]3)(H)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]H)	H(C[6]C[6,6]B[6]H)	C[6](B[6]C[6a]2C[6])(C[6,6]C[6]3)(H)2{7|C<3>,7|H<1>}	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]H){1|P<4>,3|C<4>,4|C<3>,4|F<1>}	H(C[6]C[6,6]B[6]H)	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:3:3:4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]B[6]C[6]H)	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,3|C<4>,4|C<3>,4|F<1>,4|H<1>}	H(C[6]B[6]C[6]H)	107.8270	0.006	2	107.8270	0.000	2	107.8270	0.000	2	108.9059	0.278	15	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:3:3:4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2	B[6](C[5,6]C[5,6]C[5]Ir)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]B[6]C[6]H)	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2{1|Ir<10>,2|C<4>,2|H<1>,4|C<3>}	B[6](C[5,6]C[5,6]C[5]Ir)(C[6a]C[6a]2)2(C[6]C[6]HH){3|C<4>,3|H<1>,4|C<3>,4|F<1>}	H(C[6]B[6]C[6]H)	109.2345	0.048	4	109.2345	0.002	4	109.2384	0.044	9	108.9059	0.278	15	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:3:3:4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2	B[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]B[6]C[6]H)	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2{1|Zr<15>,2|C<4>,2|H<1>,4|C<3>}	B[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)2(C[6]C[6]HH){1|F<2>,3|C<4>,3|F<1>,3|H<1>,4|C<3>}	H(C[6]B[6]C[6]H)	109.3730	0.012	4	109.3730	0.000	4	109.2384	0.044	9	108.9059	0.278	15	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:3:3:4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]B[6]C[6]H)	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|P<4>,4|F<1>,4|H<1>,6|C<3>}	H(C[6]B[6]C[6]H)	108.7160	0.000	1	108.7160	0.000	1	109.2384	0.044	9	108.9059	0.278	15	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:3:3:4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	B[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|H<1>,1|P<4>,4|F<1>,5|C<3>}	H(C[6]B[6]C[6]H)	108.6145	0.062	2	108.6145	0.004	2	108.6145	0.004	2	108.9059	0.278	15	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:3:3:4:	4:	B[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2P[6])(C[6]C[5,6]HH)(H)2	B[6](P[6]C[5,6]C[6a]2)(C[6a]C[6a]2)2(C[6]C[6]HH)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2P[6])(C[6]C[5,6]HH)(H)2{1|Fe<10>,2|C<4>,6|C<3>}	B[6](P[6]C[5,6]C[6a]2)(C[6a]C[6a]2)2(C[6]C[6]HH){1|Fe<10>,2|C<4>,2|H<1>,4|F<1>,8|C<3>}	H(C[6]B[6]C[6]H)	108.7795	0.057	2	108.7795	0.003	2	108.7795	0.003	2	108.9059	0.278	15	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:3:4:4:	4:	B[6]-4:P[6]-4:H-1:H-1:	P[6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](B[6]C[6a]P[6]C)(P[6]C[6a]2B[6])(H)2	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP)	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]P[6]C)(P[6]C[6a]2B[6])(H)2{2|C<4>,9|C<3>}	B[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]P[6]HH)(CHHP){1|B<4>,4|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	107.3965	0.213	6	107.3965	0.045	6	107.3965	0.045	6	107.3965	0.045	6	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]B[6]C[6]H)	109.3460	0.132	2	109.3460	0.017	2	110.1337	0.950	4	110.2925	1.044	11	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]B[6]C[6]H)	110.9215	0.592	2	110.9215	0.350	2	110.1337	0.950	4	110.2925	1.044	11	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]B[6]N[6]H)	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	B[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|B<4>,4|H<1>}	H(C[6]B[6]N[6]H)	111.8795	0.189	2	111.8795	0.036	2	111.8795	0.036	2	110.2925	1.044	11	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:B[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2	H(C[6]B[6]N[6]H)	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2{2|Si<4>,1|C<4>,2|H<1>}	B[6](N[6]C[6]Si2)(C[6]N[6]HH)(H)2{2|Si<4>,1|B<4>,2|H<1>}	H(C[6]B[6]N[6]H)	109.9287	0.487	4	109.9287	0.237	4	109.9287	0.237	4	110.2925	1.044	11	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:B[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(H)2	B[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	H(C[6]B[6]P[6]H)	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	B[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|B<4>,2|H<1>,6|C<3>}	H(C[6]B[6]P[6]H)	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	110.2925	1.044	11	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:4:2:2:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:O-2:O-2:	C[6]-4:	C[6](B[6]N[6]OO)(C[6]C[6]HH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]OO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2{1|C<4>,4|H<1>}	H(C[6]B[6]C[6]H)	109.8787	0.501	4	109.8787	0.251	4	109.8787	0.251	4	109.8787	0.251	4	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:4:3:3:	4:	C[3x6]-4:B[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(B[6]C[6a]2C[6])(H)2	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2	H(C[6]C[3x6]B[6]H)	C[6](C[3x6]C[6,6]2C[6])(B[6]C[6a]2C[6])(H)2{3|C<4>,6|C<3>,6|H<1>}	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2{1|P<4>,4|C<3>,4|C<4>,4|F<1>}	H(C[6]C[3x6]B[6]H)	107.6210	0.066	2	107.6210	0.004	2	107.6210	0.004	2	108.1425	0.364	4	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:4:3:3:	4:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]P)(B[6]C[6a]2C[6])(H)2	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[6,6]C[6]P)(B[6]C[6a]2C[6])(H)2{1|C<4>,5|C<3>,6|H<1>}	B[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(C[6a]C[6a]2)2{1|P<4>,4|C<3>,4|C<4>,4|F<1>}	H(C[6]C[6,6]B[6]H)	108.6640	0.013	2	108.6640	0.000	2	108.6640	0.000	2	108.1425	0.364	4	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:1:1:	4:4:4:2:	4:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2	B[6](C[6]C[6,6]HH)2(CCHH)(OS)	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	B[6](C[6]C[6,6]HH)2(CCHH)(OS){2|H<1>,3|C<4>}	H(C[6]C[6,6]B[6]H)	111.8624	1.546	8	111.8624	2.391	8	111.8624	2.391	8	111.8624	2.391	8	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:4:1:	3:3:3:4:	4:	B[6]-4:P[6]-4:C-4:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H)	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH)	H(C[6]B[6]P[6]C)	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H){1|N<2>,9|C<3>}	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH){1|N<2>,4|F<1>,8|C<3>}	H(C[6]B[6]P[6]C)	102.9870	0.000	1	102.9870	0.000	1	102.9870	0.000	1	102.9870	0.000	1	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:4:1:	4:4:1:1:	4:	P[6]-4:B[6]-4:P-4:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(PC[6a]2S)(H)	B[6](P[6]C[6a]2C[6])(C[6]P[6]HP)(H)2	H(C[6]B[6]P[6]P)	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(PC[6a]2S)(H){1|C<4>,2|H<1>,6|C<3>}	B[6](P[6]C[6a]2C[6])(C[6]P[6]HP)(H)2{1|B<4>,1|H<1>,1|P<4>,6|C<3>}	H(C[6]B[6]P[6]P)	104.4100	1.262	3	104.4100	1.593	3	104.4100	1.593	3	104.4100	1.593	3	108.5428	2.803	191	108.8528	2.980	430
466	874	951	0:SP3_SP-NON_SP3	C[6]	B[6]	H	4:4:4:1:	4:4:3:1:	4:	B[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H)	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H)	H(C[6]B[6]C[6]C)	C[6](B[6]C[6]N[6]H)(C[6]N[6]HH)(CCCH)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	B[6](C[6]C[6]CH)2(N[6]C[6]2)(H){1|N<3>,2|C<3>,6|H<1>}	H(C[6]B[6]C[6]C)	104.7685	1.027	2	104.7685	1.056	2	104.7685	1.056	2	104.7685	1.056	2	108.5428	2.803	191	108.8528	2.980	430
466	874	983	0:SP3_SP1_SP3	C[6,6]	B[3x6]	C	4:4:2:1:	4:3:3:3:	4:1:	B[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-4:N-1:	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H)	B[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(N[6]C[6]2)	C(C[6,6]B[3x6]C[6,6]H)(N)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H){3|H<1>,4|C<3>}	B[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C(C[6,6]B[3x6]C[6,6]H)(N)	110.2710	0.000	1	110.2710	0.000	1	110.2710	0.000	1	110.2710	0.000	1	110.2710	0.000	1	110.2710	0.000	1
466	874	992	0:SP3_SP3_SP3	C[6]	B[6]	P	4:4:4:1:	4:4:1:1:	4:3:3:1:	P[6]-4:B[6]-4:P-4:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:S-1:	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(PC[6a]2S)(H)	B[6](P[6]C[6a]2C[6])(C[6]P[6]HP)(H)2	P(C[6]B[6]P[6]H)(C[6a]C[6a]2)2(S)	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(PC[6a]2S)(H){1|C<4>,2|H<1>,6|C<3>}	B[6](P[6]C[6a]2C[6])(C[6]P[6]HP)(H)2{1|B<4>,1|H<1>,1|P<4>,6|C<3>}	P(C[6]B[6]P[6]H)(C[6a]C[6a]2)2(S)	116.4997	1.394	3	116.4997	1.942	3	116.4997	1.942	3	116.4997	1.942	3	116.4997	1.942	3	116.4997	1.942	3
466	876	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:H-2:H-1:	C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H)	H(C[6]C[6]2H)(CH)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(HC)(H){1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]2H)(CH)	H(C[6]C[6]2H)	108.8190	0.000	1	108.8190	0.000	1	108.8190	0.000	1	108.8190	0.000	1	108.8190	0.000	1	108.8190	0.000	1
466	878	880	0:SP3_SP-NON_SP3	C[6]	Ga[4]	Si	4:4:4:4:	4:2:2:1:	4:4:4:4:	C[6]-4:Ga[4]-4:Ga[6]-4:Si-4:	C[6]-4:Cl[4]-2:Cl[4]-2:Cl-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3)	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl)	Si(C[6]Ga[4]Ga[6]C[6])(CH3)3	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3){1|Ga<4>,2|C<3>}	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl){1|Br<2>,3|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	Si(C[6]Ga[4]Ga[6]C[6])(CH3)3	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1
466	878	943	0:SP3_SP-NON_SP-NON	C[6]	Ga[4]	Ga[6]	4:4:4:4:	4:2:2:1:	4:2:1:1:	C[6]-4:Ga[4]-4:Ga[6]-4:Si-4:	C[6]-4:Cl[4]-2:Cl[4]-2:Cl-1:	C[6]-4:Br[6]-2:Cl-1:Cl-1:	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3)	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl)	Ga[6](C[6]Ga[4]C[6]Si)(Br[6]C[6,6a])(Cl)2	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3){1|Ga<4>,2|C<3>}	Ga[4](C[6]Ga[6]C[6]Si)(Cl[4]Ga[4])2(Cl){1|Br<2>,3|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	Ga[6](C[6]Ga[4]C[6]Si)(Br[6]C[6,6a])(Cl)2{1|Cl<1>,2|Cl<2>,2|C<3>,2|H<1>}	100.1750	0.000	1	100.1750	0.000	1	100.1750	0.000	1	100.1750	0.000	1	100.1750	0.000	1	100.1750	0.000	1
466	880	880	0:SP3_SP3_SP3	C[6]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]C[6a]Si[6])(C[6]C[6]HH)(SiC3)2	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]C[6a]Si[6])(C[6]C[6]HH)(SiC3)2{1|C<4>,2|H<1>,3|C<3>}	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	112.4620	0.481	2	112.1380	0.431	3	112.5359	0.469	13	112.5359	0.469	13	112.4333	0.499	16	112.4333	0.499	16
466	880	880	0:SP3_SP3_SP3	C[6]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]C[6a]Si[6])(C[6]C[6]HH)(SiC3)2	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]C[6a]Si[6])(C[6]C[6]HH)(SiC3)2{1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	111.4900	0.000	1	112.1380	0.431	3	112.5359	0.469	13	112.5359	0.469	13	112.4333	0.499	16	112.4333	0.499	16
466	880	880	0:SP3_SP3_SP3	C[6]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]Si[6]2)(C[6]C[6]HH)(SiC3)2	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]Si[6]2)(C[6]C[6]HH)(SiC3)2{1|Si<3>,1|Si<4>,2|C<4>,2|H<1>}	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	111.5380	0.182	2	111.5380	0.033	2	112.5359	0.469	13	112.5359	0.469	13	112.4333	0.499	16	112.4333	0.499	16
466	880	880	0:SP3_SP3_SP3	C[6]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2{1|C<3>,1|C<4>,2|H<1>}	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	112.6670	0.000	1	112.9346	0.142	8	112.5359	0.469	13	112.5359	0.469	13	112.4333	0.499	16	112.4333	0.499	16
466	880	880	0:SP3_SP3_SP3	C[6]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2{1|C<4>,2|H<1>}	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	112.6940	0.000	1	112.9346	0.142	8	112.5359	0.469	13	112.5359	0.469	13	112.4333	0.499	16	112.4333	0.499	16
466	880	880	0:SP3_SP3_SP3	C[6]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2{1|Si<3>,1|C<4>,2|H<1>}	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	112.7500	0.246	2	112.9346	0.142	8	112.5359	0.469	13	112.5359	0.469	13	112.4333	0.499	16	112.4333	0.499	16
466	880	880	0:SP3_SP3_SP3	C[6]	Si	Si	3:4:4:4:	4:4:4:4:	4:4:4:4:	Si[6]-3:C[6]-4:Si-4:Si-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]Si[6]Si)(C[6]C[6]HH)(SiC3)2{1|Si<4>,1|C<4>,2|H<1>}	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	113.1540	0.425	4	112.9346	0.142	8	112.5359	0.469	13	112.5359	0.469	13	112.4333	0.499	16	112.4333	0.499	16
466	880	880	0:SP3_SP3_SP3	C[6]	Si	Si	4:2:4:4:	4:4:4:4:	4:4:4:4:	C[6]-4:Si[6]-2:Si-4:Si-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]HH)(Si[6]Si[6])(SiC3)2	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](C[6]C[6]HH)(Si[6]Si[6])(SiC3)2{1|Si<4>,1|C<4>,2|H<1>}	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	111.5450	0.000	1	112.4333	0.499	16	112.4333	0.499	16
466	880	880	0:SP3_SP3_SP3	C[6]	Si	Si	4:4:4:4:	4:4:4:4:	4:4:4:4:	Si[6]-4:C[6]-4:Si-4:Si-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]C[6a]Si[6]Pd)(C[6]C[6]HH)(SiC3)2	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	C[6](Si[6]C[6a]Si[6]Pd)(C[6]C[6]HH)(SiC3)2{1|C<4>,2|H<1>,3|C<3>}	Si(C[6]Si[6]C[6]Si)(CH3)3	Si(C[6]Si[6]C[6]Si)(CH3)3	112.2100	0.912	2	112.2100	0.832	2	112.2100	0.832	2	112.2100	0.832	2	112.4333	0.499	16	112.4333	0.499	16
466	880	943	0:SP3_SP-NON_SP3	C[6,6]	Si	Ga[3x6]	4:4:4:4:	4:3:3:4:	4:2:2:4:	Ga[3x6]-4:Ga[3x6]-4:Si-4:C-4:	C[6,6]-4:C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:H[6,6]-2:H[6,6]-2:C-4:	C[6,6](Ga[3x6]H[6,6]2C)2(SiC[6a]2C)(CC[6a]HH)	Si(C[6,6]Ga[3x6]2C)(C[6a]C[6a]2)2(CH3)	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3)	C[6,6](Ga[3x6]H[6,6]2C)2(SiC[6a]2C)(CC[6a]HH)	Si(C[6,6]Ga[3x6]2C)(C[6a]C[6a]2)2(CH3)	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3){1|C<4>,2|H<2>}	111.2308	3.461	4	111.2308	11.979	4	111.2308	11.979	4	111.2308	11.979	4	111.2308	11.979	4	111.5710	9.563	5
466	880	943	0:SP3_SP-NON_SP3	C[6]	Si	Ga[6]	4:4:4:4:	4:4:4:4:	4:2:1:1:	C[6]-4:Ga[4]-4:Ga[6]-4:Si-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:Br[6]-2:Cl-1:Cl-1:	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3)	Si(C[6]Ga[4]Ga[6]C[6])(CH3)3	Ga[6](C[6]Ga[4]C[6]Si)(Br[6]C[6,6a])(Cl)2	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3){1|Ga<4>,2|C<3>}	Si(C[6]Ga[4]Ga[6]C[6])(CH3)3	Ga[6](C[6]Ga[4]C[6]Si)(Br[6]C[6,6a])(Cl)2{1|Cl<1>,2|Cl<2>,2|C<3>,2|H<1>}	112.9320	0.000	1	112.9320	0.000	1	112.9320	0.000	1	112.9320	0.000	1	112.9320	0.000	1	111.5710	9.563	5
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	3:3:4:1:	3:4:1:1:	4:	N[6]-3:N[6]-3:Si-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])2(SiC[6a]HH)(H)	Si(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	H(C[6]N[6]2Si)	C[6](N[6]C[6a]C[6])2(SiC[6a]HH)(H){1|C<4>,4|C<3>,4|H<1>}	Si(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	H(C[6]N[6]2Si)	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	3:3:4:1:	4:3:2:1:	4:	C[6,6a]-3:C[6,6a]-3:Si-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(SiC[6a]HO)(H)	Si(C[6]C[6,6a]2H)(C[6a]C[6a]2)(OC)(H)	H(C[6]C[6,6a]2Si)	C[6](C[6,6a]C[6,6a]C[6a])2(SiC[6a]HO)(H){1|O<2>,2|H<1>,4|C<3>}	Si(C[6]C[6,6a]2H)(C[6a]C[6a]2)(OC)(H)	H(C[6]C[6,6a]2Si)	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[6,6a]-3:B[6]-3:Si-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H)	Si(C[6]C[6,6a]B[6]H)(CH3)3	H(C[6]C[6,6a]B[6]Si)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H){1|H<1>,6|C<3>}	Si(C[6]C[6,6a]B[6]H)(CH3)3	H(C[6]C[6,6a]B[6]Si)	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	106.1395	3.367	14	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[6,6a]-3:C[6,6a]-3:Si-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(SiC3)(H)	Si(C[6]C[6,6a]2H)(CH3)3	H(C[6]C[6,6a]2Si)	C[6](C[6,6a]C[6,6a]C[6a])2(SiC3)(H){1|C<4>,2|H<1>,4|C<3>}	Si(C[6]C[6,6a]2H)(CH3)3	H(C[6]C[6,6a]2Si)	106.6600	0.000	1	106.6600	0.000	1	106.6600	0.000	1	106.1395	3.367	14	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[6]-3:C[6]-3:Si-4:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)2(SiC[5]CC)(H)	Si(C[5]C[5]2Fe)(C[6]C[6]2H)(CC3)(CH3)	H(C[6]C[6]2Si)	C[6](C[6]C[6]H)2(SiC[5]CC)(H){1|C<4>,2|H<1>}	Si(C[5]C[5]2Fe)(C[6]C[6]2H)(CC3)(CH3)	H(C[6]C[6]2Si)	107.5995	0.582	2	107.5995	0.339	2	107.5995	0.339	2	106.1395	3.367	14	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[6]-3:C[6]-3:Si-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(SiC3)(H)	Si(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2Si)	C[6](C[6]C[6]C)(C[6]C[6]H)(SiC3)(H){1|H<1>,2|C<4>}	Si(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2Si)	105.0346	0.697	5	105.0346	0.485	5	104.5768	1.646	6	106.1395	3.367	14	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	3:3:4:1:	4:4:4:4:	4:	C[6]-3:C[6]-3:Si-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6])2(SiC3)(H)	Si(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2Si)	C[6](C[6]C[6a]N[6])2(SiC3)(H){1|Si<4>,4|C<3>}	Si(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2Si)	102.2880	0.000	1	102.2880	0.000	1	104.5768	1.646	6	106.1395	3.367	14	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	3:3:4:1:	4:4:4:4:	4:	N[6]-3:N[6]-3:Si-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(SiC3)(H)	Si(C[6]N[6]2H)(CGaHH)(CH3)2	H(C[6]N[6]2Si)	C[6](N[6]C[6]C)2(SiC3)(H){1|N<3>,4|H<1>}	Si(C[6]N[6]2H)(CGaHH)(CH3)2	H(C[6]N[6]2Si)	105.9650	0.000	1	105.9650	0.000	1	107.2120	3.110	2	106.1395	3.367	14	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	3:3:4:1:	4:4:4:4:	4:	N[6]-3:N[6]-3:Si-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(SiC3)(H)	Si(C[6]N[6]2H)(CH3)3	H(C[6]N[6]2Si)	C[6](N[6]C[6]C)2(SiC3)(H){1|N<3>,4|H<1>}	Si(C[6]N[6]2H)(CH3)3	H(C[6]N[6]2Si)	108.4590	0.000	1	108.4590	0.000	1	107.2120	3.110	2	106.1395	3.367	14	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	3:3:4:1:	4:4:4:4:	4:	N[6]-3:N[6]-3:Si-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(SiC[6]CC)(H)	Si(C[6]N[6]2H)2(CH3)2	H(C[6]N[6]2Si)	C[6](N[6]C[6]C)2(SiC[6]CC)(H){1|N<3>,4|H<1>}	Si(C[6]N[6]2H)2(CH3)2	H(C[6]N[6]2Si)	106.4220	0.219	2	106.4220	0.048	2	106.4220	0.048	2	106.1395	3.367	14	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	3:4:4:1:	4:4:4:4:	4:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H)	Si(C[6]C[5,6]C[6]H)(CH3)3	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(SiC3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	Si(C[6]C[5,6]C[6]H)(CH3)3	H(C[6]C[5,6]C[6]Si)	107.4520	0.000	1	107.4520	0.000	1	107.5515	0.020	2	107.5515	0.020	2	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	3:4:4:1:	4:4:4:4:	4:	C[5,6]-3:C[6]-4:Si-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H)	Si(C[6]C[5,6]C[6]H)(CH3)3	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(SiC3)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	Si(C[6]C[5,6]C[6]H)(CH3)3	H(C[6]C[5,6]C[6]Si)	107.6510	0.000	1	107.6510	0.000	1	107.5515	0.020	2	107.5515	0.020	2	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:Si-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H)	Si(C[6]C[6,6]C[6]H)(CH3)3	H(C[6]C[6,6]C[6]Si)	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H){2|C<3>,2|C<4>,2|H<1>}	Si(C[6]C[6,6]C[6]H)(CH3)3	H(C[6]C[6,6]C[6]Si)	103.5640	0.000	1	103.5640	0.000	1	104.9935	4.087	2	105.7368	2.233	4	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:3:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-3:Si-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H)	Si(C[6]C[6,6]C[6]H)(CH3)3	H(C[6]C[6,6]C[6]Si)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]H)(SiC3)(H){1|H<1>,4|C<3>}	Si(C[6]C[6,6]C[6]H)(CH3)3	H(C[6]C[6,6]C[6]Si)	106.4230	0.000	1	106.4230	0.000	1	104.9935	4.087	2	105.7368	2.233	4	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:3:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-3:Si-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)(H)	Si(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2Si)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SiC3)(H){1|C<3>,1|C<4>,2|H<1>}	Si(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2Si)	106.9290	0.000	1	106.9290	0.000	1	106.9290	0.000	1	105.7368	2.233	4	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:3:4:1:	4:4:4:4:	4:	N[6]-4:N[6]-3:Si-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](N[6]C[6]AlC)(N[6]C[6]C)(SiC3)(H)	Si(C[6]N[6]2H)(CAlHH)(CH3)2	H(C[6]N[6]2Si)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(SiC3)(H){1|N<3>,4|H<1>}	Si(C[6]N[6]2H)(CAlHH)(CH3)2	H(C[6]N[6]2Si)	106.0310	0.000	1	106.0310	0.000	1	106.0310	0.000	1	105.7368	2.233	4	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:3:1:	3:3:4:3:	4:	Si-4:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](SiC[6a]2C[6])(C[6]C[6]HH)(C[6]C[6]O)(H)	Si(C[6a]C[6a]2)2(C[6]C[6]2H)(C[6]C[6]2)	H(C[6]C[6]2Si)	C[6](SiC[6a]2C[6])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|H<1>}	Si(C[6a]C[6a]2)2(C[6]C[6]2H)(C[6]C[6]2)	H(C[6]C[6]2Si)	105.7160	0.000	1	105.7160	0.000	1	105.7160	0.000	1	105.7160	0.000	1	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:3:1:	3:4:4:4:	4:	C[6]-4:Si-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(SiC[6a]CC)(C[6]C[6]C)(H)	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)(SiC[6a]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2Si)	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2Si)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<2>,2|C<4>,2|H<1>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2Si)	106.5410	0.000	1	106.5410	0.000	1	105.2476	5.609	5	105.2476	5.609	5	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2Si)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<1>,2|H<1>,4|C<4>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2Si)	105.5160	0.000	1	105.5160	0.000	1	105.2476	5.609	5	105.2476	5.609	5	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2Si)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(SiC[6a]CC)(H){1|H<1>,1|O<1>,2|C<4>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2Si)	101.1120	0.000	1	101.1120	0.000	1	105.2476	5.609	5	105.2476	5.609	5	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2Si)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|H<1>,1|O<1>,2|C<4>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2Si)	106.9060	0.000	1	106.9060	0.000	1	105.2476	5.609	5	105.2476	5.609	5	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	3:4:4:4:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,4|H<1>}	Si(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(C[6]C[6]2Si)	106.1630	0.000	1	106.1630	0.000	1	105.2476	5.609	5	105.2476	5.609	5	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:1:1:1:	4:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H)	Si(C[6]Si[6]C[6]H)(Cl)3	H(C[6]Si[6]C[6]Si)	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H){2|Cl<1>,1|C<4>,2|H<1>}	Si(C[6]Si[6]C[6]H)(Cl)3	H(C[6]Si[6]C[6]Si)	104.3580	0.000	1	104.3580	0.000	1	104.3580	0.000	1	104.3580	0.000	1	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:O-2:O-2:Cl-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SiClOO)(H)	Si(C[6]C[6]2H)(OC)2(Cl)	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)2(SiClOO)(H){1|C<4>,4|H<1>}	Si(C[6]C[6]2H)(OC)2(Cl)	H(C[6]C[6]2Si)	103.5240	0.000	1	103.5240	0.000	1	103.5240	0.000	1	103.5240	0.000	1	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:2:2:2:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:O-2:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)2(SiO3)(H)	Si(C[6]C[6]2H)(OSb)3	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)2(SiO3)(H){1|C<4>,4|H<1>}	Si(C[6]C[6]2H)(OSb)3	H(C[6]C[6]2Si)	107.0040	0.000	1	107.0040	0.000	1	107.2834	0.456	16	107.2834	0.456	16	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:2:2:2:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:O-2:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)2(SiO3)(H)	Si(C[6]C[6]2H)(OSi)3	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)2(SiO3)(H){1|C<4>,4|H<1>}	Si(C[6]C[6]2H)(OSi)3	H(C[6]C[6]2Si)	107.3020	0.695	15	107.3020	0.483	15	107.2834	0.456	16	107.2834	0.456	16	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:3:2:2:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:O-3:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]HH)2(SiO3)(H)	Si(C[6]C[6]2H)(OOs2)(OSi)2	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)2(SiO3)(H){1|C<4>,4|H<1>}	Si(C[6]C[6]2H)(OOs2)(OSi)2	H(C[6]C[6]2Si)	104.8170	0.000	1	104.8170	0.000	1	104.8170	0.000	1	104.8170	0.000	1	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:3:3:4:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-3:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(SiC[6]2C)(H)	Si(C[6]C[6]2H)(C[6]C[6]2)2(CH3)	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)2(SiC[6]2C)(H){1|C<4>,4|H<1>}	Si(C[6]C[6]2H)(C[6]C[6]2)2(CH3)	H(C[6]C[6]2Si)	107.7332	0.732	4	107.7332	0.536	4	107.7332	0.536	4	107.7332	0.536	4	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6a]-3:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H)	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	H(C[6]C[5,6]C[6]Si)	105.4850	0.000	1	104.6837	0.482	3	105.5808	1.769	5	105.5808	1.769	5	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6a]-3:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H)	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(SiC[6a]CC)(H){2|C<4>,2|O<2>,4|H<1>}	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	H(C[6]C[5,6]C[6]Si)	104.2830	0.000	2	104.6837	0.482	3	105.5808	1.769	5	105.5808	1.769	5	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:3:4:4:	4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6a]-3:C-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H)	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(SiC[6a]CC)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	Si(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CH3)2	H(C[6]C[5,6]C[6]Si)	106.9265	0.275	2	106.9265	0.076	2	105.5808	1.769	5	105.5808	1.769	5	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C-4:Cl-1:Cl-1:	C[6]-4:	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H)	Si(C[6]Si[6]C[6]H)(CH3)(Cl)2	H(C[6]Si[6]C[6]Si)	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H){2|Cl<1>,1|C<4>,2|H<1>}	Si(C[6]Si[6]C[6]H)(CH3)(Cl)2	H(C[6]Si[6]C[6]Si)	105.4880	0.000	1	105.4880	0.000	1	105.4880	0.000	1	105.4880	0.000	1	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H)	Si(C[6]C[6]2H)(CCHH)(CCH)(H)	H(C[6]C[6]2Si)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	Si(C[6]C[6]2H)(CCHH)(CCH)(H)	H(C[6]C[6]2Si)	106.2990	0.000	1	106.2990	0.000	1	106.2990	0.000	1	106.2990	0.000	1	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(SiCCH)(H)	Si(C[6]C[6]2H)(CCHH)2(H)	H(C[6]C[6]2Si)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(SiCCH)(H){1|S<4>,2|C<3>}	Si(C[6]C[6]2H)(CCHH)2(H)	H(C[6]C[6]2Si)	107.5775	0.384	2	107.5775	0.147	2	107.5775	0.147	2	105.8145	5.865	4	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SiC[6]2Cl)(H)	Si(C[6]C[6]2H)3(Cl)	H(C[6]C[6]2Si)	C[6](C[6]C[6]HH)2(SiC[6]2Cl)(H){1|C<4>,4|H<1>}	Si(C[6]C[6]2H)3(Cl)	H(C[6]C[6]2Si)	104.0515	2.239	2	104.0515	5.015	2	104.0515	5.015	2	105.8145	5.865	4	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H)	Si(C[6]C[6]2H)(CC3)2(OH)	H(C[6]C[6]2Si)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SiCCO)(H){1|O<2>,2|C<4>,2|H<1>}	Si(C[6]C[6]2H)(CC3)2(OH)	H(C[6]C[6]2Si)	101.2750	0.000	1	101.2750	0.000	1	101.2750	0.000	1	101.2750	0.000	1	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H)	Si(C[6]C[5,6]C[6]H)(CH3)3	H(C[6]C[5,6]C[6]Si)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(SiC3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	Si(C[6]C[5,6]C[6]H)(CH3)3	H(C[6]C[5,6]C[6]Si)	105.4504	0.038	5	105.4504	0.001	5	105.4504	0.001	5	105.5342	0.043	6	106.2615	2.950	70	106.2615	2.950	70
466	880	951	0:SP3_SP-NON_SP3	C[6]	Si	H	4:4:4:1:	4:4:4:4:	4:	C[6,6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H)	Si(C[6]C[6,6]C[6]H)(CH3)3	H(C[6]C[6,6]C[6]Si)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(SiC3)(H){1|H<1>,1|O<2>,4|C<3>}	Si(C[6]C[6,6]C[6]H)(CH3)3	H(C[6]C[6,6]C[6]Si)	105.9530	0.000	1	105.9530	0.000	1	105.9530	0.000	1	105.5342	0.043	6	106.2615	2.950	70	106.2615	2.950	70
466	880	956	0:SP3_SP2_SP3	C[6]	Si	N	4:4:3:4:	4:4:4:4:	4:3:3:	Si[6]-4:C[6]-4:N-3:Si-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3)	Si(C[6]Si[6]C[6]N)(CH3)3	N(C[6]Si[6]C[6]Si)(C[6a]C[6a]2)2	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Si(C[6]Si[6]C[6]N)(CH3)3	N(C[6]Si[6]C[6]Si)(C[6a]C[6a]2)2	110.6645	0.275	2	110.6645	0.076	2	110.6645	0.076	2	110.6645	0.076	2	110.6645	0.076	2	110.6645	0.076	2
466	880	965	0:SP3_SP1_SP3	C[6]	Si	Si[6]	4:2:4:4:	4:4:4:4:	4:3:	C[6]-4:Si[6]-2:Si-4:Si-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:Si[6]-3:	C[6](C[6]C[6]HH)(Si[6]Si[6])(SiC3)2	Si(C[6]Si[6]C[6]Si)(CH3)3	Si[6](C[6]C[6]Si2)(Si[6]C[6]Si)	C[6](C[6]C[6]HH)(Si[6]Si[6])(SiC3)2{1|Si<4>,1|C<4>,2|H<1>}	Si(C[6]Si[6]C[6]Si)(CH3)3	Si[6](C[6]C[6]Si2)(Si[6]C[6]Si){2|Si<4>,1|C<4>,2|H<1>}	107.5940	3.096	2	107.5940	9.583	2	107.5940	9.583	2	107.5940	9.583	2	107.5940	9.583	2	107.5940	9.583	2
466	882	951	0:SP3_SP-NON_SP3	C[6]	P[4]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:P[4]-3:H-1:	P[4]-3:P[4]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	P[4](P[4]C[6]P[4])2(C[6]C[6]2H)	H(C[6]C[6]2P[4])	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|P<3>,3|C<4>,4|H<1>}	P[4](P[4]C[6]P[4])2(C[6]C[6]2H){6|H<1>,7|C<4>}	H(C[6]C[6]2P[4])	108.7650	0.867	5	108.9313	0.620	7	108.9313	0.620	7	108.9313	0.620	7	109.4182	1.758	15	109.4182	1.758	15
466	882	951	0:SP3_SP-NON_SP3	C[6]	P[4]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:P[4]-3:H-1:	P[4]-3:P[4]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	P[4](P[4]C[6]P[4])2(C[6]C[6]2H)	H(C[6]C[6]2P[4])	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|P<4>,3|C<4>,4|H<1>}	P[4](P[4]C[6]P[4])2(C[6]C[6]2H){1|Cl<1>,6|H<1>,7|C<4>}	H(C[6]C[6]2P[4])	109.0100	0.000	1	108.9313	0.620	7	108.9313	0.620	7	108.9313	0.620	7	109.4182	1.758	15	109.4182	1.758	15
466	882	951	0:SP3_SP-NON_SP3	C[6]	P[4]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:P[4]-3:H-1:	P[4]-3:P[4]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	P[4](P[4]C[6]P[4])2(C[6]C[6]2H)	H(C[6]C[6]2P[4])	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|P<4>,3|C<4>,4|H<1>}	P[4](P[4]C[6]P[4])2(C[6]C[6]2H){1|Cr<6>,6|H<1>,7|C<4>}	H(C[6]C[6]2P[4])	109.6840	0.000	1	108.9313	0.620	7	108.9313	0.620	7	108.9313	0.620	7	109.4182	1.758	15	109.4182	1.758	15
466	882	951	0:SP3_SP-NON_SP3	C[6]	P[4]	H	4:4:3:1:	4:3:4:	4:	C[6]-4:C[6]-4:P[4]-3:H-1:	P[4]-4:P[4]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	P[4](P[4]C[6]P[4]Cl)(P[4]C[6]P[4])(C[6]C[6]2H)	H(C[6]C[6]2P[4])	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|Cl<1>,1|P<3>,3|C<4>,4|H<1>}	P[4](P[4]C[6]P[4]Cl)(P[4]C[6]P[4])(C[6]C[6]2H){6|H<1>,7|C<4>}	H(C[6]C[6]2P[4])	109.3815	0.165	2	109.3815	0.027	2	109.8130	0.287	4	109.8130	0.287	4	109.4182	1.758	15	109.4182	1.758	15
466	882	951	0:SP3_SP-NON_SP3	C[6]	P[4]	H	4:4:3:1:	4:3:4:	4:	C[6]-4:C[6]-4:P[4]-3:H-1:	P[4]-4:P[4]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	P[4](P[4]C[6]P[4]Cr)(P[4]C[6]P[4])(C[6]C[6]2H)	H(C[6]C[6]2P[4])	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|Cr<6>,1|P<3>,3|C<4>,4|H<1>}	P[4](P[4]C[6]P[4]Cr)(P[4]C[6]P[4])(C[6]C[6]2H){6|H<1>,7|C<4>}	H(C[6]C[6]2P[4])	110.2445	0.298	2	110.2445	0.089	2	109.8130	0.287	4	109.8130	0.287	4	109.4182	1.758	15	109.4182	1.758	15
466	882	951	0:SP3_SP-NON_SP3	C[6]	P[4]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P[4]-3:H-1:	P[4]-4:P[4]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	P[4](P[4]C[6]P[4]C)2(C[6]C[6]2H)	H(C[6]C[6]2P[4])	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){1|P<3>,4|H<1>,5|C<4>}	P[4](P[4]C[6]P[4]C)2(C[6]C[6]2H){6|H<1>,7|C<4>}	H(C[6]C[6]2P[4])	110.2705	0.028	2	110.2705	0.001	2	109.8755	5.637	4	109.8755	5.637	4	109.4182	1.758	15	109.4182	1.758	15
466	882	951	0:SP3_SP-NON_SP3	C[6]	P[4]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P[4]-3:H-1:	P[4]-4:P[4]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H)	P[4](P[4]C[6]P[4]Cl)2(C[6]C[6]2H)	H(C[6]C[6]2P[4])	C[6](C[6]C[6]HH)2(P[4]P[4]2)(H){2|Cl<1>,1|P<3>,3|C<4>,4|H<1>}	P[4](P[4]C[6]P[4]Cl)2(C[6]C[6]2H){6|H<1>,7|C<4>}	H(C[6]C[6]2P[4])	109.4805	4.035	2	109.4805	16.285	2	109.8755	5.637	4	109.8755	5.637	4	109.4182	1.758	15	109.4182	1.758	15
466	887	930	0:SP3_SP2_SP3	C[6]	S	C	4:4:3:3:	4:4:1:	4:2:1:	C[6]-4:C[6]-4:C-3:S-3:	C[6]-4:C-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(SCO)	S(C[6]C[6]2C)(CH3)(O)	C(C[6]C[6]2S)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(COO)(SCO){1|C<3>,1|C<4>,3|H<1>}	S(C[6]C[6]2C)(CH3)(O)	C(C[6]C[6]2S)(OC)(O)	107.1650	0.000	1	107.1650	0.000	1	107.1650	0.000	1	107.1650	0.000	1	107.1650	0.000	1	107.1650	0.000	1
466	887	951	0:SP3_SP-NON_SP3	C[6]	S	H	3:4:3:1:	4:4:1:	4:	N[5,6]-3:C[6]-4:S-3:H-1:	C[6]-4:C-4:O-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H)	S(C[6]N[5,6]C[6]H)(CH3)(O)	H(C[6]N[5,6]C[6]S)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	S(C[6]N[5,6]C[6]H)(CH3)(O)	H(C[6]N[5,6]C[6]S)	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	108.3367	4.978	21	108.3367	4.978	21
466	887	951	0:SP3_SP-NON_SP3	C[6]	S	H	4:2:3:1:	4:4:1:	4:	C[3,6]-4:O[6]-2:S-3:H-1:	C[6]-4:C[3x6]-4:O-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6,6])(SC[3x6]O)(H)	S(C[6]C[3,6]O[6]H)(C[3x6]C[6,6]3)(O)	H(C[6]C[3,6]O[6]S)	C[6](C[3,6]C[3,6]O[3]H)(O[6]C[6,6])(SC[3x6]O)(H){2|C<4>,2|H<1>}	S(C[6]C[3,6]O[6]H)(C[3x6]C[6,6]3)(O)	H(C[6]C[3,6]O[6]S)	109.5990	0.000	1	109.5990	0.000	1	109.5990	0.000	1	110.2534	0.704	5	108.3367	4.978	21	108.3367	4.978	21
466	887	951	0:SP3_SP-NON_SP3	C[6]	S	H	4:2:3:1:	4:4:1:	4:	C[6]-4:O[6]-2:S-3:H-1:	C[3x6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[3x6]O)(H)	S(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)(O)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SC[3x6]O)(H){1|O<2>,2|C<4>,2|H<1>}	S(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)(O)	H(C[6]C[6]O[6]S)	111.0960	0.652	2	111.0960	0.425	2	111.0960	0.425	2	110.2534	0.704	5	108.3367	4.978	21	108.3367	4.978	21
466	887	951	0:SP3_SP-NON_SP3	C[6]	S	H	4:2:3:1:	4:4:1:	4:	C[6]-4:O[6]-2:S-3:H-1:	C[6]-4:C-4:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(SCO)(H)	S(C[6]C[6]O[6]H)(CCHH)(O)	H(C[6]C[6]O[6]S)	C[6](C[6]C[6]HO)(O[6]C[6,6])(SCO)(H){1|O<2>,2|C<4>,2|H<1>}	S(C[6]C[6]O[6]H)(CCHH)(O)	H(C[6]C[6]O[6]S)	109.7380	0.109	2	109.7380	0.012	2	109.7380	0.012	2	110.2534	0.704	5	108.3367	4.978	21	108.3367	4.978	21
466	887	951	0:SP3_SP-NON_SP3	C[6]	S	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:S-3:H-1:	C[6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(SC[6a]O)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]O)(SC[6a]O)(H){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	H(C[6]C[6]2S)	107.6140	0.000	1	107.6140	0.000	1	108.9647	1.371	3	108.9647	1.371	3	108.3367	4.978	21	108.3367	4.978	21
466	887	951	0:SP3_SP-NON_SP3	C[6]	S	H	4:3:3:1:	3:4:1:	4:	C[6]-4:C[6]-3:S-3:H-1:	C[6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(SC[6a]O)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	H(C[6]C[6]2S)	C[6](C[6]N[6]CH)(C[6]C[6]H)(SC[6a]O)(H){1|C<4>,1|H<1>,1|S<4>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	H(C[6]C[6]2S)	109.6400	0.076	2	109.6400	0.006	2	108.9647	1.371	3	108.9647	1.371	3	108.3367	4.978	21	108.3367	4.978	21
466	887	951	0:SP3_SP-NON_SP3	C[6]	S	H	4:4:3:1:	3:4:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[5a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SC[5a]O)(H)	S(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SC[5a]O)(H){1|C<4>,4|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(O)	H(C[6]C[6]2S)	108.5497	0.525	9	108.5497	0.276	9	108.5497	0.276	9	107.8365	3.524	11	108.3367	4.978	21	108.3367	4.978	21
466	887	951	0:SP3_SP-NON_SP3	C[6]	S	H	4:4:3:1:	3:4:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(SC[6a]O)(H){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	H(C[6]C[6]2S)	102.6450	0.000	1	102.6450	0.000	1	104.6270	7.857	2	107.8365	3.524	11	108.3367	4.978	21	108.3367	4.978	21
466	887	951	0:SP3_SP-NON_SP3	C[6]	S	H	4:4:3:1:	3:4:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6a]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]O)(H){1|C<4>,4|H<1>}	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)	H(C[6]C[6]2S)	106.6090	0.000	1	106.6090	0.000	1	104.6270	7.857	2	107.8365	3.524	11	108.3367	4.978	21	108.3367	4.978	21
466	887	951	0:SP3_SP-NON_SP3	C[6]	S	H	4:4:3:1:	4:2:1:	4:	C[6]-4:C[6]-4:S-3:H-1:	C[6]-4:O-2:O-1:	C[6]-4:	C[6](C[6]C[6]HH)2(SOO)(H)	S(C[6]C[6]2H)(OC[5])(O)	H(C[6]C[6]2S)	C[6](C[6]C[6]HH)2(SOO)(H){1|C<4>,4|H<1>}	S(C[6]C[6]2H)(OC[5])(O)	H(C[6]C[6]2S)	102.3000	0.000	1	102.3000	0.000	1	102.3000	0.000	1	102.3000	0.000	1	108.3367	4.978	21	108.3367	4.978	21
466	890	951	0:SP3_SP-NON_SP3	C[6]	As	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:As-4:H-1:	C[6]-4:C[6]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6]C[6]HH)2(AsC[6]2Cl)(H)	As(C[6]C[6]2H)3(Cl)	H(C[6]C[6]2As)	C[6](C[6]C[6]HH)2(AsC[6]2Cl)(H){1|C<4>,4|H<1>}	As(C[6]C[6]2H)3(Cl)	H(C[6]C[6]2As)	106.7983	0.530	3	106.7983	0.281	3	106.7983	0.281	3	106.7983	0.281	3	106.7983	0.281	3	106.7983	0.281	3
466	892	930	0:SP3_SP2_SP3	C[6]	N	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NH3)(COO)	N(C[6]C[6]2C)(H)3	C(C[6]C[6]2N)(O)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NH3)(COO){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[6]2C)(H)3	C(C[6]C[6]2N)(O)2	106.4880	0.000	1	106.4880	0.000	1	106.8815	0.310	2	106.8815	0.310	2	105.5416	1.139	8	105.5416	1.139	8
466	892	930	0:SP3_SP2_SP3	C[6]	N	C	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(NH3)(COO)	N(C[6]C[6]2C)(H)3	C(C[6]C[6]2N)(O)2	C[6](C[6]C[6]HH)2(NH3)(COO){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(H)3	C(C[6]C[6]2N)(O)2	107.2750	0.000	1	107.2750	0.000	1	106.8815	0.310	2	106.8815	0.310	2	105.5416	1.139	8	105.5416	1.139	8
466	892	930	0:SP3_SP2_SP3	C[6]	N	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO)	N(C[6]C[6]2C)(H)3	C(C[6]C[6]2N)(NH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(H)3	C(C[6]C[6]2N)(NH)(O)	105.8360	0.000	1	105.8360	0.000	1	105.8360	0.000	1	105.5605	0.152	2	105.5416	1.139	8	105.5416	1.139	8
466	892	930	0:SP3_SP2_SP3	C[6]	N	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)2(NH3)(COO)	N(C[6]C[6]2C)(H)3	C(C[6]C[6]2N)(OH)(O)	C[6](C[6]C[6]HH)2(NH3)(COO){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(H)3	C(C[6]C[6]2N)(OH)(O)	105.2850	0.000	1	105.2850	0.000	1	105.2850	0.000	1	105.5605	0.152	2	105.5416	1.139	8	105.5416	1.139	8
466	892	930	0:SP3_SP2_SP3	C[6]	N	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO)	N(C[6]C[6]2C)(H)3	C(C[6]C[6]2N)(NHH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(H)3	C(C[6]C[6]2N)(NHH)(O)	104.5160	0.563	3	104.5160	0.317	3	104.5160	0.317	3	104.5160	0.317	3	105.5416	1.139	8	105.5416	1.139	8
466	892	930	0:SP3_SP2_SP3	C[6]	N	C	4:4:4:3:	4:4:4:1:	4:2:1:	C[6]-4:C[6]-4:N-4:C-3:	C[6]-4:C-4:C-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)2(NCCH)(COO)	N(C[6]C[6]2C)(CCHH)2(H)	C(C[6]C[6]2N)(OH)(O)	C[6](C[6]C[6]HH)2(NCCH)(COO){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(CCHH)2(H)	C(C[6]C[6]2N)(OH)(O)	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	105.5416	1.139	8	105.5416	1.139	8
466	892	951	0:SP3_SP-NON_SP3	C[6,6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NH3)(H)	N(C[6,6]C[3x6]2H)(H)3	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NH3)(H){1|Ge<6>,1|C<4>,2|H<1>,2|N<4>}	N(C[6,6]C[3x6]2H)(H)3	H(C[6,6]C[3x6]2N)	108.7267	0.467	6	108.7267	0.218	6	108.7267	0.218	6	108.0931	0.626	15	108.1046	0.587	16	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6,6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H)	N(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NH3)(H){1|H<1>,4|C<3>}	N(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]N)	108.4447	0.146	3	108.4447	0.021	3	107.6707	0.458	9	108.0931	0.626	15	108.1046	0.587	16	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6,6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H)	N(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H){2|C<4>,5|H<1>}	N(C[6,6]C[3x6]C[6,6]H)(H)3	H(C[6,6]C[3x6]C[6,6]N)	107.2837	0.430	6	107.2837	0.185	6	107.6707	0.458	9	108.0931	0.626	15	108.1046	0.587	16	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6,6]	N	H	4:4:4:1:	4:4:4:1:	4:	C[3x6]-4:C[3x6]-4:N-4:H-1:	C[6,6]-4:C-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCCH)(H)	N(C[6,6]C[3x6]2H)(CH3)2(H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCCH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N(C[6,6]C[3x6]2H)(CH3)2(H)	H(C[6,6]C[3x6]2N)	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	108.1046	0.587	16	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-3:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(NCHH)(H)	N(C[6]C[6]2H)(CCCH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]H)2(NCHH)(H){1|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCCH)(H)2	H(C[6]C[6]2N)	109.0030	0.000	1	109.0030	0.000	1	109.0030	0.000	1	109.0030	0.000	1	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	3:4:4:1:	4:1:1:1:	4:	C[5a,6]-3:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NH3)(H)	N(C[6]C[5a,6]C[6]H)(H)3	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NH3)(H){1|N<2>,2|H<1>,3|C<3>}	N(C[6]C[5a,6]C[6]H)(H)3	H(C[6]C[5a,6]C[6]N)	108.2125	0.452	2	108.2125	0.204	2	108.2125	0.204	2	108.2125	0.204	2	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	3:4:4:1:	4:4:1:1:	4:	C[5a,6]-3:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCHH)(H)	N(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCHH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	N(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(C[6]C[5a,6]C[6]N)	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	107.9805	2.273	6	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	3:4:4:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:N-4:H-1:	C-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H)	N(CC[5x3,5x5,20x6]HH)(C[6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N(CC[5x3,5x5,20x6]HH)(C[6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]C[6]N)	107.1410	0.000	1	107.1410	0.000	1	107.1410	0.000	1	107.9805	2.273	6	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H)	N(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(C[6]C[6,6a]C[6]N)	109.3405	2.385	2	109.3405	5.689	2	108.3522	3.229	4	107.9805	2.273	6	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	3:4:4:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H)	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H){1|S<4>,2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	H(C[6]C[6,6a]C[6]N)	107.3640	0.303	2	107.3640	0.092	2	108.3522	3.229	4	107.9805	2.273	6	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	3:4:4:1:	4:4:4:1:	4:	C[5a,6]-3:C[6,6]-4:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCCH)(H)	N(C[6]C[5a,6]C[6,6]H)(CH3)2(H)	H(C[6]C[5a,6]C[6,6]N)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCCH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N(C[6]C[5a,6]C[6,6]H)(CH3)2(H)	H(C[6]C[5a,6]C[6,6]N)	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H)	N(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	N(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]N)	104.8900	0.208	2	101.3598	10.396	5	101.3598	10.396	5	101.3598	10.396	5	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H)	N(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCCH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6,6]C[6]H)(CH3)2(H)	H(C[6]C[6,6]C[6]N)	99.0063	0.000	3	101.3598	10.396	5	101.3598	10.396	5	101.3598	10.396	5	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NH3)(H)	N(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NH3)(H){1|C<4>,2|H<1>,4|C<3>}	N(C[6]C[6,6]C[6]H)(H)3	H(C[6]C[6,6]C[6]N)	107.8520	0.000	1	107.8520	0.000	1	107.8520	0.000	1	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HH)2(NH3)(H){1|N<4>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	106.5880	0.000	1	106.5880	0.000	1	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	104.9880	0.000	1	104.9880	0.000	1	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]S[6]HH)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6]S[6]HH)(NH3)(H){2|C<3>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	108.6845	0.073	2	108.6845	0.005	2	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NH3)(H){2|C<3>,2|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	108.4930	0.000	1	108.4930	0.000	1	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H){1|C<3>,3|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	108.1995	0.940	2	108.0725	0.511	4	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NH3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	107.9455	0.764	2	108.0725	0.511	4	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	108.4430	1.251	43	108.4034	1.447	47	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NH3)(H){1|H<1>,1|O<2>,2|C<3>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	107.9780	0.125	4	108.4034	1.447	47	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	109.0430	0.000	1	108.6908	0.189	13	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	108.6058	0.583	4	108.6908	0.189	13	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	108.7680	0.431	6	108.6908	0.189	13	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	108.4535	0.149	2	108.6908	0.189	13	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	108.0670	0.000	1	109.0907	3.959	4	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	109.4320	2.289	3	109.0907	3.959	4	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(NH3)(H){1|F<1>,1|H<1>,1|P<4>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	107.5090	0.000	2	107.5090	0.000	2	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(NH3)(H){1|C<3>,1|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	108.5710	0.385	4	108.5710	0.148	4	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	108.6430	0.000	1	107.8441	4.924	140	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,2|H<1>,2|N<4>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	108.8145	0.426	4	107.8441	4.924	140	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	107.8705	2.244	127	107.8441	4.924	140	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|N<4>,4|C<4>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	107.5200	2.961	3	107.8441	4.924	140	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){1|O<2>,4|H<1>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	107.2220	1.680	2	107.8441	4.924	140	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH3)(H){5|C<4>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	105.9070	2.450	3	107.8441	4.924	140	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	104.4890	0.000	1	104.4890	0.000	1	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NH3)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	108.3940	0.000	1	108.3940	0.000	1	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NH3)(H){1|C<4>,2|H<1>,2|N<3>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	106.7840	1.841	2	106.7840	3.390	2	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(NH3)(H)	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(NH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2H)(H)3	H(C[6]C[6]2N)	108.8060	0.000	1	108.8060	0.000	1	108.0213	3.688	224	108.0205	3.672	225	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHHO)(H)	N(C[6]C[6]2H)(OB[6a])(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHHO)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(OB[6a])(H)2	H(C[6]C[6]2N)	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H)	N(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	N(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2N)	107.9540	0.000	1	107.9540	0.000	1	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H)	N(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCHH)(H){2|C<3>,2|H<1>}	N(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2N)	108.1097	0.355	4	108.1097	0.126	4	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)2	H(C[6]C[6]2N)	107.7705	0.087	2	107.7705	0.008	2	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)2	H(C[6]C[6]2N)	108.9810	0.000	1	108.9810	0.000	1	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	N(C[6]C[6]2H)(CCCH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCCH)(H)2	H(C[6]C[6]2N)	107.9430	0.145	3	107.9430	0.021	3	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	N(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2N)	108.2957	0.346	8	108.2957	0.120	8	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	N(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2N)	108.8124	0.499	7	108.8124	0.249	7	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)2	H(C[6]C[6]2N)	106.6790	2.568	5	106.6790	6.594	5	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	N(C[6]C[6]2H)(CCCH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCCH)(H)2	H(C[6]C[6]2N)	108.3800	0.000	1	108.3800	0.000	1	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]CH)(H)2	H(C[6]C[6]2N)	108.6370	0.000	1	108.6370	0.000	1	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)2	H(C[6]C[6]2N)	107.1860	0.000	1	107.1860	0.000	1	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCHH)(H)	N(C[6]C[6]2H)(CCCH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCCH)(H)2	H(C[6]C[6]2N)	108.4010	0.000	1	108.4010	0.000	1	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCHH)(H)	N(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,2|H<1>,2|N<4>}	N(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2N)	108.3293	0.092	3	108.1862	0.778	18	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCHH)(H)	N(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)(H)2	H(C[6]C[6]2N)	108.1576	0.969	15	108.1862	0.778	18	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCHH)(H)	N(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]HH)(H)2	H(C[6]C[6]2N)	108.9060	0.000	1	108.9060	0.000	1	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCHH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(H)2	H(C[6]C[6]2N)	108.4495	0.476	6	108.4495	0.226	6	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCHH)(H)	N(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCHH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)(H)2	H(C[6]C[6]2N)	108.3227	0.206	3	108.3227	0.043	3	108.1701	0.988	63	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]HH)(H)	N(C[6]C[6]2H)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]HH)(H){1|C<3>,4|H<1>}	N(C[6]C[6]2H)2(H)2	H(C[6]C[6]2N)	109.1390	0.000	1	108.4013	0.353	160	108.4013	0.353	160	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]HH)(H)	N(C[6]C[6]2H)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]HH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(H)2	H(C[6]C[6]2N)	108.3891	0.588	158	108.4013	0.353	160	108.4013	0.353	160	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]HH)(H)	N(C[6]C[6]2H)2(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]HH)(H){1|N<3>,4|C<4>}	N(C[6]C[6]2H)2(H)2	H(C[6]C[6]2N)	109.5920	0.000	1	108.4013	0.353	160	108.4013	0.353	160	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:S-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NHHS)(H)	N(C[6]C[6]2H)(SO3)(H)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NHHS)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SO3)(H)2	H(C[6]C[6]2N)	108.2380	0.000	1	108.2380	0.000	1	108.2380	0.000	1	108.3356	0.538	224	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H)	N(C[6]C[6]2H)(CC[6a]HH)2(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2(H)	H(C[6]C[6]2N)	106.0340	0.000	1	106.0340	0.000	1	106.8765	1.830	15	106.9814	1.753	17	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	N(C[6]C[6]2H)(CCHH)2(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)2(H)	H(C[6]C[6]2N)	107.6830	0.000	1	107.6830	0.000	1	106.8765	1.830	15	106.9814	1.753	17	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	H(C[6]C[6]2N)	106.7520	0.000	1	106.7520	0.000	1	106.8765	1.830	15	106.9814	1.753	17	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	H(C[6]C[6]2N)	104.0060	0.000	1	104.0060	0.000	1	106.8765	1.830	15	106.9814	1.753	17	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	N(C[6]C[6]2H)(CC[6a]HH)2(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)2(H)	H(C[6]C[6]2N)	107.4510	0.078	2	107.4510	0.006	2	106.8765	1.830	15	106.9814	1.753	17	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H)	N(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2N)	107.1330	0.000	1	107.1330	0.000	1	106.8765	1.830	15	106.9814	1.753	17	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H)	N(C[6]C[6]2H)(CCHH)2(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCHH)2(H)	H(C[6]C[6]2N)	107.3350	0.000	1	107.3350	0.000	1	106.8765	1.830	15	106.9814	1.753	17	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCCH)(H)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	H(C[6]C[6]2N)	107.8240	0.000	1	107.8240	0.000	1	106.8765	1.830	15	106.9814	1.753	17	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCCH)(H)	N(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCCH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2N)	106.5456	1.589	5	106.9130	2.830	6	106.8765	1.830	15	106.9814	1.753	17	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NCCH)(H)	N(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NCCH)(H){1|N<3>,4|H<1>}	N(C[6]C[6]2H)(CH3)2(H)	H(C[6]C[6]2N)	108.7500	0.000	1	106.9130	2.830	6	106.8765	1.830	15	106.9814	1.753	17	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6]CH)(H)	N(C[6]C[6]2H)2(CHHP)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6]CH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)2(CHHP)(H)	H(C[6]C[6]2N)	107.7685	1.018	2	107.7685	1.035	2	107.7685	1.035	2	106.9814	1.753	17	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H)	N(C[6]C[6]2H)(CCHH)3	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H){1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(CCHH)3	H(C[6]C[6]2N)	106.3290	0.006	2	106.3290	0.000	2	106.9870	0.677	9	106.9870	0.677	9	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H)	N(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC3)(H){2|C<4>,3|H<1>}	N(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2N)	107.2370	0.000	2	107.2370	0.000	2	106.9870	0.677	9	106.9870	0.677	9	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H)	N(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC3)(H){1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2N)	105.4600	0.000	1	105.4600	0.000	1	106.9870	0.677	9	106.9870	0.677	9	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC3)(H)	N(C[6]C[6]2H)(CCHH)(CH3)2	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC3)(H){1|N<3>,4|C<4>}	N(C[6]C[6]2H)(CCHH)(CH3)2	H(C[6]C[6]2N)	107.7653	0.371	3	107.7653	0.137	3	106.9870	0.677	9	106.9870	0.677	9	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	4:4:4:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC3)(H)	N(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC3)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CH3)3	H(C[6]C[6]2N)	106.9950	0.000	1	106.9950	0.000	1	106.9870	0.677	9	106.9870	0.677	9	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	6:4:4:1:	4:4:1:1:	4:	B[5x3,5x5,21x6]-6:C[6]-4:N-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCHH)(H)	N(C[6]B[5x3,5x5,21x6]C[6]H)(CC3)(H)2	H(C[6]B[5x3,5x5,21x6]C[6]N)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCHH)(H){1|C<4>,5|B<6>,6|H<1>}	N(C[6]B[5x3,5x5,21x6]C[6]H)(CC3)(H)2	H(C[6]B[5x3,5x5,21x6]C[6]N)	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	108.0403	2.657	493	108.0423	2.590	509
466	892	951	0:SP3_SP-NON_SP3	C[6]	N	H	6:4:4:1:	4:4:4:1:	4:	B[5x3,5x5,21x6]-6:C[6]-4:N-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCCH)(H)	N(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)2(H)	H(C[6]B[5x3,5x5,21x6]C[6]N)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(NCCH)(H){1|C<4>,5|B<6>,6|H<1>}	N(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)2(H)	H(C[6]B[5x3,5x5,21x6]C[6]N)	105.9480	0.000	1	105.9480	0.000	1	105.9480	0.000	1	105.9480	0.000	1	108.0403	2.657	493	108.0423	2.590	509
466	892	983	0:SP3_SP1_SP3	C[6]	N	C	4:4:4:2:	4:1:1:1:	4:2:	C[6]-4:C[6]-4:N-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(NH3)(CC)	N(C[6]C[6]2C)(H)3	C(C[6]C[6]2N)(CH)	C[6](C[6]C[6]HH)2(NH3)(CC){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(H)3	C(C[6]C[6]2N)(CH)	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1
466	893	893	0:SP3_SP2_SP2	C[6]	O	O	3:3:2:2:	3:4:	3:4:	C[6]-3:C[6]-3:O-2:O-2:	C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:	C[6](C[6]C[6,6a]O)2(OC[6a])2	O(C[6a]C[6a]2)(C[6]C[6]2O)	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6](C[6]C[6,6a]O)2(OC[6a])2{3|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2O)	O(C[6a]C[6a]2)(C[6]C[6]2O)	114.2930	0.000	1	114.2930	0.000	1	114.2930	0.000	1	114.2930	0.000	1	105.1914	69.757	4	105.1914	69.757	4
466	893	893	0:SP3_SP2_SP2	C[6]	O	O	3:3:2:2:	4:3:	4:3:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-4:C-3:	C[6]-4:C-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2	O(C[6]C[6]2O)(CCO)	O(C[6]C[6]2O)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2O)(CCO)	O(C[6]C[6]2O)(CCO)	98.0502	0.000	1	98.0994	0.005	2	98.0994	0.005	2	98.0994	0.005	2	105.1914	69.757	4	105.1914	69.757	4
466	893	893	0:SP3_SP2_SP2	C[6]	O	O	3:3:2:2:	4:3:	4:3:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-4:C-3:	C[6]-4:C-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2	O(C[6]C[6]2O)(CCO)	O(C[6]C[6]2O)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,2|H<1>}	O(C[6]C[6]2O)(CCO)	O(C[6]C[6]2O)(CCO)	98.1485	0.000	1	98.0994	0.005	2	98.0994	0.005	2	98.0994	0.005	2	105.1914	69.757	4	105.1914	69.757	4
466	893	893	0:SP3_SP2_SP2	C[6]	O	O	4:4:2:2:	3:4:	3:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])2	O(C[6a]C[6a]2)(C[6]C[6]2O)	O(C[6a]C[6a]2)(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6a])2{1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2O)	O(C[6a]C[6a]2)(C[6]C[6]2O)	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	105.1914	69.757	4	105.1914	69.757	4
466	893	893	0:SP3_SP2_SP3	C[6]	O	O	4:3:2:2:	3:4:	4:1:	C[6]-4:C[6]-3:O-2:O-2:	C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC[6a])(OH)	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2O)	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC[6a])(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2O)	O(C[6]C[6]2O)(H)	110.0360	0.000	1	110.0360	0.000	1	110.0360	0.000	1	110.0360	0.000	1	109.8197	0.160	4	109.8197	0.160	4
466	893	893	0:SP3_SP2_SP3	C[6]	O	O	4:3:2:2:	3:4:	4:4:	C[6]-4:C[6]-3:O-2:O-2:	C[6a]-3:C[6]-4:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC[6a])(OSi)	O(C[6a]C[6a]2)(C[6]C[6]2O)	O(C[6]C[6]2O)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC[6a])(OSi){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2O)	O(C[6]C[6]2O)(SiC3)	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	109.8197	0.160	4	109.8197	0.160	4
466	893	893	0:SP3_SP2_SP3	C[6]	O	O	4:4:2:2:	4:3:	4:4:	C[6,6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-3:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)2	O(C[6]C[6,6]C[6]O)(CCO)	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]BrH)(OC)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[6]C[6,6]C[6]O)(CCO)	O(C[6]C[6,6]C[6]O)(CH3)	109.4885	0.118	2	109.4885	0.014	2	109.4885	0.014	2	109.4885	0.014	2	109.8197	0.160	4	109.8197	0.160	4
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:3:2:2:	4:1:	4:1:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(OH)2	O(C[6,6]C[3x6]C[6,6]O)(H)	O(C[6,6]C[3x6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]O)(OH)2{2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(H)	O(C[6,6]C[3x6]C[6,6]O)(H)	112.8907	0.854	3	112.8907	0.729	3	112.8907	0.729	3	112.8907	0.729	3	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:3:2:2:	4:4:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(OC)2	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(OC)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	112.1470	0.000	1	112.1470	0.000	1	112.2781	0.420	16	112.0516	2.216	21	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:3:2:2:	4:4:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(OC)2	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(OC)2{1|C<4>,2|C<3>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	112.7750	0.000	1	112.7750	0.000	1	112.2781	0.420	16	112.0516	2.216	21	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:3:2:2:	4:4:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	113.2070	0.000	1	112.6650	0.276	3	112.2781	0.420	16	112.0516	2.216	21	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:3:2:2:	4:4:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|C<4>,2|H<1>,3|C<3>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	112.1570	0.000	1	112.6650	0.276	3	112.2781	0.420	16	112.0516	2.216	21	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:3:2:2:	4:4:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(OC)2{1|I<1>,2|C<3>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	112.6310	0.000	1	112.6650	0.276	3	112.2781	0.420	16	112.0516	2.216	21	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:3:2:2:	4:4:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2{1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	112.1465	0.304	6	112.0574	0.133	7	112.2781	0.420	16	112.0516	2.216	21	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:3:2:2:	4:4:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(OC)2{1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	111.5230	0.000	1	112.0574	0.133	7	112.2781	0.420	16	112.0516	2.216	21	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:3:2:2:	4:4:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]O)(OC)2{3|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	111.8040	0.758	3	111.8040	0.575	3	112.2781	0.420	16	112.0516	2.216	21	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:3:2:2:	4:4:	4:4:	C[3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(OC)2	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(OC)2{1|O<2>,2|C<3>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	113.7180	0.000	1	113.7180	0.000	1	112.2781	0.420	16	112.0516	2.216	21	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:3:2:2:	4:4:	4:4:	C[5,3x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(OC)2	O(C[6,6]C[5,3x6]C[6,6]O)(CH3)	O(C[6,6]C[5,3x6]C[6,6]O)(CH3)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(OC)2{2|C<4>,3|C<3>,3|H<1>}	O(C[6,6]C[5,3x6]C[6,6]O)(CH3)	O(C[6,6]C[5,3x6]C[6,6]O)(CH3)	109.2140	4.240	2	109.2140	17.976	2	109.2140	17.976	2	112.0516	2.216	21	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:3:2:2:	4:4:	4:4:	C[5,4x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]O)(OC)2	O(C[6,6]C[5,4x6]C[6,6]O)(CH3)	O(C[6,6]C[5,4x6]C[6,6]O)(CH3)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]O)(OC)2{1|C<3>,4|C<4>,4|H<1>}	O(C[6,6]C[5,4x6]C[6,6]O)(CH3)	O(C[6,6]C[5,4x6]C[6,6]O)(CH3)	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	112.0516	2.216	21	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:3:2:2:	4:4:	4:4:	C[6x6]-4:C[6,6]-3:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[6x6]C[4,5x6]C[6x6]H)(C[6,6]C[4,3x6]O)(OC)2	O(C[6,6]C[6,6]C[6x6]O)(CH3)	O(C[6,6]C[6,6]C[6x6]O)(CH3)	C[6,6](C[6x6]C[4,5x6]C[6x6]H)(C[6,6]C[4,3x6]O)(OC)2{1|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[6,6]C[6x6]O)(CH3)	O(C[6,6]C[6,6]C[6x6]O)(CH3)	113.2495	0.359	2	113.2495	0.129	2	113.2495	0.129	2	112.0516	2.216	21	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:1:	4:1:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-1:	C[6,6]-4:C-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2	O(C[6,6]C[3x6]C[6,6]O)(C)	O(C[6,6]C[3x6]C[6,6]O)(C)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(C)	O(C[6,6]C[3x6]C[6,6]O)(C)	111.3030	0.000	1	111.3030	0.000	1	111.3030	0.000	1	112.1831	1.464	9	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:1:	4:1:	C[3x6]-4:N[3x6]-4:O-2:O-2:	C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2	O(C[6,6]C[3x6]N[3x6]O)(H)	O(C[6,6]C[3x6]N[3x6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2{2|C<4>,8|H<1>}	O(C[6,6]C[3x6]N[3x6]O)(H)	O(C[6,6]C[3x6]N[3x6]O)(H)	114.1150	0.000	1	114.1150	0.000	1	114.1150	0.000	1	112.1831	1.464	9	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:1:	4:1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OH)2	O(C[6,6]C[6,6]2O)(H)	O(C[6,6]C[6,6]2O)(H)	C[6,6](C[6,6]C[6]2C)2(OH)2{2|C<3>,2|N<4>,6|H<1>}	O(C[6,6]C[6,6]2O)(H)	O(C[6,6]C[6,6]2O)(H)	112.0329	1.084	7	112.0329	1.174	7	112.0329	1.174	7	112.1831	1.464	9	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:2:	4:2:	C[3x6]-4:C[3x6]-4:O-2:O-2:	C[6,6]-4:O-2:	C[6,6]-4:O-2:	C[6,6](C[3x6]C[6,6]2H)2(OO)2	O(C[6,6]C[3x6]2O)(OC)	O(C[6,6]C[3x6]2O)(OC)	C[6,6](C[3x6]C[6,6]2H)2(OO)2{2|C<4>,8|H<1>}	O(C[6,6]C[3x6]2O)(OC)	O(C[6,6]C[3x6]2O)(OC)	110.3777	0.342	4	110.3777	0.117	4	110.3777	0.117	4	110.3777	0.117	4	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2C)2(OC)(OH)	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(H)	C[6,6](C[6,6]C[6]2C)2(OC)(OH){2|C<3>,2|N<4>,6|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(H)	112.5487	0.120	3	112.5487	0.014	3	112.5487	0.014	3	112.5487	0.014	3	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)2{1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	111.6960	0.000	1	111.6960	0.000	1	110.7177	1.197	4	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[3x6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(OC)2{3|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]O)(CH3)	O(C[6,6]C[3x6]C[6,6]O)(CH3)	110.3917	1.076	3	110.3917	1.158	3	110.7177	1.197	4	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[4,6,6]-4:C[5,6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[4,6,6]C[4,6]O[4,6]H)(C[5,6,6]C[5,4x6]O[5]H)(OC)2	O(C[6,6]C[4,6,6]C[5,6,6]O)(CH3)	O(C[6,6]C[4,6,6]C[5,6,6]O)(CH3)	C[6,6](C[4,6,6]C[4,6]O[4,6]H)(C[5,6,6]C[5,4x6]O[5]H)(OC)2{2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[4,6,6]C[5,6,6]O)(CH3)	O(C[6,6]C[4,6,6]C[5,6,6]O)(CH3)	112.7500	0.000	1	112.7500	0.000	1	112.7500	0.000	1	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[5,4x6]-4:C[3,6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(OC)2	O(C[6,6]C[3,6,6]C[5,4x6]O)(CH3)	O(C[6,6]C[3,6,6]C[5,4x6]O)(CH3)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(OC)2{1|C<3>,4|C<4>,6|H<1>}	O(C[6,6]C[3,6,6]C[5,4x6]O)(CH3)	O(C[6,6]C[3,6,6]C[5,4x6]O)(CH3)	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OC)2	O(C[6,6]C[6,6]2O)(CCHH)	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OC)2{3|C<3>,6|H<1>}	O(C[6,6]C[6,6]2O)(CCHH)	O(C[6,6]C[6,6]2O)(CCHH)	112.3780	0.000	1	112.3780	0.000	1	111.6671	0.310	14	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2H)2(OC)2	O(C[6,6]C[6,6]2O)(CCHH)	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]2H)2(OC)2{2|N<3>,8|H<1>}	O(C[6,6]C[6,6]2O)(CCHH)	O(C[6,6]C[6,6]2O)(CCHH)	111.7660	0.000	1	111.7660	0.000	1	111.6671	0.310	14	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2H)2(OC)2	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]2H)2(OC)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	110.9960	0.000	1	111.3313	0.086	3	111.6671	0.310	14	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]2H)2(OC)2	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]2H)2(OC)2{4|C<3>,5|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	111.4990	0.052	2	111.3313	0.086	3	111.6671	0.310	14	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	O(C[6,6]C[6,6]2O)(CCHH)	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{3|C<3>,5|H<1>}	O(C[6,6]C[6,6]2O)(CCHH)	O(C[6,6]C[6,6]2O)(CCHH)	111.9920	0.000	1	111.9920	0.000	1	111.6671	0.310	14	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	111.5350	0.000	1	111.4050	0.267	3	111.6671	0.310	14	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{1|N<3>,2|C<3>,5|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	111.8440	0.000	1	111.4050	0.267	3	111.6671	0.310	14	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(OC)2{3|H<1>,4|C<3>}	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	110.8360	0.000	1	111.4050	0.267	3	111.6671	0.310	14	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(OC)2	O(C[6,6]C[6,6]2O)(CCHH)	O(C[6,6]C[6,6]2O)(CCHH)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(OC)2{2|H<1>,4|C<3>}	O(C[6,6]C[6,6]2O)(CCHH)	O(C[6,6]C[6,6]2O)(CCHH)	112.2010	0.000	1	112.2010	0.000	1	111.6671	0.310	14	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6]2H)(OC)2	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]C)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	112.4460	0.000	1	112.4460	0.000	1	111.6671	0.310	14	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2{1|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	111.7980	0.634	2	111.4493	0.565	3	111.6671	0.310	14	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6,6]	O	O	4:4:2:2:	4:4:	4:4:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]2H)(OC)2{2|C<4>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6]2O)(CH3)	O(C[6,6]C[6,6]2O)(CH3)	110.7520	0.000	1	111.4493	0.565	3	111.6671	0.310	14	111.4813	0.669	20	111.8364	1.501	60	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	2:4:2:2:	4:4:	4:4:	O[6]-2:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(OC)2	O(C[6]C[6]O[6]O)(CH3)	O(C[6]C[6]O[6]O)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(OC)2{1|H<1>,3|C<3>}	O(C[6]C[6]O[6]O)(CH3)	O(C[6]C[6]O[6]O)(CH3)	111.7570	0.000	1	111.7570	0.000	1	111.7570	0.000	1	111.7570	0.000	1	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	3:3:2:2:	4:1:	4:1:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]N[6]O)2(OH)2	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	C[6](C[6]N[6]O)2(OH)2{1|C<3>,2|H<1>}	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	113.7455	1.890	2	113.7455	3.572	2	113.7455	3.572	2	113.7455	3.572	2	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	3:3:2:2:	4:4:	4:4:	C[5a,6]-3:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(OC)2	O(C[6]C[5a,6]C[6]O)(CH3)	O(C[6]C[5a,6]C[6]O)(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(OC)2{1|H<1>,1|N<2>,2|C<3>}	O(C[6]C[5a,6]C[6]O)(CH3)	O(C[6]C[5a,6]C[6]O)(CH3)	109.8540	4.513	2	109.8540	20.365	2	109.3513	10.941	3	105.2424	20.324	18	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	3:3:2:2:	4:4:	4:4:	C[5a,6]-3:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O)(OC)2	O(C[6]C[5a,6]C[6]O)(CH3)	O(C[6]C[5a,6]C[6]O)(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O)(OC)2{1|H<1>,1|N<2>,2|C<3>}	O(C[6]C[5a,6]C[6]O)(CH3)	O(C[6]C[5a,6]C[6]O)(CH3)	108.3460	0.000	1	108.3460	0.000	1	109.3513	10.941	3	105.2424	20.324	18	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	3:3:2:2:	4:4:	4:4:	C[6,6]-3:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(OC)2	O(C[6]C[6,6]C[6]O)(CH3)	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(OC)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6]C[6]O)(CH3)	O(C[6]C[6,6]C[6]O)(CH3)	105.7500	0.000	1	105.7500	0.000	1	105.7500	0.000	1	105.2424	20.324	18	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	3:3:2:2:	4:4:	4:4:	C[6,6a]-3:C[6,6a]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])2(OC)2	O(C[6]C[6,6a]2O)(CH3)	O(C[6]C[6,6a]2O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(OC)2{1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]2O)(CH3)	O(C[6]C[6,6a]2O)(CH3)	98.2132	0.000	1	98.2132	0.000	1	98.2132	0.000	1	105.2424	20.324	18	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	3:3:2:2:	4:4:	4:4:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(OC)2	O(C[6]C[6,6a]C[6]O)(CH3)	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(OC)2{1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]O)(CH3)	O(C[6]C[6,6a]C[6]O)(CH3)	108.9430	0.127	2	108.9430	0.016	2	107.7073	29.695	4	105.2424	20.324	18	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	3:3:2:2:	4:4:	4:4:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(OC)2	O(C[6]C[6,6a]C[6]O)(CH3)	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(OC)2{1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]O)(CH3)	O(C[6]C[6,6a]C[6]O)(CH3)	112.9120	0.000	1	112.9120	0.000	1	107.7073	29.695	4	105.2424	20.324	18	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	3:3:2:2:	4:4:	4:4:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)2	O(C[6]C[6,6a]C[6]O)(CH3)	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)2{2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]O)(CH3)	O(C[6]C[6,6a]C[6]O)(CH3)	100.0310	0.000	1	100.0310	0.000	1	107.7073	29.695	4	105.2424	20.324	18	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	3:3:2:2:	4:4:	4:4:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)2	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)2{1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(CCHH)	104.7010	0.000	1	104.7010	0.000	1	103.5018	10.333	9	105.2424	20.324	18	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	3:3:2:2:	4:4:	4:4:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2{1|Br<1>,1|C<3>,1|C<4>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	106.9620	0.000	1	105.7904	0.438	5	103.5018	10.333	9	105.2424	20.324	18	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	3:3:2:2:	4:4:	4:4:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)2{1|C<2>,1|C<4>,1|H<1>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	105.4975	0.109	4	105.7904	0.438	5	103.5018	10.333	9	105.2424	20.324	18	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	3:3:2:2:	4:4:	4:4:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)2{1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	99.2879	0.080	3	99.2879	0.006	3	103.5018	10.333	9	105.2424	20.324	18	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	3:4:2:2:	4:1:	4:1:	C[6]-3:C[6]-4:O-2:O-2:	C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]FF)(OH)2	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]FF)(OH)2{1|O<1>,2|C<3>}	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	113.8000	0.000	1	113.8000	0.000	1	113.8000	0.000	1	113.8000	0.000	1	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	3:4:2:2:	4:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2	O(C[6]C[6,6a]C[6]O)(CH3)	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2{4|C<3>}	O(C[6]C[6,6a]C[6]O)(CH3)	O(C[6]C[6,6a]C[6]O)(CH3)	112.9980	0.000	1	112.9980	0.000	1	112.9980	0.000	1	112.9980	0.000	1	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:3:2:2:	4:1:	4:1:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]OO)(C[6]C[6]O)(OH)2	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]OO)(C[6]C[6]O)(OH)2{1|C<3>,1|O<1>,1|O<2>}	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	113.0305	0.911	2	113.0305	0.831	2	113.0305	0.831	2	113.0305	0.831	2	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:3:2:2:	4:4:	4:4:	C[5,6,6]-4:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(OC)2	O(C[6]C[5,6,6]C[6]O)(CH3)	O(C[6]C[5,6,6]C[6]O)(CH3)	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(OC)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6,6]C[6]O)(CH3)	O(C[6]C[5,6,6]C[6]O)(CH3)	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	111.3490	3.205	9	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:3:2:2:	4:4:	4:4:	C[5,6]-4:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)2	O(C[6]C[5,6]C[6]O)(CH3)	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6]O)(CH3)	O(C[6]C[5,6]C[6]O)(CH3)	112.3190	0.000	1	112.3190	0.000	1	111.7125	0.736	2	111.3490	3.205	9	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:3:2:2:	4:4:	4:4:	C[5,6]-4:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OC)2	O(C[6]C[5,6]C[6]O)(CH3)	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OC)2{1|N<2>,2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6]O)(CH3)	O(C[6]C[5,6]C[6]O)(CH3)	111.1060	0.000	1	111.1060	0.000	1	111.7125	0.736	2	111.3490	3.205	9	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:3:2:2:	4:4:	4:4:	C[6,6]-4:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)2	O(C[6]C[6,6]C[6]O)(CH3)	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)2{1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]O)(CH3)	O(C[6]C[6,6]C[6]O)(CH3)	111.3930	0.000	1	111.3930	0.000	1	110.1317	4.694	3	111.3490	3.205	9	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:3:2:2:	4:4:	4:4:	C[6,6]-4:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(OC)2	O(C[6]C[6,6]C[6]O)(CH3)	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(OC)2{1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]O)(CH3)	O(C[6]C[6,6]C[6]O)(CH3)	111.3720	0.000	1	111.3720	0.000	1	110.1317	4.694	3	111.3490	3.205	9	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:3:2:2:	4:4:	4:4:	C[6,6]-4:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(OC)2	O(C[6]C[6,6]C[6]O)(CH3)	O(C[6]C[6,6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(OC)2{1|S<4>,3|C<3>}	O(C[6]C[6,6]C[6]O)(CH3)	O(C[6]C[6,6]C[6]O)(CH3)	107.6300	0.000	1	107.6300	0.000	1	110.1317	4.694	3	111.3490	3.205	9	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:3:2:2:	4:4:	4:4:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)2	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)2{1|H<1>,2|C<3>}	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(CCHH)	111.5520	0.000	1	111.5520	0.000	1	110.7300	1.351	2	111.3490	3.205	9	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:3:2:2:	4:4:	4:4:	C[6]-4:C[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	109.9080	0.000	1	109.9080	0.000	1	110.7300	1.351	2	111.3490	3.205	9	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:3:2:2:	4:4:	4:4:	C[6]-4:N[6]-3:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]OO)(N[6]C[6]S)(OC)2	O(C[6]C[6]N[6]O)(CH3)	O(C[6]C[6]N[6]O)(CH3)	C[6](C[6]C[6]OO)(N[6]C[6]S)(OC)2{2|C<3>,2|H<1>}	O(C[6]C[6]N[6]O)(CH3)	O(C[6]C[6]N[6]O)(CH3)	113.5410	0.000	1	113.5410	0.000	1	113.5410	0.000	1	111.3490	3.205	9	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:1:	4:1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2	O(C[6]C[5,6]C[6]O)(H)	O(C[6]C[5,6]C[6]O)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)2{1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[5,6]C[6]O)(H)	O(C[6]C[5,6]C[6]O)(H)	109.6840	0.000	1	109.6840	0.000	1	109.6840	0.000	1	110.5048	4.064	10	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:1:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]FF)2(OH)2	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]FF)2(OH)2{1|C<4>,4|F<1>}	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	111.0275	3.152	2	111.0275	9.932	2	110.5960	4.478	9	110.5048	4.064	10	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:1:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]OO)2(OH)2	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]OO)2(OH)2{1|C<4>,4|O<2>}	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	110.1637	2.427	3	110.1637	5.890	3	110.5960	4.478	9	110.5048	4.064	10	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:1:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]FF)(OH)2	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]FF)(OH)2{1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	111.0265	2.641	2	111.0265	6.975	2	110.5960	4.478	9	110.5048	4.064	10	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:1:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]FF)(OH)2	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]FF)(OH)2{1|C<4>,3|C<3>}	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	108.6880	0.000	1	108.6880	0.000	1	110.5960	4.478	9	110.5048	4.064	10	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:1:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]N[6]HH)2(OH)2	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	C[6](C[6]N[6]HH)2(OH)2{1|C<4>,2|C<3>}	O(C[6]C[6]2O)(H)	O(C[6]C[6]2O)(H)	112.0770	0.000	1	112.0770	0.000	1	110.5960	4.478	9	110.5048	4.064	10	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:2:	4:2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:O-2:	C[6]-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OO)2	O(C[6]C[6]2O)(OC)	O(C[6]C[6]2O)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OO)2{2|C<4>,3|H<1>}	O(C[6]C[6]2O)(OC)	O(C[6]C[6]2O)(OC)	109.6273	1.035	4	109.6273	1.072	4	110.5801	1.950	12	110.5801	1.950	12	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:2:	4:2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:O-2:	C[6]-4:O-2:	C[6](C[6]C[6]HH)2(OO)2	O(C[6]C[6]2O)(OC)	O(C[6]C[6]2O)(OC)	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(OC)	O(C[6]C[6]2O)(OC)	109.2005	0.373	2	109.2005	0.139	2	110.5801	1.950	12	110.5801	1.950	12	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:2:	4:2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:O-2:	C[6]-4:O-2:	C[6](C[6]C[6]HH)2(OO)2	O(C[6]C[6]2O)(OC[6])	O(C[6]C[6]2O)(OC[6])	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(OC[6])	O(C[6]C[6]2O)(OC[6])	111.9308	0.455	4	111.9308	0.207	4	110.5801	1.950	12	110.5801	1.950	12	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:2:	4:2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:O-2:	C[6]-4:O-2:	C[6](C[6]C[6]HH)2(OO)2	O(C[6]C[6]2O)(OH)	O(C[6]C[6]2O)(OH)	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(OH)	O(C[6]C[6]2O)(OH)	110.1500	0.000	1	110.1500	0.000	1	110.5801	1.950	12	110.5801	1.950	12	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:2:	4:2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:O-2:	C[6]-4:O-2:	C[6](C[6]C[6]HH)2(OO)2	O(C[6]C[6]2O)(OSi)	O(C[6]C[6]2O)(OSi)	C[6](C[6]C[6]HH)2(OO)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(OSi)	O(C[6]C[6]2O)(OSi)	112.1780	0.000	1	112.1780	0.000	1	110.5801	1.950	12	110.5801	1.950	12	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:1:	C[5,6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH)	O(C[6]C[5,6]C[6]O)(CH3)	O(C[6]C[5,6]C[6]O)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HO)(OC)(OH){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]O)(CH3)	O(C[6]C[5,6]C[6]O)(H)	112.4040	0.000	1	112.4040	0.000	1	112.4040	0.000	1	110.2897	3.354	3	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH)	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(OH){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(H)	109.2325	0.043	2	109.2325	0.002	2	109.2325	0.002	2	110.2897	3.354	3	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:2:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:O-2:	C[6](C[6]C[6]HH)2(OC)(OO)	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(OC)	C[6](C[6]C[6]HH)2(OC)(OO){1|C<4>,4|H<1>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(OC)	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[5,6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2	O(C[6]C[5,6]C[6]O)(CH3)	O(C[6]C[5,6]C[6]O)(CH3)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(OC)2{2|C<3>,3|C<4>}	O(C[6]C[5,6]C[6]O)(CH3)	O(C[6]C[5,6]C[6]O)(CH3)	112.1400	0.000	1	112.1400	0.000	1	112.1400	0.000	1	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[5]-4:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC[5])(OC)	O(C[5]C[5]2H)(C[6]C[6]2O)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC[5])(OC){1|N<3>,4|H<1>}	O(C[5]C[5]2H)(C[6]C[6]2O)	O(C[6]C[6]2O)(CH3)	110.4130	0.000	1	110.4130	0.000	1	110.4130	0.000	1	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OC)2{4|H<1>,5|C<3>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	111.6540	0.000	1	111.6540	0.000	1	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)2	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)2{2|C<4>,3|H<1>}	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(CCHH)	110.0850	0.000	1	110.0850	0.000	1	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)2	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)2{2|C<3>,2|H<1>}	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(CCHH)	111.3690	0.000	1	111.3690	0.000	1	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OC)2{1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	110.0100	0.000	1	110.0100	0.000	1	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{2|C<3>,2|H<1>}	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(CCHH)	111.2240	0.000	1	111.2240	0.000	1	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(CH3)	110.6030	0.000	1	110.6030	0.000	1	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]OO)(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]OO)(OC)2{1|C<3>,1|C<4>,1|S<4>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	112.0390	0.000	1	112.0390	0.000	1	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)2	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(CCHH)	C[6](C[6]C[6]HH)2(OC)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(CCHH)	O(C[6]C[6]2O)(CCHH)	110.8990	0.000	1	110.8990	0.000	1	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)2	O(C[6]C[6]2O)(CC[4,4]HH)	O(C[6]C[6]2O)(CC[4,4]HH)	C[6](C[6]C[6]HH)2(OC)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(CC[4,4]HH)	O(C[6]C[6]2O)(CC[4,4]HH)	111.5525	0.674	2	111.5525	0.454	2	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{1|N<3>,4|H<1>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	111.7730	0.000	1	110.1994	3.237	7	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{1|N<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	107.8240	0.000	2	110.1994	3.237	7	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	110.1485	0.489	2	110.1994	3.237	7	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{1|S<4>,4|H<1>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	111.6980	0.000	1	110.1994	3.237	7	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)2(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HH)2(OC)2{3|C<3>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	111.9800	0.000	1	110.1994	3.237	7	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]HO)2(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6]HO)2(OC)2{4|Br<1>,1|C<3>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	111.5460	0.000	1	111.5460	0.000	1	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(OC)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	110.8210	0.000	1	110.8210	0.000	1	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]O[6]HH)2(OC)2	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	C[6](C[6]O[6]HH)2(OC)2{1|P<4>}	O(C[6]C[6]2O)(CH3)	O(C[6]C[6]2O)(CH3)	112.3130	0.929	3	112.3130	0.863	3	110.9859	1.708	22	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	893	0:SP3_SP3_SP3	C[6]	O	O	4:4:2:2:	4:4:	4:4:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:Si-4:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)2(OSi)2	O(C[6]C[6]2O)(SiCCO)	O(C[6]C[6]2O)(SiCCO)	C[6](C[6]C[6]HH)2(OSi)2{1|C<4>,4|H<1>}	O(C[6]C[6]2O)(SiCCO)	O(C[6]C[6]2O)(SiCCO)	109.8140	0.112	2	109.8140	0.012	2	109.8140	0.012	2	110.9181	1.607	26	109.8370	11.812	86	110.6587	8.510	146
466	893	909	0:SP3_SP3_SP3	C[6]	O	S	3:2:2:2:	4:4:	4:4:	C[6]-3:S[6]-2:O-2:S-2:	C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6,6a]N)(S[6]C[6])(OC)(SC)	O(C[6]C[6]S[6]S)(CH3)	S(C[6]C[6]S[6]O)(CH3)	C[6](C[6]C[6,6a]N)(S[6]C[6])(OC)(SC){2|C<3>,2|H<1>}	O(C[6]C[6]S[6]S)(CH3)	S(C[6]C[6]S[6]O)(CH3)	112.1950	0.000	1	112.1950	0.000	1	112.1950	0.000	1	112.1950	0.000	1	112.1950	0.000	1	112.1950	0.000	1
466	893	914	0:SP3_SP2_SP3	C[3x6]	O	N[6,6]	4:4:2:2:	4:4:	4:3:	C[6,6]-4:C[6,6]-4:N[6,6]-2:O-2:	C[3x6]-4:C-4:	C[3x6]-4:C[6,6]-3:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC)	O(C[3x6]C[6,6]2N[6,6])(CH3)	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC){1|C<4>,1|O<2>,3|H<1>}	O(C[3x6]C[6,6]2N[6,6])(CH3)	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O){1|C<2>,1|W<7>,2|C<4>,3|H<1>}	109.6410	0.000	1	110.0413	0.122	3	110.0413	0.122	3	110.0413	0.122	3	110.0413	0.122	3	108.9529	2.143	16
466	893	914	0:SP3_SP2_SP3	C[3x6]	O	N[6,6]	4:4:2:2:	4:4:	4:3:	C[6,6]-4:C[6,6]-4:N[6,6]-2:O-2:	C[3x6]-4:C-4:	C[3x6]-4:C[6,6]-3:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC)	O(C[3x6]C[6,6]2N[6,6])(CH3)	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC){1|C<4>,1|O<2>,3|H<1>}	O(C[3x6]C[6,6]2N[6,6])(CH3)	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O){1|C<3>,1|W<7>,2|C<4>,3|H<1>}	110.2415	0.053	2	110.0413	0.122	3	110.0413	0.122	3	110.0413	0.122	3	110.0413	0.122	3	108.9529	2.143	16
466	893	914	0:SP3_SP2_SP3	C[6,6]	O	N[6]	4:4:2:2:	4:1:	4:3:	C[6,6]-4:C[6]-4:N[6]-2:O-2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH)	O(C[6,6]C[6,6]C[6]N[6])(H)	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(H)	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]){2|C<3>,3|C<4>,5|H<1>}	108.0700	0.000	1	108.0133	0.008	3	108.0133	0.008	3	108.0133	0.008	3	108.0133	0.008	3	108.9529	2.143	16
466	893	914	0:SP3_SP2_SP3	C[6,6]	O	N[6]	4:4:2:2:	4:1:	4:3:	C[6,6]-4:C[6]-4:N[6]-2:O-2:	C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH)	O(C[6,6]C[6,6]C[6]N[6])(H)	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH){2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(H)	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]){2|C<3>,2|C<4>,6|H<1>}	107.9850	0.103	2	108.0133	0.008	3	108.0133	0.008	3	108.0133	0.008	3	108.0133	0.008	3	108.9529	2.143	16
466	893	914	0:SP3_SP2_SP3	C[6]	O	N[6]	3:2:2:1:	4:1:	4:3:	C[6,6a]-3:N[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H)	O(C[6]C[6,6a]N[6]H)(H)	N[6](C[6]C[6,6a]HO)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6,6a]N[6]H)(H)	N[6](C[6]C[6,6a]HO)(C[6]C[6a]N[6]){1|C<4>,4|C<3>}	109.9650	0.000	1	109.9650	0.000	1	109.9650	0.000	1	109.9650	0.000	1	108.9083	2.851	10	108.9529	2.143	16
466	893	914	0:SP3_SP2_SP3	C[6]	O	N[6]	3:2:3:2:	4:1:	4:4:	C[6]-3:N[6]-2:C-3:O-2:	C[6]-4:H-1:	S[6]-4:C[6]-4:	C[6](C[6]C[6,6a]O)(N[6]S[6])(COO)(OH)	O(C[6]C[6]N[6]C)(H)	N[6](S[6]C[6,6a]OO)(C[6]C[6]CO)	C[6](C[6]C[6,6a]O)(N[6]S[6])(COO)(OH){2|C<3>,2|O<1>}	O(C[6]C[6]N[6]C)(H)	N[6](S[6]C[6,6a]OO)(C[6]C[6]CO){1|O<1>,2|C<3>}	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	108.9083	2.851	10	108.9529	2.143	16
466	893	914	0:SP3_SP2_SP3	C[6]	O	N[6]	4:2:2:1:	4:4:	3:4:	C[6]-4:N[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-3:C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H)	O(C[6]C[6]N[6]H)(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6]HO)	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H){3|C<3>}	O(C[6]C[6]N[6]H)(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	108.9083	2.851	10	108.9529	2.143	16
466	893	914	0:SP3_SP2_SP3	C[6]	O	N[6]	4:2:2:1:	4:4:	4:3:	C[5,5,6]-4:N[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H)	O(C[6]C[5,5,6]N[6]H)(CH3)	N[6](C[6]C[5,5,6]HO)(C[6]C[6a]C[6])	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,5,6]N[6]H)(CH3)	N[6](C[6]C[5,5,6]HO)(C[6]C[6a]C[6]){2|C<3>,2|H<1>,3|C<4>}	110.9340	0.000	1	110.9340	0.000	1	110.9340	0.000	1	110.2770	0.863	2	108.9083	2.851	10	108.9529	2.143	16
466	893	914	0:SP3_SP2_SP3	C[6]	O	N[6]	4:2:2:1:	4:4:	4:3:	C[6]-4:N[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H)	O(C[6]C[6]N[6]H)(CH3)	N[6](C[6]C[6]HO)(C[6]C[6]O)	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|W<7>}	O(C[6]C[6]N[6]H)(CH3)	N[6](C[6]C[6]HO)(C[6]C[6]O){1|C<4>,1|O<2>,1|W<7>,2|H<1>}	109.6200	0.000	1	109.6200	0.000	1	109.6200	0.000	1	110.2770	0.863	2	108.9083	2.851	10	108.9529	2.143	16
466	893	914	0:SP3_SP2_SP3	C[6]	O	N[6]	4:2:4:2:	4:1:	3:4:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:H-1:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH)	O(C[6]C[6]N[6]C)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH){1|H<1>,3|C<3>}	O(C[6]C[6]N[6]C)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO){1|C<4>,2|C<3>,3|H<1>}	105.8810	0.000	1	105.8810	0.000	1	105.8810	0.000	1	107.5010	0.853	5	108.9083	2.851	10	108.9529	2.143	16
466	893	914	0:SP3_SP2_SP3	C[6]	O	N[6]	4:2:4:2:	4:1:	3:4:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH)	O(C[6]C[6]N[6]C)(H)	N[6](C[6]C[6a]S[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH){1|C<3>,1|S<2>,2|H<1>}	O(C[6]C[6]N[6]C)(H)	N[6](C[6]C[6a]S[6])(C[6]C[6]CO){1|C<4>,2|C<3>,2|H<1>}	107.6500	0.000	1	107.6500	0.000	1	107.9060	0.044	4	107.5010	0.853	5	108.9083	2.851	10	108.9529	2.143	16
466	893	914	0:SP3_SP2_SP3	C[6]	O	N[6]	4:2:4:2:	4:1:	3:4:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	O(C[6]C[6]N[6]C)(H)	N[6](C[6]C[6a]S[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH){1|H<1>,1|S<2>,2|C<3>}	O(C[6]C[6]N[6]C)(H)	N[6](C[6]C[6a]S[6])(C[6]C[6]CO){1|C<4>,2|C<3>,2|H<1>}	107.9930	0.000	1	107.9930	0.000	1	107.9060	0.044	4	107.5010	0.853	5	108.9083	2.851	10	108.9529	2.143	16
466	893	914	0:SP3_SP2_SP3	C[6]	O	N[6]	4:2:4:2:	4:1:	3:4:	C[6]-4:N[6]-2:C-4:O-2:	C[6]-4:H-1:	C[6]-3:C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	O(C[6]C[6]N[6]C)(H)	N[6](C[6]C[6a]Se[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH){1|Se<2>,1|H<1>,2|C<3>}	O(C[6]C[6]N[6]C)(H)	N[6](C[6]C[6a]Se[6])(C[6]C[6]CO){1|C<4>,2|C<3>,2|H<1>}	107.9905	0.210	2	107.9905	0.044	2	107.9060	0.044	4	107.5010	0.853	5	108.9083	2.851	10	108.9529	2.143	16
466	893	930	0:SP3_SP2_SP2	C[6]	O	C	3:4:3:2:	4:3:	4:2:1:	C[6]-3:C[6]-4:C-3:O-2:	C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(OC)	O(C[6]C[6]2C)(CC[6a]O)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(COO)(OC){1|H<1>,3|C<3>}	O(C[6]C[6]2C)(CC[6a]O)	C(C[6]C[6]2O)(OC)(O)	105.6830	0.000	1	105.6830	0.000	1	105.6830	0.000	1	105.6830	0.000	1	107.7710	8.719	2	107.7710	8.719	2
466	893	930	0:SP3_SP2_SP2	C[6]	O	C	4:3:3:2:	4:3:	4:2:1:	C[6]-4:C[6]-3:C-3:O-2:	C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(COO)(OC)	O(C[6]C[6]2C)(CC[6a]O)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(COO)(OC){2|H<1>,4|C<3>}	O(C[6]C[6]2C)(CC[6a]O)	C(C[6]C[6]2O)(OC)(O)	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	107.7710	8.719	2	107.7710	8.719	2
466	893	930	0:SP3_SP2_SP3	C[6,6]	O	C	4:3:3:2:	4:1:	4:2:1:	C[4,6,6]-4:C[6,6]-3:C-3:O-2:	C[6,6]-4:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(COO)(OH)	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(OH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(COO)(OH){3|C<4>,4|H<1>}	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(OH)(O)	107.0310	0.000	1	107.0310	0.000	1	107.0310	0.000	1	107.0310	0.000	1	105.3251	3.527	7	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6,6]	O	C	4:4:3:2:	4:1:	4:1:1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[6,6]-4:H-1:	C[6,6]-4:O-1:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH)	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(O)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH){3|C<4>,4|H<1>}	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(O)2	103.1670	0.000	1	103.1670	0.000	1	103.1670	0.000	1	103.1670	0.000	1	105.3251	3.527	7	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6,6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[6,6]-4:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH)	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(OH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(COO)(OH){3|C<4>,4|H<1>}	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(OH)(O)	103.5470	0.632	2	103.5470	0.400	2	103.5470	0.400	2	103.5470	0.400	2	105.3251	3.527	7	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6,6]	O	C	4:4:3:2:	4:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C-3:O-2:	C[6,6]-4:H-1:	C[6,6]-4:N-3:O-1:	C[6,6](C[3x6]C[6,6]2H)2(CNO)(OH)	O(C[6,6]C[3x6]2C)(H)	C(C[6,6]C[3x6]2O)(NCC)(O)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(OH){2|C<4>,8|H<1>}	O(C[6,6]C[3x6]2C)(H)	C(C[6,6]C[3x6]2O)(NCC)(O)	106.3360	0.000	1	106.3360	0.000	1	106.3360	0.000	1	106.1685	0.056	2	105.3251	3.527	7	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6,6]	O	C	4:4:3:2:	4:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C-3:O-2:	C[6,6]-4:H-1:	C[6,6]-4:N-3:Se-1:	C[6,6](C[3x6]C[6,6]2H)2(CSeN)(OH)	O(C[6,6]C[3x6]2C)(H)	C(C[6,6]C[3x6]2O)(NCC)(Se)	C[6,6](C[3x6]C[6,6]2H)2(CSeN)(OH){2|C<4>,8|H<1>}	O(C[6,6]C[3x6]2C)(H)	C(C[6,6]C[3x6]2O)(NCC)(Se)	106.0010	0.000	1	106.0010	0.000	1	106.0010	0.000	1	106.1685	0.056	2	105.3251	3.527	7	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6,6]	O	C	4:4:3:2:	4:1:	4:4:1:	C[4,6,6]-4:C[6,6]-4:C-3:O-2:	C[6,6]-4:H-1:	C[6,6]-4:C-4:O-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH)	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]HH)(O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(CCO)(OH){3|C<4>,4|H<1>}	O(C[6,6]C[4,6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(CC[6,6]HH)(O)	107.6470	0.000	1	107.6470	0.000	1	107.6470	0.000	1	107.6470	0.000	1	105.3251	3.527	7	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	2:3:3:2:	4:1:	4:2:1:	O[6]-2:C[6]-3:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(OH)	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)(OH){3|C<3>}	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	2:4:3:2:	4:1:	4:2:1:	O[6]-2:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:N-2:O-1:	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH)	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(NC[6])(O)	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH){2|C<3>}	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(NC[6])(O)	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	110.3309	6.794	8	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	2:4:3:2:	4:1:	4:2:1:	O[6]-2:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH)	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(COO)(OH){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	110.2853	2.812	7	110.2853	7.907	7	110.2853	7.907	7	110.3309	6.794	8	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:2:3:2:	4:1:	4:2:1:	C[6]-3:N[6]-2:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6])(COO)(OH)	O(C[6]C[6]N[6]C)(H)	C(C[6]C[6]N[6]O)(OC)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6])(COO)(OH){2|C<3>,2|O<1>}	O(C[6]C[6]N[6]C)(H)	C(C[6]C[6]N[6]O)(OC)(O)	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:2:3:2:	4:1:	4:3:1:	C[6,6a]-3:O[6]-2:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH)	O(C[6]C[6,6a]O[6]C)(H)	C(C[6]C[6,6a]O[6]O)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]O[6]C)(H)	C(C[6]C[6,6a]O[6]O)(C[6a]C[6a]2)(O)	102.3020	0.000	2	102.3020	0.000	2	102.3020	0.000	2	102.3020	0.000	2	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:2:3:2:	4:4:	4:3:1:	C[6]-3:O[6]-2:C-3:O-2:	C[6]-4:C-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC)	O(C[6]C[6]O[6]C)(CH3)	C(C[6]C[6]O[6]O)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]H)(O[6]N[6])(CC[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]O[6]C)(CH3)	C(C[6]C[6]O[6]O)(C[6a]C[6a]2)(O)	113.4780	0.000	1	113.4780	0.000	1	113.4780	0.000	1	113.4780	0.000	1	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:3:3:2:	4:1:	4:2:1:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH)	O(C[6]C[6,6a]C[6]C)(H)	C(C[6]C[6,6a]C[6]O)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	C(C[6]C[6,6a]C[6]O)(OC)(O)	108.1090	0.000	1	108.1090	0.000	1	108.1090	0.000	1	108.5815	0.447	2	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:3:3:2:	4:1:	4:2:1:	C[6]-3:C[6]-3:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)(OH){1|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	109.0540	0.000	1	109.0540	0.000	1	109.0540	0.000	1	108.5815	0.447	2	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:3:3:2:	4:1:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:O-2:	C[6]-4:H-1:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH)	O(C[6]C[6,6a]N[6]C)(H)	C(C[6]C[6,6a]N[6]O)(N[6]C[6]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]N[6]C)(H)	C(C[6]C[6,6a]N[6]O)(N[6]C[6]2)(O)	108.2685	0.276	2	108.2685	0.076	2	108.2685	0.076	2	108.2685	0.076	2	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:3:3:2:	4:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6]-4:C-4:	C[6]-4:C-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC)	O(C[6]C[6,6a]C[6]C)(CH3)	C(C[6]C[6,6a]C[6]O)(CCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]C)(CH3)	C(C[6]C[6,6a]C[6]O)(CCH)(O)	106.1710	0.000	1	106.1710	0.000	1	106.1710	0.000	1	106.1710	0.000	1	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:4:3:2:	4:1:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH)	O(C[6]C[6,6a]C[6]C)(H)	C(C[6]C[6,6a]C[6]O)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	C(C[6]C[6,6a]C[6]O)(OC)(O)	107.6385	0.069	2	107.6385	0.005	2	107.7859	1.229	8	108.0938	1.378	10	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:4:3:2:	4:1:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH)	O(C[6]C[6,6a]C[6]C)(H)	C(C[6]C[6,6a]C[6]O)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	C(C[6]C[6,6a]C[6]O)(OC)(O)	107.6495	1.158	4	107.6495	1.342	4	107.7859	1.229	8	108.0938	1.378	10	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:4:3:2:	4:1:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH)	O(C[6]C[6,6a]C[6]C)(H)	C(C[6]C[6,6a]C[6]O)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O(C[6]C[6,6a]C[6]C)(H)	C(C[6]C[6,6a]C[6]O)(OC)(O)	109.6380	0.000	1	109.6380	0.000	1	107.7859	1.229	8	108.0938	1.378	10	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:4:3:2:	4:1:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH)	O(C[6]C[6,6a]C[6]C)(H)	C(C[6]C[6,6a]C[6]O)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH){1|H<1>,1|N<3>,5|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	C(C[6]C[6,6a]C[6]O)(OC)(O)	106.7740	0.000	1	106.7740	0.000	1	107.7859	1.229	8	108.0938	1.378	10	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:4:3:2:	4:1:	4:2:1:	N[5a,6]-3:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(COO)(OH)	O(C[6]N[5a,6]C[6]C)(H)	C(C[6]N[5a,6]C[6]O)(OC)(O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(COO)(OH){3|C<3>,3|C<4>}	O(C[6]N[5a,6]C[6]C)(H)	C(C[6]N[5a,6]C[6]O)(OC)(O)	109.3860	0.000	1	109.3860	0.000	1	109.3860	0.000	1	108.0938	1.378	10	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:4:3:2:	4:1:	4:2:1:	N[6]-3:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH)	O(C[6]C[6]N[6]C)(H)	C(C[6]C[6]N[6]O)(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH){1|O<1>,2|C<3>,3|C<4>}	O(C[6]C[6]N[6]C)(H)	C(C[6]C[6]N[6]O)(OC)(O)	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	108.0938	1.378	10	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:4:3:2:	4:1:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH)	O(C[6]C[6,6a]C[6]C)(H)	C(C[6]C[6,6a]C[6]O)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH){3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	C(C[6]C[6,6a]C[6]O)(CCH)(H)	110.2220	0.000	1	110.2220	0.000	1	110.2220	0.000	1	110.3020	0.260	3	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:4:3:2:	4:1:	4:3:1:	C[6]-3:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCH)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCH)(OH){2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CHH)(H)	110.3420	0.714	2	110.3420	0.510	2	110.3420	0.510	2	110.3020	0.260	3	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	3:4:3:2:	4:1:	4:4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH)	O(C[6]C[6,6a]C[6]C)(H)	C(C[6]C[6,6a]C[6]O)(CH3)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH){2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	C(C[6]C[6,6a]C[6]O)(CH3)(O)	108.5800	0.000	1	108.5800	0.000	1	108.5800	0.000	1	108.5800	0.000	1	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:2:3:2:	4:1:	3:4:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH)	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6,6]C[6])(C[6]C[6]O[6]O)(H)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH){1|H<1>,4|C<4>}	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6,6]C[6])(C[6]C[6]O[6]O)(H)	105.0960	0.198	2	105.0960	0.039	2	105.0960	0.039	2	105.0960	0.039	2	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:2:3:2:	4:1:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(COO)(OH)	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[6]CH)(O[6]C[6,6])(COO)(OH){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	110.7690	0.000	1	110.7690	0.000	1	110.6187	5.195	7	110.6187	5.195	7	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:2:3:2:	4:1:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[5,6])(COO)(OH)	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[5,6])(COO)(OH){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	114.7630	0.000	1	114.7630	0.000	1	110.6187	5.195	7	110.6187	5.195	7	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:2:3:2:	4:1:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	111.0820	0.000	1	109.5987	3.256	4	110.6187	5.195	7	110.6187	5.195	7	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:2:3:2:	4:1:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	107.0050	0.000	1	109.5987	3.256	4	110.6187	5.195	7	110.6187	5.195	7	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:2:3:2:	4:1:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH)	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(COO)(OH){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	110.1540	0.472	2	109.5987	3.256	4	110.6187	5.195	7	110.6187	5.195	7	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:2:3:2:	4:1:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OH)	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OH){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]C)(H)	C(C[6]C[6]O[6]O)(OC)(O)	110.4040	0.000	1	110.4040	0.000	1	110.6187	5.195	7	110.6187	5.195	7	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:2:3:2:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]HH)(O[6]C[6])(COO)(OC)	O(C[6]C[6]O[6]C)(CH3)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[5,6]HH)(O[6]C[6])(COO)(OC){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	C(C[6]C[6]O[6]O)(OC)(O)	108.3860	0.000	1	108.3860	0.000	1	108.5850	0.079	2	108.9562	0.143	6	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:2:3:2:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OC)	O(C[6]C[6]O[6]C)(CH3)	C(C[6]C[6]O[6]O)(OC)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(COO)(OC){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	C(C[6]C[6]O[6]O)(OC)(O)	108.7840	0.000	1	108.7840	0.000	1	108.5850	0.079	2	108.9562	0.143	6	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:2:3:2:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C-4:	C[6]-4:S-2:O-1:	C[6](C[6]C[6]BrH)(O[6]C[5,6])(COS)(OC)	O(C[6]C[6]O[6]C)(CH3)	C(C[6]C[6]O[6]O)(SC)(O)	C[6](C[6]C[6]BrH)(O[6]C[5,6])(COS)(OC){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	C(C[6]C[6]O[6]O)(SC)(O)	109.3565	0.155	2	109.3565	0.024	2	109.1418	0.075	4	108.9562	0.143	6	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:2:3:2:	4:4:	4:2:1:	C[6]-4:O[6]-2:C-3:O-2:	C[6]-4:C-4:	C[6]-4:S-2:O-1:	C[6](C[6]C[6]BrH)(O[6]C[6])(COS)(OC)	O(C[6]C[6]O[6]C)(CH3)	C(C[6]C[6]O[6]O)(SC)(O)	C[6](C[6]C[6]BrH)(O[6]C[6])(COS)(OC){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]O[6]C)(CH3)	C(C[6]C[6]O[6]O)(SC)(O)	108.9270	0.127	2	108.9270	0.016	2	109.1418	0.075	4	108.9562	0.143	6	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:3:3:2:	4:1:	4:1:1:	C[5,6]-4:C[6]-3:C-3:O-2:	C[6]-4:H-1:	C[6]-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH)	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH){4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(H)2	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:3:3:2:	4:1:	4:2:1:	C[5,6]-4:C[6]-3:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O)(COO)(OH)	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]O)(COO)(OH){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	108.3435	4.305	6	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:3:3:2:	4:1:	4:2:1:	C[6,6]-4:C[5,6]-3:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)(OH)	O(C[6]C[5,6]C[6,6]C)(H)	C(C[6]C[5,6]C[6,6]O)(OC)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,5,6]N[5])(COO)(OH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[5,6]C[6,6]C)(H)	C(C[6]C[5,6]C[6,6]O)(OC)(O)	105.1200	0.000	1	105.1200	0.000	1	105.1200	0.000	1	108.3435	4.305	6	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:3:3:2:	4:1:	4:2:1:	C[6,6]-4:C[6]-3:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)(OH)	O(C[6]C[6,6]C[6]C)(H)	C(C[6]C[6,6]C[6]O)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O(C[6]C[6,6]C[6]C)(H)	C(C[6]C[6,6]C[6]O)(OC)(O)	108.7620	0.085	2	108.7620	0.007	2	108.7620	0.007	2	108.3435	4.305	6	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:3:3:2:	4:1:	4:2:1:	C[6,6]-4:N[6]-3:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]C)(COO)(OH)	O(C[6]C[6,6]N[6]C)(H)	C(C[6]C[6,6]N[6]O)(OC)(O)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]C)(COO)(OH){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]N[6]C)(H)	C(C[6]C[6,6]N[6]O)(OC)(O)	109.7300	0.000	1	109.7300	0.000	1	109.7300	0.000	1	108.3435	4.305	6	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:3:3:2:	4:1:	4:2:1:	C[6]-4:C[6]-3:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(COO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(COO)(OH){1|H<1>,3|C<4>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	106.8000	0.000	1	106.8000	0.000	1	106.8000	0.000	1	108.3435	4.305	6	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:3:3:2:	4:1:	4:3:1:	C[6,6]-4:C[6]-3:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH)	O(C[6]C[6,6]C[6]C)(H)	C(C[6]C[6,6]C[6]O)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH){3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]C)(H)	C(C[6]C[6,6]C[6]O)(CHH)(H)	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:3:3:2:	4:2:	4:4:1:	C[6]-4:C[6]-3:C-3:O-2:	C[6]-4:O-2:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCO)(OO)	O(C[6]C[6]2C)(OC)	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCO)(OO){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]2C)(OC)	C(C[6]C[6]2O)(CH3)(O)	111.4300	0.000	1	111.4300	0.000	1	111.4300	0.000	1	111.4300	0.000	1	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:3:3:2:	4:4:	4:3:2:	C[6]-4:N[6]-3:C-3:O-2:	C[6]-4:Si-4:	C[6]-4:C-3:N-2:	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi)	O(C[6]C[6]N[6]C)(SiC3)	C(C[6]C[6]N[6]O)(COO)(NN)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi){1|C<3>,2|H<1>}	O(C[6]C[6]N[6]C)(SiC3)	C(C[6]C[6]N[6]O)(COO)(NN)	108.1840	0.891	2	108.1840	0.794	2	108.1840	0.794	2	108.1840	0.794	2	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	3:4:2:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6a]-3:C[6]-4:N-2:	C[6](C[6]C[6]HH)2(CC[6a]N)(OH)	O(C[6]C[6]2C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(NO)	C[6](C[6]C[6]HH)2(CC[6a]N)(OH){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(NO)	108.7975	2.538	2	108.7975	6.440	2	108.7975	6.440	2	108.7975	6.440	2	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:1:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HO)2(COO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(O)2	C[6](C[6]C[6]HO)2(COO)(OH){1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(O)2	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH)	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HO)(COO)(OH){2|C<3>,5|C<4>}	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	107.9660	0.000	1	107.9660	0.000	1	105.7281	0.940	18	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH)	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH){2|C<3>,5|C<4>}	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	103.5550	0.000	1	105.3195	6.227	2	105.7281	0.940	18	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH)	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(COO)(OH){3|C<3>,4|C<4>}	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	107.0840	0.000	1	105.3195	6.227	2	105.7281	0.940	18	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){2|C<3>,5|C<4>}	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	105.5803	0.107	4	105.5441	0.295	8	105.7281	0.940	18	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH)	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HO)(COO)(OH){3|C<3>,4|C<4>}	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	105.5080	0.821	4	105.5441	0.295	8	105.7281	0.940	18	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(OH)	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(COO)(OH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	106.2840	0.000	1	106.2840	0.000	1	105.7281	0.940	18	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH)	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[5,6]HH)(COO)(OH){1|N<3>,1|O<1>,6|C<3>}	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	105.5998	0.754	4	105.5998	0.568	4	105.7281	0.940	18	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(OH)	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(COO)(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(OC)(O)	105.7320	0.000	2	105.7320	0.000	2	105.7281	0.940	18	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH)	O(C[6]C[6,6]C[6]C)(H)	C(C[6]C[6,6]C[6]O)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]C)(H)	C(C[6]C[6,6]C[6]O)(OC)(O)	109.9025	0.547	2	109.0043	2.569	3	109.0043	2.569	3	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH)	O(C[6]C[6,6]C[6]C)(H)	C(C[6]C[6,6]C[6]O)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)(OH){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]C)(H)	C(C[6]C[6,6]C[6]O)(OC)(O)	107.2080	0.000	1	109.0043	2.569	3	109.0043	2.569	3	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(COO)(OH){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	106.8980	0.000	1	106.8980	0.000	1	108.6060	6.106	9	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	110.2545	4.215	2	110.2545	17.767	2	108.6060	6.106	9	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)(OH){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	106.0690	0.000	1	106.0690	0.000	1	108.6060	6.106	9	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(COO)(OH){1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	107.8285	1.292	2	107.8285	1.669	2	108.6060	6.106	9	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)2(COO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6]HH)2(COO)(OH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	112.0030	0.000	1	112.0030	0.000	1	108.6060	6.106	9	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)2(COO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OH)(O)	C[6](C[6]C[6]HH)2(COO)(OH){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OH)(O)	109.0170	0.000	1	109.0170	0.000	1	108.6060	6.106	9	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:2:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(OC)(O)	107.3010	0.000	1	107.3010	0.000	1	108.6060	6.106	9	106.9191	4.626	30	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:3:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH)	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(CC[6a]H)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(CC[6a]H)(H)	107.3180	0.116	2	107.3180	0.013	2	107.3180	0.013	2	109.4037	4.348	20	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:3:1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(OH)	O(C[6]C[6,6]C[6]C)(H)	C(C[6]C[6,6]C[6]O)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(OH){1|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]C)(H)	C(C[6]C[6,6]C[6]O)(CHH)(H)	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	109.4037	4.348	20	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CCH)(H)	107.8680	0.027	3	107.5480	0.410	4	109.6556	5.634	11	109.4037	4.348	20	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CCH)(H)	106.5880	0.000	1	107.5480	0.410	4	109.6556	5.634	11	109.4037	4.348	20	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CC[6a]H)(H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CC[6a]H)(H)	113.9290	0.000	1	113.9290	0.000	1	109.6556	5.634	11	109.4037	4.348	20	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CHH)(H)	109.8750	2.117	4	109.8750	4.481	4	109.6556	5.634	11	109.4037	4.348	20	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CCH)(H)	111.4690	0.000	1	111.4690	0.000	1	109.6556	5.634	11	109.4037	4.348	20	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CCH)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CHP)(H)	C[6](C[6]C[6]HH)2(CCH)(OH){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CHP)(H)	111.1220	0.000	1	111.1220	0.000	1	109.6556	5.634	11	109.4037	4.348	20	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-3:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CCH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CCH)(O)	109.1120	0.092	2	109.1120	0.008	2	109.1120	0.008	2	109.4037	4.348	20	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:3:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(NCH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CNO)(OH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(NCH)(O)	109.4275	2.090	4	109.4275	4.369	4	109.4275	4.369	4	109.4037	4.348	20	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:3:3:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(CCC)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CC[6a]H)(CCO)	C[6](C[6]C[6]HH)2(CCC)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CC[6a]H)(CCO)	105.5200	2.992	2	105.5200	8.955	2	105.5200	8.955	2	105.5200	8.955	2	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:4:1:	C[6,6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH)	O(C[6]C[6,6]C[6]C)(H)	C(C[6]C[6,6]C[6]O)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCO)(OH){1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]C)(H)	C(C[6]C[6,6]C[6]O)(CH3)(O)	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	108.0184	5.793	8	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CH3)(O)	109.0575	0.623	2	109.0575	0.388	2	107.8517	6.499	7	108.0184	5.793	8	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CH3)(O)	109.6690	0.000	1	109.6690	0.000	1	107.8517	6.499	7	108.0184	5.793	8	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CHHO)(O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)(OH){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CHHO)(O)	104.1595	0.200	2	104.1595	0.040	2	107.8517	6.499	7	108.0184	5.793	8	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCO)(OH){1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CH3)(O)	109.1930	0.000	1	109.1930	0.000	1	107.8517	6.499	7	108.0184	5.793	8	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CH3)(O)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCO)(OH){1|C<4>,2|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CH3)(O)	109.6660	0.000	1	109.6660	0.000	1	107.8517	6.499	7	108.0184	5.793	8	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:4:3:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-4:C-3:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH)	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(CH3)(CHH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]C)(H)	C(C[6]C[5,6]C[6]O)(CH3)(CHH)	103.7580	0.000	1	103.7580	0.000	1	103.7580	0.000	1	104.9820	2.637	5	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:4:3:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CH3)(CHH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CH3)(CHH)	104.5530	0.000	1	104.5530	0.000	1	104.4427	0.050	3	104.9820	2.637	5	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:4:3:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH){2|H<1>,3|C<4>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(CH3)(CHH)	104.3875	0.285	2	104.3875	0.081	2	104.4427	0.050	3	104.9820	2.637	5	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:1:	4:4:3:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:H-1:	C[6]-4:P-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH)	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(PC[6a]2O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(H)	C(C[6]C[6]2O)(PC[6a]2O)(CC[6a]H)	107.8240	0.000	1	107.8240	0.000	1	107.8240	0.000	1	104.9820	2.637	5	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:4:	4:1:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:Si-4:	C[6]-4:H-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi)	O(C[6]C[5,6]C[6]C)(SiC3)	C(C[6]C[5,6]C[6]O)(H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]C)(SiC3)	C(C[6]C[5,6]C[6]O)(H)(O)	111.6668	1.043	8	111.6668	1.088	8	111.6668	1.088	8	111.6668	1.088	8	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:4:	4:2:1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6]-4:Si-4:	C[6]-4:O-2:O-1:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi)	O(C[6]C[5,6]C[6]C)(SiC3)	C(C[6]C[5,6]C[6]O)(OC)(O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(COO)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]C)(SiC3)	C(C[6]C[5,6]C[6]O)(OC)(O)	111.1820	0.000	1	111.1820	0.000	1	111.1820	0.000	1	111.0558	0.283	4	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:4:	4:2:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OC)	O(C[6]C[6]2C)(CHHO)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)(OC){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	O(C[6]C[6]2C)(CHHO)	C(C[6]C[6]2O)(OC)(O)	110.6420	0.000	2	110.6420	0.000	2	110.6420	0.000	2	111.0558	0.283	4	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:4:	4:2:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:Si-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(COO)(OSi)	O(C[6]C[6]2C)(SiC3)	C(C[6]C[6]2O)(OC)(O)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(COO)(OSi){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2C)(SiC3)	C(C[6]C[6]2O)(OC)(O)	111.7570	0.000	1	111.7570	0.000	1	111.7570	0.000	1	111.0558	0.283	4	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:4:	4:3:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:C-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)2(CNO)(OC)	O(C[6]C[6]2C)(CH3)	C(C[6]C[6]2O)(NHH)(O)	C[6](C[6]C[6]HH)2(CNO)(OC){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(CH3)	C(C[6]C[6]2O)(NHH)(O)	108.9430	1.235	3	108.9430	1.525	3	108.9430	1.525	3	108.9430	1.525	3	108.5488	6.497	142	108.3974	6.801	149
466	893	930	0:SP3_SP2_SP3	C[6]	O	C	4:4:3:2:	4:4:	4:4:1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:Si-4:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]HH)2(CCO)(OSi)	O(C[6]C[6]2C)(SiC3)	C(C[6]C[6]2O)(CC[5a]HH)(O)	C[6](C[6]C[6]HH)2(CCO)(OSi){1|C<4>,4|H<1>}	O(C[6]C[6]2C)(SiC3)	C(C[6]C[6]2O)(CC[5a]HH)(O)	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	108.5488	6.497	142	108.3974	6.801	149
466	893	941	0:SP3_SP2_SP2	C[6]	O	N	4:4:2:2:	4:3:	4:1:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:C-3:	C[6]-4:O-1:	C[6](C[6]C[6]HH)2(NO)(OC)	O(C[6]C[6]2N)(CC[6a]O)	N(C[6]C[6]2O)(O)	C[6](C[6]C[6]HH)2(NO)(OC){1|C<4>,4|H<1>}	O(C[6]C[6]2N)(CC[6a]O)	N(C[6]C[6]2O)(O)	112.1570	0.000	1	112.1570	0.000	1	109.1238	19.528	4	109.1238	19.528	4	110.5688	25.087	5	110.5688	25.087	5
466	893	941	0:SP3_SP2_SP2	C[6]	O	N	4:4:2:2:	4:3:	4:1:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:C-3:	C[6]-4:O-1:	C[6](C[6]O[6]HH)2(NO)(OC)	O(C[6]C[6]2N)(CC[6a]O)	N(C[6]C[6]2O)(O)	C[6](C[6]O[6]HH)2(NO)(OC){1|C<4>}	O(C[6]C[6]2N)(CC[6a]O)	N(C[6]C[6]2O)(O)	108.1127	4.812	3	108.1127	23.159	3	109.1238	19.528	4	109.1238	19.528	4	110.5688	25.087	5	110.5688	25.087	5
466	893	941	0:SP3_SP2_SP2	C[6]	O	N	4:4:2:2:	4:3:	4:3:	C[6]-4:C[6]-4:N-2:O-2:	C[6]-4:C-3:	C[6]-4:N-3:	C[6](C[6]O[6]HH)2(NN)(OC)	O(C[6]C[6]2N)(CCO)	N(C[6]C[6]2O)(NC[6]O)	C[6](C[6]O[6]HH)2(NN)(OC){1|C<4>}	O(C[6]C[6]2N)(CCO)	N(C[6]C[6]2O)(NC[6]O)	116.3490	0.000	1	116.3490	0.000	1	116.3490	0.000	1	116.3490	0.000	1	110.5688	25.087	5	110.5688	25.087	5
466	893	941	0:SP3_SP2_SP3	C[6]	O	N	4:2:2:2:	4:4:	4:1:	C[6]-4:O[6]-2:N-2:O-2:	C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC)	O(C[6]C[6]O[6]N)(CCHH)	N(C[6]C[6]O[6]O)(H)	C[6](C[6]C[6]ClC)(O[6]C[6,6a])(NH)(OC){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]N)(CCHH)	N(C[6]C[6]O[6]O)(H)	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:2:2:1:	4:3:	4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]2C)(O[6,6]C[3x6])(OC)(H)	O(C[6,6]C[3x6]O[6,6]H)(CC[6a]O)	H(C[6,6]C[3x6]O[6,6]O)	C[6,6](C[3x6]C[5,6,6]2C)(O[6,6]C[3x6])(OC)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[3x6]O[6,6]H)(CC[6a]O)	H(C[6,6]C[3x6]O[6,6]O)	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:3:2:1:	4:3:	4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H)	O(C[6,6]C[3x6]C[6,6]H)(CCO)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CCO)	H(C[6,6]C[3x6]C[6,6]O)	109.4780	0.000	1	109.4780	0.000	1	110.0025	0.550	2	109.9264	0.215	5	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:3:2:1:	4:3:	4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OC)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	H(C[6,6]C[3x6]C[6,6]O)	110.5270	0.000	1	110.5270	0.000	1	110.0025	0.550	2	109.9264	0.215	5	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:3:2:1:	4:3:	4:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OC)(H)	O(C[6,6]C[4x6]C[6,6]H)(CC[6a]O)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OC)(H){4|C<4>,6|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(CC[6a]O)	H(C[6,6]C[4x6]C[6,6]O)	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.9264	0.215	5	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:3:2:1:	4:3:	4:	C[6x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OC)(H)	O(C[6,6]C[6,6]C[6x6]H)(CCO)	H(C[6,6]C[6,6]C[6x6]O)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OC)(H){1|C<3>,4|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6x6]H)(CCO)	H(C[6,6]C[6,6]C[6x6]O)	110.0675	0.267	2	110.0675	0.071	2	110.0675	0.071	2	109.9264	0.215	5	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H)	O(C[6,6]C[3x6]2H)(CCO)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3,6]C[4x6]H)(C[3x6]C[6,6]2C)(OC)(H){3|C<4>,3|O<2>,4|H<1>}	O(C[6,6]C[3x6]2H)(CCO)	H(C[6,6]C[3x6]2O)	109.2100	0.000	1	109.2100	0.000	1	109.8564	0.678	90	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H)	O(C[6,6]C[3x6]2H)(CC[6a]O)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(CC[6a]O)	H(C[6,6]C[3x6]2O)	110.5616	0.589	5	110.5616	0.347	5	109.8564	0.678	90	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H)	O(C[6,6]C[3x6]2H)(CCO)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OC)(H){8|C<4>}	O(C[6,6]C[3x6]2H)(CCO)	H(C[6,6]C[3x6]2O)	108.3955	0.474	2	108.3955	0.225	2	109.8564	0.678	90	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H)	O(C[6,6]C[3x6]2H)(CC[6a]O)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(OC)(H){2|H<1>,2|O<1>,4|C<4>}	O(C[6,6]C[3x6]2H)(CC[6a]O)	H(C[6,6]C[3x6]2O)	109.0920	0.949	2	109.0920	0.900	2	109.8564	0.678	90	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H)	O(C[6,6]C[3x6]2H)(CCO)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OC)(H){2|C<4>,8|H<1>}	O(C[6,6]C[3x6]2H)(CCO)	H(C[6,6]C[3x6]2O)	109.8950	0.000	1	109.8950	0.000	1	109.8564	0.678	90	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	O(C[6,6]C[3x6]2H)(CCO)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,7|H<1>}	O(C[6,6]C[3x6]2H)(CCO)	H(C[6,6]C[3x6]2O)	109.5710	0.000	1	109.5067	0.112	6	109.8564	0.678	90	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	O(C[6,6]C[3x6]2H)(CCO)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,8|H<1>}	O(C[6,6]C[3x6]2H)(CCO)	H(C[6,6]C[3x6]2O)	109.4938	0.372	5	109.5067	0.112	6	109.8564	0.678	90	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OC)(H)	O(C[6,6]C[3x6]2H)(CC[6a]O)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OC)(H){2|C<4>,8|H<1>}	O(C[6,6]C[3x6]2H)(CC[6a]O)	H(C[6,6]C[3x6]2O)	109.4337	0.428	3	109.4337	0.183	3	109.8564	0.678	90	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2I)2(OC)(H)	O(C[6,6]C[3x6]2H)(CCN)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2I)2(OC)(H){2|C<4>,8|H<1>}	O(C[6,6]C[3x6]2H)(CCN)	H(C[6,6]C[3x6]2O)	110.3970	0.000	1	110.3970	0.000	1	109.8564	0.678	90	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	O(C[6,6]C[3x6]2H)(CCO)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(CCO)	H(C[6,6]C[3x6]2O)	109.8930	0.816	12	109.8930	0.666	12	109.8564	0.678	90	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	O(C[6,6]C[3x6]2H)(CC[5,5,6]O)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(CC[5,5,6]O)	H(C[6,6]C[3x6]2O)	109.5280	0.000	1	109.5280	0.000	1	109.8564	0.678	90	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	O(C[6,6]C[3x6]2H)(CC[6a]O)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(CC[6a]O)	H(C[6,6]C[3x6]2O)	109.9219	0.858	54	109.9219	0.736	54	109.8564	0.678	90	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	O(C[6,6]C[3x6]2H)(COO)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(COO)	H(C[6,6]C[3x6]2O)	110.4440	0.000	1	110.4440	0.000	1	109.8564	0.678	90	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	O(C[6,6]C[3x6]2H)(COS)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(COS)	H(C[6,6]C[3x6]2O)	109.9770	0.000	1	109.9770	0.000	1	109.8564	0.678	90	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OC[6a])(H)	O(C[6,6]C[3x6]2H)(C[6a]C[6a]2)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OC[6a])(H){2|C<4>,8|H<1>}	O(C[6,6]C[3x6]2H)(C[6a]C[6a]2)	H(C[6,6]C[3x6]2O)	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H)	O(C[6,6]C[3x6]C[6,6]H)(CCO)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CCO)	H(C[6,6]C[3x6]C[6,6]O)	109.6457	0.164	4	109.6457	0.027	4	109.8991	0.264	7	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	O(C[6,6]C[3x6]C[6,6]H)(CCO)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CCO)	H(C[6,6]C[3x6]C[6,6]O)	109.8505	0.097	2	109.8505	0.009	2	109.8991	0.264	7	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]O)	H(C[6,6]C[3x6]C[6,6]O)	111.0100	0.000	1	111.0100	0.000	1	109.8991	0.264	7	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[4,5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H)	O(C[6,6]C[4,5,6,6]C[6,6]H)(CC[6a]O)	H(C[6,6]C[4,5,6,6]C[6,6]O)	C[6,6](C[4,5,6,6]C[4,5,6]2C[5])(C[6,6]C[5,6,6]HH)(OC)(H){1|O<1>,3|H<1>,5|C<4>}	O(C[6,6]C[4,5,6,6]C[6,6]H)(CC[6a]O)	H(C[6,6]C[4,5,6,6]C[6,6]O)	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(CC[6a]O)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC)(H){3|C<4>,4|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(CC[6a]O)	H(C[6,6]C[4,6,6]C[6,6]O)	109.0666	0.764	7	109.0666	0.584	7	109.0666	0.584	7	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H)	O(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OC[6a])(H){3|C<4>,4|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(C[6a]C[6a]2)	H(C[6,6]C[4,6,6]C[6,6]O)	109.1855	1.095	2	109.1855	1.200	2	109.1855	1.200	2	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	H(C[6,6]C[5,3x6]C[3x6]O)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	H(C[6,6]C[5,3x6]C[3x6]O)	106.3270	0.000	1	108.4123	3.512	3	108.6630	2.593	4	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	H(C[6,6]C[5,3x6]C[3x6]O)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	O(C[6,6]C[5,3x6]C[3x6]H)(CCO)	H(C[6,6]C[5,3x6]C[3x6]O)	109.4550	0.709	2	108.4123	3.512	3	108.6630	2.593	4	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H)	O(C[6,6]C[5,3x6]C[3x6]H)(CC[6a]O)	H(C[6,6]C[5,3x6]C[3x6]O)	C[6,6](C[5,3x6]C[5,5,6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6,6]C[5,3x6]C[3x6]H)(CC[6a]O)	H(C[6,6]C[5,3x6]C[3x6]O)	109.4150	0.000	1	109.4150	0.000	1	108.6630	2.593	4	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6,6]C[5,6]O[6]C)(OC)(H)	O(C[6,6]C[5,6,6]C[6,6]H)(CCO)	H(C[6,6]C[5,6,6]C[6,6]O)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C)(C[6,6]C[5,6]O[6]C)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	O(C[6,6]C[5,6,6]C[6,6]H)(CCO)	H(C[6,6]C[5,6,6]C[6,6]O)	110.4360	0.181	2	110.4360	0.033	2	110.4360	0.033	2	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H)	O(C[6,6]C[6,6]2H)(CC[6a]O)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(OC)(H){2|C<4>,2|H<1>}	O(C[6,6]C[6,6]2H)(CC[6a]O)	H(C[6,6]C[6,6]2O)	108.5760	0.000	1	108.5760	0.000	1	108.2615	0.198	2	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6,6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H)	O(C[6,6]C[6,6]2H)(CCO)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[5,6]O[6]H)2(OC)(H){1|Si<4>,1|C<4>,1|O<2>,1|S<3>,2|H<1>}	O(C[6,6]C[6,6]2H)(CCO)	H(C[6,6]C[6,6]2O)	107.9470	0.000	1	107.9470	0.000	1	108.2615	0.198	2	109.7294	0.826	116	109.7348	0.795	122	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	2:4:2:1:	4:3:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	108.9890	0.000	1	108.9890	0.000	1	109.0610	0.010	2	109.0610	0.010	2	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	2:4:2:1:	4:3:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]O)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CC[6a]O)	H(C[6]C[6]O[6]O)	109.1330	0.000	1	109.1330	0.000	1	109.0610	0.010	2	109.0610	0.010	2	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:2:2:1:	4:3:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]O)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]O)	H(C[6]C[6]O[6]O)	108.5040	0.000	1	108.5040	0.000	1	108.5040	0.000	1	108.9247	0.135	3	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:2:2:1:	4:3:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6a]C)(O[6]C[6])(OC[6a])(H){2|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	109.1840	0.000	1	109.1840	0.000	1	109.1350	0.005	2	108.9247	0.135	3	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:2:2:1:	4:3:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]O)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	109.0860	0.000	1	109.0860	0.000	1	109.1350	0.005	2	108.9247	0.135	3	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:3:2:1:	4:3:	4:	C[5a,6]-3:N[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H)	O(C[6]C[5a,6]N[6]H)(CC[5]O)	H(C[6]C[5a,6]N[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[5a,6]N[6]H)(CC[5]O)	H(C[6]C[5a,6]N[6]O)	108.1800	0.000	1	108.1800	0.000	1	108.1800	0.000	1	109.3722	15.092	6	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H)	O(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]C[6]O)	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	109.3722	15.092	6	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H)	O(C[6]C[6,6a]N[6]H)(CC[5]O)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6]H)(CC[5]O)	H(C[6]C[6,6a]N[6]O)	104.9540	0.000	1	104.9540	0.000	1	104.9540	0.000	1	109.3722	15.092	6	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H)	O(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]O)	107.7490	0.000	1	107.7490	0.000	1	107.7490	0.000	1	109.3722	15.092	6	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:3:2:1:	4:3:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(OC)(H)	O(C[6]C[6]N[6]H)(CCO)	H(C[6]C[6]N[6]O)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	O(C[6]C[6]N[6]H)(CCO)	H(C[6]C[6]N[6]O)	110.0120	0.000	1	110.0120	0.000	1	113.2685	21.210	2	109.3722	15.092	6	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:3:2:1:	4:3:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H)	O(C[6]C[6]N[6]H)(CCO)	H(C[6]C[6]N[6]O)	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	O(C[6]C[6]N[6]H)(CCO)	H(C[6]C[6]N[6]O)	116.5250	0.000	1	116.5250	0.000	1	113.2685	21.210	2	109.3722	15.092	6	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	3:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	109.6790	0.000	1	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[5,6]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H)	O(C[6]C[5,6]2H)(CCO)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<3>,5|C<4>}	O(C[6]C[5,6]2H)(CCO)	H(C[6]C[5,6]2O)	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	110.1130	0.000	1	110.1130	0.000	1	109.5800	0.568	2	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.0470	0.000	1	109.0470	0.000	1	109.5800	0.568	2	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H)	O(C[6]C[5a,6]C[6,6]H)(CC[6a]O)	H(C[6]C[5a,6]C[6,6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O(C[6]C[5a,6]C[6,6]H)(CC[6a]O)	H(C[6]C[5a,6]C[6,6]O)	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5a,6]C[6]H)(CCO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(CCO)	H(C[6]C[5a,6]C[6]O)	105.5350	0.000	1	105.5350	0.000	1	109.0570	5.621	4	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H)	O(C[6]C[5a,6]C[6]H)(CCO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O(C[6]C[5a,6]C[6]H)(CCO)	H(C[6]C[5a,6]C[6]O)	110.3240	0.000	1	110.3240	0.000	1	109.0570	5.621	4	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H)	O(C[6]C[5a,6]C[6]H)(CCO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H){2|H<1>,4|C<3>}	O(C[6]C[5a,6]C[6]H)(CCO)	H(C[6]C[5a,6]C[6]O)	110.5780	0.000	1	110.5780	0.000	1	109.0570	5.621	4	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5a,6]C[6]H)(CC[6a]O)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(CC[6a]O)	H(C[6]C[5a,6]C[6]O)	109.7910	0.000	1	109.7910	0.000	1	109.0570	5.621	4	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.8440	0.000	1	109.8440	0.000	1	109.6512	0.224	9	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OC)(H){1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.2550	0.000	1	109.2550	0.000	1	109.6512	0.224	9	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.2820	0.140	2	109.7922	0.222	5	109.6512	0.224	9	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.1323	0.013	3	109.7922	0.222	5	109.6512	0.224	9	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	108.9090	0.000	1	108.9090	0.000	1	109.6512	0.224	9	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OC)(H){3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.8920	0.000	1	109.8920	0.000	1	109.6512	0.224	9	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]C)(OC)(H)	O(C[6]C[6,6a]C[3,6]H)(CCO)	H(C[6]C[6,6a]C[3,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]C)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[3,6]H)(CCO)	H(C[6]C[6,6a]C[3,6]O)	108.1740	0.000	1	108.1740	0.000	1	108.5517	0.119	3	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H)	O(C[6]C[6,6a]C[3,6]H)(CCO)	H(C[6]C[6,6a]C[3,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[3,6]H)(CCO)	H(C[6]C[6,6a]C[3,6]O)	108.6330	0.000	1	108.6330	0.000	1	108.5517	0.119	3	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H)	O(C[6]C[6,6a]C[3,6]H)(CC[6a]O)	H(C[6]C[6,6a]C[3,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[3,6]H)(CC[6a]O)	H(C[6]C[6,6a]C[3,6]O)	108.8480	0.000	1	108.8480	0.000	1	108.5517	0.119	3	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	O(C[6]C[6,6a]C[5,6]H)(CCO)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(CCO)	H(C[6]C[6,6a]C[5,6]O)	109.8760	0.000	1	109.8760	0.000	1	109.4307	0.178	3	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H)	O(C[6]C[6,6a]C[5,6]H)(CCO)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(CCO)	H(C[6]C[6,6a]C[5,6]O)	109.0370	0.000	1	109.0370	0.000	1	109.4307	0.178	3	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H)	O(C[6]C[6,6a]C[5,6]H)(CC[6a]O)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(CC[6a]O)	H(C[6]C[6,6a]C[5,6]O)	109.3790	0.000	1	109.3790	0.000	1	109.4307	0.178	3	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H)	O(C[6]C[6,6a]C[6,6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6,6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6,6]O)	108.4920	0.187	2	108.4920	0.035	2	108.4920	0.035	2	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	107.9940	0.000	1	107.9940	0.000	1	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]O)	109.9500	0.000	1	109.9500	0.000	1	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	110.2673	0.124	3	110.2673	0.015	3	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	110.4340	0.000	1	110.4340	0.000	1	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]O)	109.5005	0.237	2	109.6320	0.036	5	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]O)	109.7197	0.119	3	109.6320	0.036	5	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	109.5900	0.061	2	109.4120	1.223	6	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	108.9980	0.000	1	109.4120	1.223	6	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	111.2850	0.000	1	109.4120	1.223	6	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	109.1050	0.000	1	109.4120	1.223	6	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]C[6]O)	107.9040	0.000	1	109.4120	1.223	6	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CC[5]O)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H){2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(CC[5]O)	H(C[6]C[6,6a]C[6]O)	109.8270	0.000	1	109.8270	0.000	1	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]O)	108.9497	1.244	4	108.9497	1.546	4	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H){1|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]O)	109.2163	1.128	3	109.2163	1.273	3	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]O)	109.5390	0.000	1	109.5390	0.000	1	109.4856	0.811	26	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.1180	0.000	1	109.1180	0.000	1	108.9605	1.709	15	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.5010	0.000	1	110.5010	0.000	1	108.9605	1.709	15	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	105.8640	0.351	2	105.8640	0.123	2	108.9605	1.709	15	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.9200	0.000	1	109.9200	0.000	1	108.9605	1.709	15	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.2660	0.000	1	109.2953	0.005	3	108.9605	1.709	15	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.3100	0.092	2	109.2953	0.005	3	108.9605	1.709	15	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.3458	0.020	5	109.3458	0.000	5	108.9605	1.709	15	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(OC)(H){2|C<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.1310	0.000	1	109.1310	0.000	1	108.9605	1.709	15	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	3:4:2:1:	4:3:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[5,6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(CC[5,6]O)	H(C[6]C[6]2O)	109.3940	0.000	1	109.3940	0.000	1	108.9605	1.709	15	109.2952	1.104	66	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H)	O(C[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5a]C[5a,6a]C[5a])(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	110.3153	0.168	3	110.3153	0.028	3	110.3153	0.028	3	110.1215	1.225	8	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	107.6880	0.000	1	107.6880	0.000	1	110.0052	2.084	5	110.1215	1.225	8	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	111.1330	0.000	1	111.1330	0.000	1	110.0052	2.084	5	110.1215	1.225	8	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	110.6540	0.000	1	110.6540	0.000	1	110.0052	2.084	5	110.1215	1.225	8	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	3:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	110.2755	1.061	2	110.2755	1.127	2	110.0052	2.084	5	110.1215	1.225	8	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H)	O(C[6]C[5,6]O[6]H)(CCO)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,5,6,6]O[5]H)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[5,6]O[6]H)(CCO)	H(C[6]C[5,6]O[6]O)	109.4860	0.000	1	109.4860	0.000	1	109.5665	0.013	2	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H)	O(C[6]C[5,6]O[6]H)(CCO)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OC)(H){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]O[6]H)(CCO)	H(C[6]C[5,6]O[6]O)	109.6470	0.000	1	109.6470	0.000	1	109.5665	0.013	2	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC[5])(H)	O(C[6]C[5,6]O[6]H)(C[5]C[5]2)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC[5])(H){4|C<4>,4|H<1>}	O(C[6]C[5,6]O[6]H)(C[5]C[5]2)	H(C[6]C[5,6]O[6]O)	110.1440	0.000	1	110.1440	0.000	1	110.1440	0.000	1	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(O[6]C[5,6])(OC)(H)	O(C[6]C[6,6]O[6]H)(CCO)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[5,3x6]O[6]H)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6,6]O[6]H)(CCO)	H(C[6]C[6,6]O[6]O)	109.9930	0.000	1	109.9930	0.000	1	109.5293	0.161	3	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(OC)(H)	O(C[6]C[6,6]O[6]H)(CCO)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6]3)(O[6]C[6])(OC)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6]O[6]H)(CCO)	H(C[6]C[6,6]O[6]O)	109.2975	0.019	2	109.2975	0.000	2	109.5293	0.161	3	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]O)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]O)	H(C[6]C[6]O[6]O)	109.2060	0.000	1	109.2060	0.000	1	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	108.7780	0.000	1	108.9965	0.095	2	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	109.2150	0.000	1	108.9965	0.095	2	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]O)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FF)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	O(C[6]C[6]O[6]H)(CC[6a]O)	H(C[6]C[6]O[6]O)	111.4860	0.000	1	111.4860	0.000	1	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	110.9800	0.000	1	110.9800	0.000	1	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CCH)	H(C[6]C[6]O[6]O)	111.4930	0.000	1	111.4930	0.000	1	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HI)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	109.7060	0.000	1	109.7060	0.000	1	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]O)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]O)	H(C[6]C[6]O[6]O)	107.1580	0.000	1	107.1580	0.000	1	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	110.7458	0.527	4	110.7458	0.278	4	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[4,6])(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[4,6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	109.5250	0.267	4	109.5250	0.071	4	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(COO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(COO)	H(C[6]C[6]O[6]O)	110.9810	0.000	1	110.9810	0.000	1	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCH)	H(C[6]C[6]O[6]O)	110.8740	0.000	1	110.8740	0.000	1	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCN)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCN)	H(C[6]C[6]O[6]O)	108.3780	0.000	1	109.0040	0.784	2	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCN)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCN)	H(C[6]C[6]O[6]O)	109.6300	0.000	1	109.0040	0.784	2	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	110.5763	1.235	3	110.4355	1.233	13	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	111.0450	0.000	1	110.4355	1.233	13	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	111.1590	0.137	2	110.4355	1.233	13	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]O)	110.0814	1.250	7	110.4355	1.233	13	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]C)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]C)	H(C[6]C[6]O[6]O)	111.1600	0.000	1	111.1600	0.000	1	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]O)	H(C[6]C[6]O[6]O)	C[6](C[6]O[6]HH)(O[6]C[6])(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]O)	H(C[6]C[6]O[6]O)	109.1390	0.000	1	109.1390	0.000	1	110.1408	1.283	35	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	110.5510	0.184	2	110.5510	0.034	2	110.0024	1.132	86	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	110.9755	0.190	2	110.9755	0.036	2	110.0024	1.132	86	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6a])(H){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	109.1082	0.595	5	109.1082	0.353	5	110.0024	1.132	86	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	111.3530	0.000	1	110.0210	1.161	77	110.0024	1.132	86	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	107.5350	0.000	1	110.0210	1.161	77	110.0024	1.132	86	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	111.2070	0.000	1	110.0210	1.161	77	110.0024	1.132	86	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H)	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6a]C[6a]2)	H(C[6]C[6]O[6]O)	110.0205	1.039	74	110.0210	1.161	77	110.0024	1.132	86	110.0236	1.126	127	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC[6a])(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.6750	0.000	1	109.6750	0.000	1	110.2289	2.883	10	110.2289	2.883	10	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.2830	0.000	1	108.2830	0.000	1	110.2289	2.883	10	110.2289	2.883	10	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC[6a])(H){1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.3327	0.019	3	109.3327	0.000	3	110.2289	2.883	10	110.2289	2.883	10	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC[6a])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	111.0550	0.000	1	111.0550	0.000	1	110.2289	2.883	10	110.2289	2.883	10	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC[6a])(H)	O(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC[6a])(H){1|C<4>,4|H<1>}	O(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)	H(C[6]C[6]2O)	108.2270	0.000	1	108.2270	0.000	1	110.2289	2.883	10	110.2289	2.883	10	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC[6a])(H){1|C<4>,3|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	111.4370	0.000	1	111.4370	0.000	1	110.2289	2.883	10	110.2289	2.883	10	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	3:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC[6a])(H){1|C<4>,1|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	112.8070	0.000	2	112.8070	0.000	2	110.2289	2.883	10	110.2289	2.883	10	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OC)(H)	O(C[6]C[3,6]C[6]H)(CC[6a]O)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[3,6]C[6]H)(CC[6a]O)	H(C[6]C[3,6]C[6]O)	105.6290	0.000	1	105.6290	0.000	1	105.6290	0.000	1	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H)	O(C[6]C[6,6a]C[3x6]H)(CC[6a]O)	H(C[6]C[6,6a]C[3x6]O)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H){2|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6a]C[3x6]H)(CC[6a]O)	H(C[6]C[6,6a]C[3x6]O)	105.1810	0.000	1	105.1810	0.000	1	105.1810	0.000	1	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OC)(H)	O(C[6]C[3x6]C[6]H)(CCO)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OC)(H){1|C<3>,7|C<4>}	O(C[6]C[3x6]C[6]H)(CCO)	H(C[6]C[3x6]C[6]O)	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H)	O(C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[5,5,6,6]C[6,6a]O)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	O(C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[5,5,6,6]C[6,6a]O)	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H)	O(C[6]C[5,5,6]C[6]H)(CCO)	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(OC)(H){1|O<1>,2|H<1>,6|C<4>}	O(C[6]C[5,5,6]C[6]H)(CCO)	H(C[6]C[5,5,6]C[6]O)	110.0770	0.000	1	110.0770	0.000	1	109.9065	0.058	2	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H)	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(OC)(H){4|C<4>,4|H<1>}	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,5,6]C[6]O)	109.7360	0.000	1	109.7360	0.000	1	109.9065	0.058	2	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H)	O(C[6]C[5,6,6]C[6]H)(CCO)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]O[6]O)(OC)(H){1|C<3>,1|O<2>,4|C<4>}	O(C[6]C[5,6,6]C[6]H)(CCO)	H(C[6]C[5,6,6]C[6]O)	105.7275	6.862	2	105.7275	47.094	2	106.8190	27.121	3	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(OC)(H)	O(C[6]C[5,6,6]C[6]H)(CCO)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(OC)(H){1|C<3>,4|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(CCO)	H(C[6]C[5,6,6]C[6]O)	109.0020	0.000	1	109.0020	0.000	1	106.8190	27.121	3	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(OC)(H){1|C<3>,1|O<1>,6|C<4>}	O(C[6]C[5,6]C[6,6]H)(CCO)	H(C[6]C[5,6]C[6,6]O)	108.5180	0.000	1	108.5180	0.000	1	108.3963	0.430	3	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H)	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OC)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	H(C[6]C[5,6]C[6,6]O)	108.3355	0.916	2	108.3355	0.839	2	108.3963	0.430	3	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.2260	0.025	2	108.2260	0.001	2	109.1096	0.460	14	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	107.9780	0.000	1	107.9780	0.000	1	109.1096	0.460	14	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.4200	0.000	1	109.4200	0.000	1	109.1096	0.460	14	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.0470	0.049	2	109.0470	0.002	2	109.1096	0.460	14	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.6025	0.203	2	109.6025	0.041	2	109.1096	0.460	14	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.6695	0.258	2	108.6695	0.067	2	109.1096	0.460	14	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	110.1950	0.000	1	110.1950	0.000	1	109.1096	0.460	14	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OC)(H){3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.7820	0.000	1	109.7820	0.000	1	109.1096	0.460	14	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.3710	0.000	1	109.5345	0.053	2	109.1096	0.460	14	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.6980	0.000	1	109.5345	0.053	2	109.1096	0.460	14	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[5,6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H)	O(C[6]C[5,6]N[6]H)(CCO)	H(C[6]C[5,6]N[6]O)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H){1|N<3>,4|C<3>}	O(C[6]C[5,6]N[6]H)(CCO)	H(C[6]C[5,6]N[6]O)	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	O(C[6]C[5,6]C[6,6]H)(CCO)	H(C[6]C[5,6]C[6,6]O)	110.0230	0.000	1	110.0230	0.000	1	110.0230	0.000	1	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[5a,6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H)	O(C[6]C[5a,6]C[6,6]H)(CCO)	H(C[6]C[5a,6]C[6,6]O)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[5a,6]C[6,6]H)(CCO)	H(C[6]C[5a,6]C[6,6]O)	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H)	O(C[6]C[6,6]2H)(CCO)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]C[6])(OC)(H){2|C<3>,5|C<4>}	O(C[6]C[6,6]2H)(CCO)	H(C[6]C[6,6]2O)	109.1180	0.000	1	109.1180	0.000	1	109.1180	0.000	1	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	O(C[6]C[6,6a]C[6,6]H)(CCO)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6,6]H)(CCO)	H(C[6]C[6,6a]C[6,6]O)	110.5450	0.000	1	110.5450	0.000	1	110.5450	0.000	1	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.1610	0.000	1	110.1610	0.000	1	108.8491	0.647	8	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H){3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	107.9340	0.799	2	107.9340	0.638	2	108.8491	0.647	8	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OC)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	109.1800	0.000	1	109.1800	0.000	1	108.8491	0.647	8	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.3390	0.000	1	109.3390	0.000	1	108.8491	0.647	8	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	108.9930	0.000	1	108.9930	0.000	1	108.8491	0.647	8	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCC)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCC)	H(C[6]C[6,6]C[6]O)	108.5150	0.000	1	108.5150	0.000	1	108.8491	0.647	8	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(OC)(H){3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.7370	0.000	1	108.7370	0.000	1	108.8491	0.647	8	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(OC)(H){4|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.5540	0.105	2	108.5540	0.011	2	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.8030	0.000	2	108.8030	0.000	2	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.7745	0.902	2	108.7745	0.813	2	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(OC)(H){1|H<1>,4|C<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.6570	0.000	1	109.6570	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC)(H){1|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.8080	0.000	1	109.8080	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.1620	0.000	1	108.1620	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	109.3040	0.000	1	109.3040	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.2100	0.000	1	108.2100	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CS)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CS)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.9760	0.000	1	108.9760	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.4390	0.000	1	109.4390	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.4540	0.000	1	109.4540	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.1953	0.562	3	109.0315	0.318	4	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.5400	0.000	1	109.0315	0.318	4	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.2705	0.513	2	108.2705	0.263	2	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	107.4070	2.465	2	109.5682	2.700	11	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.2875	1.272	6	109.5682	2.700	11	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.2760	0.000	1	109.5682	2.700	11	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.7175	0.508	2	109.5682	2.700	11	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)(H){1|H<1>,1|I<1>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.2110	0.000	1	109.2110	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	103.7860	0.000	1	103.7860	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	109.8330	0.000	1	109.8330	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.9800	0.000	1	108.9800	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.1840	0.000	1	109.1840	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.4640	0.000	1	109.4640	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	105.8260	0.000	1	107.4695	5.402	2	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.1130	0.000	1	107.4695	5.402	2	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OC)(H){1|C<4>,1|I<1>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.9180	0.000	1	109.9180	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.9410	0.000	1	109.0993	2.365	10	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	105.3790	0.000	1	109.0993	2.365	10	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.8530	1.360	3	109.0993	2.365	10	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.9800	0.000	1	109.0993	2.365	10	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Cl<1>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.2430	0.000	1	109.0993	2.365	10	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.2970	0.535	3	109.0993	2.365	10	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	109.8720	0.000	1	109.8720	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.4980	0.000	1	109.6855	0.070	2	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.8730	0.000	1	109.6855	0.070	2	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.4870	0.000	1	110.4870	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5580	0.000	1	109.5580	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<1>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.2260	0.000	1	109.3610	0.036	2	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.4960	0.000	1	109.3610	0.036	2	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.2280	0.000	1	109.2280	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	110.3950	0.000	1	110.3950	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OC)(H){4|C<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.2780	0.000	1	110.2780	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]N[6]C)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]O[6]CC)(C[6]N[6]C)(OC)(H){1|C<4>,1|O<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.7330	0.000	1	108.7330	0.000	1	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.5930	0.182	5	110.3830	0.291	6	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.3330	0.000	1	110.3830	0.291	6	109.2304	1.747	67	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H)	O(C[6]C[6]N[6]H)(CC[6a]O)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]N[6]H)(CC[6a]O)	H(C[6]C[6]N[6]O)	110.0960	0.000	1	110.0960	0.000	1	110.0960	0.000	1	109.0515	2.219	107	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H)	O(C[5]C[5,6a]N[5])(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC[5])(H){1|C<4>,4|H<1>}	O(C[5]C[5,6a]N[5])(C[6]C[6]2H)	H(C[6]C[6]2O)	109.7210	0.164	2	109.7210	0.027	2	109.7210	0.027	2	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6])(H)	O(C[6]C[6,6a]C[6])(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6])(H){1|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])(C[6]C[6]2H)	H(C[6]C[6]2O)	109.3480	0.416	2	109.3480	0.173	2	109.3480	0.173	2	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OC[6a])(H){2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.3070	0.272	2	108.3070	0.074	2	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC[6a])(H){2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	110.2320	0.000	1	110.2320	0.000	1	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.9087	0.472	3	109.7986	0.223	5	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.6335	0.598	2	109.7986	0.223	5	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H)	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6a])(H){2|C<4>,3|H<1>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	H(C[6]C[6]2O)	109.4715	0.136	2	109.4715	0.019	2	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC[6a])(H){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.4770	0.000	1	109.4770	0.000	1	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	O(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	O(C[6a]C[6,6a]C[6a])(C[6]C[6]2H)	H(C[6]C[6]2O)	110.2290	0.000	1	110.2290	0.000	1	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)	H(C[6]C[6]2O)	109.3100	0.223	5	109.3100	0.050	5	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6a])(H){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.5340	0.552	15	109.5340	0.305	15	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){1|C<4>,1|S<4>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	100.9570	0.000	1	105.2940	37.619	2	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC[6a])(H){2|C<4>,2|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.6310	0.000	1	105.2940	37.619	2	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|C<4>,4|H<1>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.9243	1.274	4	109.9744	1.201	11	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(H)	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|N<3>,4|C<4>}	O(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	110.5744	0.187	7	109.9744	1.201	11	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(H)	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|N<3>,4|C<4>}	O(C[6a]C[6a]N[6a])(C[6]C[6]2H)	H(C[6]C[6]2O)	110.6040	0.000	1	110.6040	0.000	1	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6a])(H)	O(C[6a]N[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6a])(H){1|C<4>,4|H<1>}	O(C[6a]N[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.7347	0.115	3	109.7347	0.013	3	109.4727	2.060	49	109.4774	1.908	53	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H)	O(C[6]C[6]2H)(NC)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(NC)	H(C[6]C[6]2O)	109.2790	0.038	2	109.2790	0.001	2	109.2790	0.001	2	109.1890	0.025	3	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-2:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	O(C[6]C[6]2H)(SC[6a])	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(SC[6a])	H(C[6]C[6]2O)	109.0090	0.000	1	109.0090	0.000	1	109.0090	0.000	1	109.1890	0.025	3	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OC)(H)	O(C[6]C[3,6]C[6,6]H)(CCO)	H(C[6]C[3,6]C[6,6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OC)(H){1|H<1>,3|C<3>}	O(C[6]C[3,6]C[6,6]H)(CCO)	H(C[6]C[3,6]C[6,6]O)	109.8290	0.433	2	109.8290	0.187	2	109.8290	0.187	2	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[3,6]C[6]H)(CN[5a]S)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[3,6]C[6]H)(CN[5a]S)	H(C[6]C[3,6]C[6]O)	109.1460	0.000	1	109.1460	0.000	1	109.1442	0.492	8	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H)	O(C[6]C[3,6]C[6]H)(CCO)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[3,6]C[6]H)(CCO)	H(C[6]C[3,6]C[6]O)	107.6700	0.000	1	107.6700	0.000	1	109.1442	0.492	8	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H)	O(C[6]C[3,6]C[6]H)(CCO)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[6]H)(CCO)	H(C[6]C[3,6]C[6]O)	109.1750	0.000	1	109.1750	0.000	1	109.1442	0.492	8	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[3,6]C[6]H)(CCO)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	O(C[6]C[3,6]C[6]H)(CCO)	H(C[6]C[3,6]C[6]O)	109.0740	0.000	1	109.0740	0.000	1	109.1442	0.492	8	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[3,6]C[6]H)(CC[6a]O)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[6]H)(CC[6a]O)	H(C[6]C[3,6]C[6]O)	110.1300	0.000	1	110.1300	0.000	1	109.1442	0.492	8	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	O(C[6]C[3,6]C[6]H)(CCO)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]HH)(OC)(H){3|C<4>,4|H<1>}	O(C[6]C[3,6]C[6]H)(CCO)	H(C[6]C[3,6]C[6]O)	109.1020	0.000	1	109.1020	0.000	1	109.1442	0.492	8	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H)	O(C[6]C[3,6]C[6]H)(CC[6a]O)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]HH)(OC)(H){2|C<4>,5|H<1>}	O(C[6]C[3,6]C[6]H)(CC[6a]O)	H(C[6]C[3,6]C[6]O)	109.1750	0.000	1	109.1750	0.000	1	109.1442	0.492	8	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H)	O(C[6]C[3,6]C[6]H)(CCO)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HO)(OC)(H){3|C<4>,4|H<1>}	O(C[6]C[3,6]C[6]H)(CCO)	H(C[6]C[3,6]C[6]O)	109.6820	0.000	1	109.6820	0.000	1	109.1442	0.492	8	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[3x6]C[6]H)(CCO)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[3x6]C[6]H)(CCO)	H(C[6]C[3x6]C[6]O)	109.0140	0.000	1	108.8355	0.064	2	108.8355	0.064	2	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[3x6]C[6]H)(CCO)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	O(C[6]C[3x6]C[6]H)(CCO)	H(C[6]C[3x6]C[6]O)	108.6570	0.000	1	108.8355	0.064	2	108.8355	0.064	2	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[4,6]C[6]H)(CCO)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[4,6]C[6]H)(CCO)	H(C[6]C[4,6]C[6]O)	107.3695	1.152	2	108.5378	2.651	4	108.2205	1.832	6	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[4,6]C[6]H)(CCO)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OC)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[4,6]C[6]H)(CCO)	H(C[6]C[4,6]C[6]O)	109.7060	1.080	2	108.5378	2.651	4	108.2205	1.832	6	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H)	O(C[6]C[4,6]C[6]H)(COO)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[4,6]C[6]H)(COO)	H(C[6]C[4,6]C[6]O)	107.5860	0.000	2	107.5860	0.000	2	108.2205	1.832	6	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[4x6]C[6]H)(CCO)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[4x6]C[6]H)(CCO)	H(C[6]C[4x6]C[6]O)	108.7620	0.000	1	109.1607	0.120	3	109.1548	0.080	4	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[4x6]C[6]H)(CCO)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[4x6]C[6]H)(CCO)	H(C[6]C[4x6]C[6]O)	109.3600	0.041	2	109.1607	0.120	3	109.1548	0.080	4	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[4x6]C[5,5x6]C[5x6]H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[4x6]C[6]H)(CCO)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[5,5x6]C[5x6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[4x6]C[6]H)(CCO)	H(C[6]C[4x6]C[6]O)	109.1370	0.000	1	109.1370	0.000	1	109.1548	0.080	4	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,5,6,6]C[6]H)(CCO)	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[5,5,6,6]C[6]H)(CCO)	H(C[6]C[5,5,6,6]C[6]O)	109.8500	0.000	1	109.8500	0.000	1	109.8500	0.000	1	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]HH)(OC)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	O(C[6]C[5,5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,5,6]C[6]O)	109.4570	0.000	1	109.4570	0.000	1	109.0900	0.204	3	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H)	O(C[6]C[5,5,6]C[6]H)(CCO)	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	O(C[6]C[5,5,6]C[6]H)(CCO)	H(C[6]C[5,5,6]C[6]O)	108.9065	0.453	2	108.9065	0.205	2	109.0900	0.204	3	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H)	O(C[6]C[5,6,6]C[5,6]H)(CC[6a]O)	H(C[6]C[5,6,6]C[5,6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6,6]C[5,6]H)(CC[6a]O)	H(C[6]C[5,6,6]C[5,6]O)	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H)	O(C[6]C[5,6,6]C[6,6]H)(CCO)	H(C[6]C[5,6,6]C[6,6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6]C[6,6]2O)(OC)(H){2|O<2>,3|H<1>,6|C<4>}	O(C[6]C[5,6,6]C[6,6]H)(CCO)	H(C[6]C[5,6,6]C[6,6]O)	108.9900	0.000	1	108.9900	0.000	1	109.0100	0.731	3	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H)	O(C[6]C[5,6,6]C[6,6]H)(CCO)	H(C[6]C[5,6,6]C[6,6]O)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]O[6]C)(OC)(H){3|C<3>,5|C<4>}	O(C[6]C[5,6,6]C[6,6]H)(CCO)	H(C[6]C[5,6,6]C[6,6]O)	108.1650	0.000	1	108.1650	0.000	1	109.0100	0.731	3	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H)	O(C[6]C[5,6,6]C[6,6]H)(CCO)	H(C[6]C[5,6,6]C[6,6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[5,6,6]C[6,6]H)(CCO)	H(C[6]C[5,6,6]C[6,6]O)	109.8750	0.000	1	109.8750	0.000	1	109.0100	0.731	3	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H)	O(C[6]C[5,6,6]C[6]H)(CCO)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]O[6]HH)(OC)(H){1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(CCO)	H(C[6]C[5,6,6]C[6]O)	109.2930	0.000	1	109.2930	0.000	1	109.0158	2.264	9	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6,6]C[6]H)(CCO)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,3|C<3>,4|C<4>}	O(C[6]C[5,6,6]C[6]H)(CCO)	H(C[6]C[5,6,6]C[6]O)	109.6490	0.000	1	109.6490	0.000	1	109.0158	2.264	9	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6,6]C[6]O)	109.4355	0.554	2	109.4355	0.307	2	109.0158	2.264	9	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H)	O(C[6]C[5,6,6]C[6]H)(CNO)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[5,6,6]C[6]H)(CNO)	H(C[6]C[5,6,6]C[6]O)	109.2190	0.000	1	109.2190	0.000	1	109.0158	2.264	9	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(OC)(H){2|C<3>,3|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6,6]C[6]O)	108.4690	0.000	1	108.4690	0.000	1	109.0158	2.264	9	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(OC)(H){1|O<2>,5|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6,6]C[6]O)	107.6745	3.378	2	107.6745	11.410	2	109.0158	2.264	9	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6,6]C[6]H)(CCO)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(CCO)	H(C[6]C[5,6,6]C[6]O)	110.2920	0.000	1	110.2920	0.000	1	109.0158	2.264	9	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H)	O(C[6]C[5,6]2H)(CCO)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]C[5]O)2(OC)(H){1|C<3>,1|H<1>,2|O<2>,6|C<4>}	O(C[6]C[5,6]2H)(CCO)	H(C[6]C[5,6]2O)	105.9620	0.000	1	105.9620	0.000	1	107.9747	3.218	6	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	O(C[6]C[5,6]2H)(CC[6a]O)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]2H)(CC[6a]O)	H(C[6]C[5,6]2O)	109.8865	0.056	2	108.3772	2.807	5	107.9747	3.218	6	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H)	O(C[6]C[5,6]2H)(CC[6a]O)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]O[5]H)2(OC)(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]2H)(CC[6a]O)	H(C[6]C[5,6]2O)	107.3710	1.348	3	108.3772	2.807	5	107.9747	3.218	6	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,1|H<1>,7|C<4>}	O(C[6]C[5,6]C[6,6]H)(CCO)	H(C[6]C[5,6]C[6,6]O)	110.4160	0.000	1	109.9965	0.352	2	109.2962	0.715	6	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6,6]H)(CCO)	H(C[6]C[5,6]C[6,6]O)	109.5770	0.000	1	109.9965	0.352	2	109.2962	0.715	6	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6,6]H)(CC[6a]O)	H(C[6]C[5,6]C[6,6]O)	109.1330	0.000	1	109.1330	0.000	1	109.2962	0.715	6	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	O(C[6]C[5,6]C[6,6]H)(CCO)	H(C[6]C[5,6]C[6,6]O)	107.8180	0.000	1	107.8180	0.000	1	109.2962	0.715	6	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6,6]C[6,6]O[6]H)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6,6]H)(CCO)	H(C[6]C[5,6]C[6,6]O)	109.3870	0.000	1	109.3870	0.000	1	109.2962	0.715	6	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H)	O(C[6]C[5,6]C[6,6]H)(CCO)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(OC)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6,6]H)(CCO)	H(C[6]C[5,6]C[6,6]O)	109.4460	0.000	1	109.4460	0.000	1	109.2962	0.715	6	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[3,5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[3,5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	107.6235	3.159	2	107.6235	9.977	2	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5,5a]H)(C[6]N[6]HH)(OC)(H){1|S<4>,2|C<3>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.2690	0.000	1	109.2690	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.1950	0.000	1	108.1950	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	107.7370	0.027	2	107.7370	0.001	2	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.5920	0.000	1	109.5920	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	104.6490	0.000	1	104.6490	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.6170	0.000	1	109.6170	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.6880	0.000	1	109.6880	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.4073	0.374	3	109.4073	0.140	3	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	112.8750	0.000	1	112.8750	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	110.0410	0.000	1	110.0410	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.4280	0.000	1	109.4280	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5]C[6]C)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	110.3600	0.000	1	110.3600	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5,6a]O)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6a]C[5,6a]O)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	110.0395	0.013	2	110.0395	0.000	2	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,6|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.6035	0.049	2	109.6035	0.002	2	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|C<3>,6|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.2855	0.122	2	109.2000	0.029	3	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<3>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.0290	0.000	1	109.2000	0.029	3	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(OC)(H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.4300	0.000	1	108.4300	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	106.7940	0.000	1	106.7940	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.0000	0.000	1	108.0000	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.2450	0.000	1	109.2888	0.319	5	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.2998	0.651	4	109.2888	0.319	5	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	108.9420	0.000	1	108.9420	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CHO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CHO)	H(C[6]C[5,6]C[6]O)	109.3570	0.000	1	109.3570	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.6370	1.385	2	108.6370	1.917	2	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	102.5860	0.000	1	106.7240	34.246	2	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	110.8620	0.000	1	106.7240	34.246	2	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.5690	0.808	2	109.0340	0.975	3	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.9640	0.000	1	109.0340	0.975	3	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]O[6]CO)(OC)(H){3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.4085	0.071	2	108.4085	0.005	2	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.8020	0.000	1	109.7260	0.026	3	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.6880	0.208	2	109.7260	0.026	3	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.8754	0.571	9	108.8754	0.326	9	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(OC)(H){4|H<1>,7|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	110.1620	0.000	1	110.1620	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.2460	0.000	1	109.2460	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.8890	0.000	1	108.7972	0.760	5	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.7742	1.005	4	108.7972	0.760	5	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	110.3620	0.000	1	110.3620	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]CH)(OC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.2038	1.099	6	109.2038	1.208	6	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.3320	0.880	4	109.3320	0.775	4	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	110.2910	0.000	1	110.2910	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	110.0630	0.000	1	110.0630	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.4280	0.000	1	109.4280	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.8040	0.000	1	108.8040	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.7770	0.000	1	109.7770	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[5,5,6]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[5,5,6]O)	H(C[6]C[5,6]C[6]O)	108.5610	0.010	2	108.5610	0.000	2	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	108.9145	1.603	11	108.9145	2.571	11	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.7010	0.000	1	108.7010	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.4580	0.000	1	109.4580	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.4260	0.000	1	109.4260	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	104.1780	0.000	1	108.0078	4.623	5	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.1620	0.000	1	108.0078	4.623	5	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.8997	0.231	3	108.0078	4.623	5	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	110.2110	0.000	1	110.2110	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CNO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CNO)	H(C[6]C[5,6]C[6]O)	108.3430	0.000	1	108.3430	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CNO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CNO)	H(C[6]C[5,6]C[6]O)	108.4490	0.000	1	108.4490	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OC)(H){1|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.7850	0.000	1	108.7850	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	110.8340	0.000	1	110.8340	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.7980	0.000	1	109.7980	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.2760	0.000	1	109.2760	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CNO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CNO)	H(C[6]C[5,6]C[6]O)	110.6015	0.110	2	110.6015	0.012	2	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CSS)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CSS)	H(C[6]C[5,6]C[6]O)	108.9400	0.000	1	108.9400	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CHO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CHO)	H(C[6]C[5,6]C[6]O)	109.9160	0.000	1	109.9160	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.1130	0.000	1	109.1130	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.9660	0.000	1	109.9660	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.4720	0.000	1	108.4720	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(OC)(H){1|O<1>,4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.1830	0.000	1	109.1830	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]CH)(OC)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.7310	0.000	1	109.7310	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.7110	0.000	1	108.7110	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	108.7660	0.000	1	108.7660	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	108.0560	0.000	1	108.0560	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]O)	109.5490	0.000	1	109.5490	0.000	1	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	110.1475	0.452	2	110.1475	0.204	2	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]O)	H(C[6]C[5,6]C[6]O)	109.8685	0.499	2	109.8685	0.249	2	109.0733	1.723	123	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H)	O(C[6]C[6,6]2H)(CCO)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(OC)(H){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	O(C[6]C[6,6]2H)(CCO)	H(C[6]C[6,6]2O)	111.3840	0.000	1	111.3840	0.000	1	111.3840	0.000	1	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.5655	0.405	2	109.5655	0.164	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.8690	0.000	1	109.8690	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.4670	0.000	1	109.4670	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.1570	0.000	1	108.1570	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.7275	1.961	2	110.7275	3.845	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.0780	0.000	1	109.0780	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	105.2860	0.000	1	108.5680	4.823	4	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.6620	0.231	3	108.5680	4.823	4	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]HO)(OC)(H){1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	108.8460	0.000	1	108.8460	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[4]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[4]O)	H(C[6]C[6,6]C[6]O)	107.1270	0.000	1	107.1270	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.2367	0.061	3	108.2367	0.004	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.6900	0.000	1	109.6900	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	107.9998	0.311	4	107.6735	0.186	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(OC)(H){2|C<4>,2|N<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	107.3473	0.228	4	107.6735	0.186	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.4000	0.000	1	108.1995	0.080	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	107.9990	0.000	1	108.1995	0.080	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.2194	0.460	5	108.2194	0.212	5	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[5a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CC[5a]O)	H(C[6]C[6,6]C[6]O)	106.4800	0.273	2	106.4800	0.074	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HO)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	107.0827	0.715	3	107.0827	0.511	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.8326	0.208	5	108.6806	0.188	7	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.3005	0.743	2	108.6806	0.188	7	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[5a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CC[5a]O)	H(C[6]C[6,6]C[6]O)	108.8900	0.000	1	108.8900	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	107.9329	1.019	8	107.9329	1.038	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.5140	0.000	1	108.9235	0.697	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.3330	0.000	1	108.9235	0.697	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.6860	0.051	2	109.6860	0.003	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.2900	0.000	1	109.1450	0.016	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.0725	0.035	2	109.1450	0.016	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	107.6600	0.000	1	107.6600	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.6520	0.000	1	109.3687	0.092	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.2270	0.250	2	109.3687	0.092	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CHO)	H(C[6]C[6,6]C[6]O)	108.6400	0.000	1	108.6400	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.9480	0.000	1	109.9480	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	107.5620	0.000	1	107.5620	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|H<1>,4|C<3>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.7680	0.000	1	109.7680	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	107.2830	0.000	1	107.2830	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.8282	0.365	4	108.9022	0.127	5	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.1980	0.000	1	108.9022	0.127	5	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.1860	0.000	1	109.1860	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.8330	0.000	1	109.9820	0.044	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.1310	0.000	1	109.9820	0.044	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	109.2360	0.000	1	109.2360	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OC)(H){2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.6120	0.000	1	109.6120	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.3260	0.000	1	109.3260	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]CC)(OC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	107.9785	0.432	2	107.9785	0.187	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	107.7470	0.000	1	107.7470	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.4360	0.000	1	112.1287	2.169	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	112.9750	0.199	2	112.1287	2.169	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	109.8090	0.000	1	109.8090	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.2650	0.000	1	108.5593	0.172	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.9570	0.064	2	108.5593	0.172	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.5280	0.000	1	108.5593	0.172	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.4417	0.498	4	108.5593	0.172	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[5,5,6]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[5,5,6]O)	H(C[6]C[6,6]C[6]O)	108.5170	0.000	1	108.5170	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[5]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[5]O)	H(C[6]C[6,6]C[6]O)	108.5130	0.000	1	108.5130	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	107.7940	0.000	1	103.9500	29.553	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	100.1060	0.000	1	103.9500	29.553	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.0270	0.000	1	109.8925	0.036	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.7580	0.000	1	109.8925	0.036	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(OC)(H){1|C<3>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.0310	0.254	3	109.0310	0.065	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OC)(H){2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.5730	0.000	1	108.5730	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.9840	0.000	1	109.5462	0.334	5	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){8|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.6868	0.560	4	109.5462	0.334	5	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	109.1420	0.785	2	109.1420	0.616	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.2850	0.076	2	109.3391	0.362	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.3540	0.000	1	109.3391	0.362	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|O<2>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.3150	0.000	1	109.3391	0.362	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){2|C<3>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.5203	0.285	3	109.3391	0.362	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){3|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.9130	0.000	1	109.3391	0.362	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	108.8960	0.511	2	108.9580	0.142	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	109.0820	0.000	1	108.9580	0.142	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.1545	0.104	2	108.9495	0.672	4	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	107.7860	0.000	1	108.9495	0.672	4	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.7030	0.000	1	108.9495	0.672	4	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.4650	0.000	1	110.1333	0.343	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.5590	0.000	1	110.1333	0.343	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.3760	0.000	1	110.1333	0.343	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.5310	0.000	1	109.5457	0.358	9	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.9630	0.000	1	109.5457	0.358	9	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.4300	0.000	1	109.5457	0.358	9	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.1300	0.233	5	109.5457	0.358	9	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.3370	0.000	1	109.5457	0.358	9	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	109.4660	0.000	1	110.8197	5.097	4	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	110.0760	0.000	1	110.8197	5.097	4	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<1>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	114.1820	0.000	1	110.8197	5.097	4	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|S<2>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	109.5550	0.000	1	110.8197	5.097	4	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.3630	0.102	2	109.4640	0.163	4	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.5650	0.662	2	109.4640	0.163	4	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	110.7130	0.000	1	110.7130	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HO)(OC)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.1455	0.135	2	110.1455	0.018	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OC)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.0820	0.000	1	108.0820	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.6500	0.677	4	109.6500	0.459	4	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HO)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	108.8555	0.064	2	108.8555	0.004	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HO)(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.8450	0.000	1	108.8450	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[5,6]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OC)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[5,6]O)	H(C[6]C[6,6]C[6]O)	109.0750	0.000	1	109.0750	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.2440	0.000	1	110.0580	0.218	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OC)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.9650	0.619	2	110.0580	0.218	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	107.9640	0.000	1	107.9640	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CHO)	H(C[6]C[6,6]C[6]O)	108.2510	0.000	1	108.2510	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.7455	0.371	2	108.7455	0.138	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	109.3520	0.000	1	109.3520	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.5490	0.000	1	110.2455	0.184	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.9420	0.000	1	110.2455	0.184	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.4830	0.000	1	110.2911	0.110	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.6600	0.000	1	110.2911	0.110	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.7490	0.000	1	110.2911	0.110	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.2900	0.000	1	110.2911	0.110	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	110.2867	0.318	4	110.2911	0.110	8	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(COO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(COO)	H(C[6]C[6,6]C[6]O)	110.3950	0.000	1	110.9290	0.293	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(COO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(COO)	H(C[6]C[6,6]C[6]O)	111.1960	0.397	2	110.9290	0.293	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.6910	0.000	1	108.6910	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.8320	0.000	1	109.8320	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.9400	0.342	3	109.9400	0.117	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	109.2640	0.000	1	109.2640	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OC)(H){1|O<1>,1|S<4>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	109.5627	0.137	3	109.5627	0.019	3	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,1|S<4>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.4860	0.000	1	108.4860	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]O)	H(C[6]C[6,6]C[6]O)	109.3280	0.042	2	109.3280	0.002	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCO)	H(C[6]C[6,6]C[6]O)	108.9515	0.524	2	108.9515	0.275	2	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H)	O(C[6]C[6,6]C[6]H)(CNO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CNO)	H(C[6]C[6,6]C[6]O)	107.7420	0.000	1	107.7420	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H)	O(C[6]C[6,6]C[6]H)(CNO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]CC)(OC)(H){2|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CNO)	H(C[6]C[6,6]C[6]O)	108.3470	0.000	1	108.3470	0.000	1	109.0490	1.712	197	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H)	O(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC[6a])(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	H(C[6]C[6,6]C[6]O)	110.2050	0.000	1	110.2050	0.000	1	110.2050	0.000	1	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:B-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H)	O(C[6]C[6]2H)(BC[6a]C)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OB)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(BC[6a]C)	H(C[6]C[6]2O)	109.0670	0.000	1	109.0670	0.000	1	109.0670	0.000	1	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.7620	0.000	1	109.7620	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.3720	0.000	1	109.5332	0.082	4	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5870	0.325	3	109.5332	0.082	4	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	110.1215	0.182	2	110.1215	0.033	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5500	0.000	1	109.5500	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.7575	0.581	2	108.7575	0.337	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CHO)	H(C[6]C[6]2O)	C[6](C[6]C[3]O[6]H)(C[6]O[6]HH)(OC)(H){1|Si<4>,1|C<4>,1|N<2>}	O(C[6]C[6]2H)(CHO)	H(C[6]C[6]2O)	108.8820	0.000	2	108.8820	0.000	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.6150	0.000	1	108.6150	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	108.7490	0.000	1	108.7490	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.1430	0.639	2	109.1430	0.409	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1640	0.089	2	110.1640	0.008	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.3520	0.252	4	110.3520	0.063	4	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,4|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.8110	0.000	1	108.8110	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.0770	1.223	2	108.0770	1.496	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.3330	0.000	1	109.3330	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	107.7990	0.000	1	107.7990	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,4|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.2420	0.000	1	110.2420	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.0350	0.000	1	109.0350	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.5945	0.060	2	108.5945	0.004	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.0770	0.000	1	108.7445	0.891	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OC)(H){1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.4120	0.000	1	108.7445	0.891	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H)	O(C[6]C[6]2H)(CSS)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OC)(H){1|C<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CSS)	H(C[6]C[6]2O)	109.0120	0.000	1	109.0120	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.3410	0.000	1	110.3410	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.0320	0.000	1	108.0320	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.9740	0.000	1	108.9740	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.7930	0.000	1	108.7930	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	106.4135	0.209	2	106.4135	0.044	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.0140	0.000	1	109.0920	0.019	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.0100	0.000	1	109.0920	0.019	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.2520	0.000	1	109.0920	0.019	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.6243	2.566	15	110.6243	6.584	15	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	109.3030	0.000	1	109.3030	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[5a]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[5a]O)	H(C[6]C[6]2O)	108.0685	1.720	2	108.0685	2.960	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	107.9540	0.000	1	107.9540	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.1610	0.000	1	109.1610	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.8300	0.000	1	109.8300	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]2H)(OC)(H){2|C<3>,5|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	107.3460	0.000	1	107.3460	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.4270	0.000	1	110.2494	0.295	8	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1040	0.330	2	110.2494	0.295	8	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.9080	0.000	1	110.2494	0.295	8	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.3630	0.756	4	110.2494	0.295	8	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.9660	0.000	1	109.3587	2.086	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	107.7100	0.000	1	109.3587	2.086	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.4000	0.000	1	109.3587	2.086	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.0430	0.089	2	109.0430	0.008	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.8320	0.198	2	109.8320	0.039	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.3870	0.000	1	109.3870	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]OO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.7680	0.000	1	108.7680	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.4660	0.000	1	110.4660	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.7900	0.000	1	108.7900	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|N<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.2220	0.000	1	110.2220	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.4500	0.000	1	109.4500	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	114.3220	0.000	1	108.7591	0.925	51	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.6310	0.000	1	108.7591	0.925	51	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.7330	0.000	1	108.7591	0.925	51	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.6047	0.515	48	108.7591	0.925	51	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.5284	0.398	14	108.5284	0.158	14	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	108.9220	0.000	1	108.9220	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.0079	0.231	12	109.0808	0.112	14	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5180	0.646	2	109.0808	0.112	14	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1800	0.000	1	108.9754	0.554	5	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.9240	0.000	1	108.9754	0.554	5	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.8135	0.149	2	108.9754	0.554	5	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.1460	0.000	1	108.9754	0.554	5	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	110.2720	0.000	1	109.5305	1.100	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.7890	0.000	1	109.5305	1.100	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]O[6]CC)(OC)(H){3|C<3>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	110.5120	0.000	1	110.5120	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	107.8893	1.083	3	107.8893	1.173	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[3]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[3]O)	H(C[6]C[6]2O)	110.5595	0.511	2	110.5595	0.261	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.0570	0.000	1	109.0570	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.1010	0.000	1	109.1010	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.6390	0.000	1	110.1695	0.441	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OC)(H){5|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.7000	0.000	1	110.1695	0.441	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCH)	H(C[6]C[6]2O)	109.6310	0.000	1	109.6310	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	107.7360	0.000	1	109.5419	0.160	102	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.6130	0.000	1	109.5419	0.160	102	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.6507	0.294	38	109.5419	0.160	102	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.3640	0.555	4	109.5419	0.160	102	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.7290	0.000	1	109.5419	0.160	102	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.6530	0.246	3	109.5419	0.160	102	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.4150	0.357	3	109.5419	0.160	102	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5413	0.313	10	109.5419	0.160	102	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.4976	0.411	41	109.5419	0.160	102	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){5|C<4>}	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	111.0440	0.000	1	111.0440	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	110.0750	1.208	6	109.7504	1.238	16	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.6440	1.093	9	109.7504	1.238	16	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){5|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.7600	0.000	1	109.7504	1.238	16	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CHO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CHO)	H(C[6]C[6]2O)	109.3740	0.000	1	109.3740	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CNO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CNO)	H(C[6]C[6]2O)	109.6607	0.922	6	109.6607	0.850	6	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	109.7920	0.000	1	109.6735	0.028	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	109.5550	0.000	1	109.6735	0.028	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.4506	0.461	11	109.6804	1.390	21	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.2550	0.000	1	109.6804	1.390	21	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.3910	1.067	7	109.6804	1.390	21	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){5|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1695	0.127	2	109.6804	1.390	21	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	106.9520	0.000	1	108.2783	1.436	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.9415	0.483	2	108.2783	1.436	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.0630	0.000	1	109.0630	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.0435	0.066	2	109.0435	0.004	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.8240	0.000	1	110.0350	0.089	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.2460	0.000	1	110.0350	0.089	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.9765	0.083	2	108.9765	0.007	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.0340	0.000	1	109.0340	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OC)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	107.8950	0.000	1	107.8950	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OC)(H){2|C<3>,3|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.9890	0.000	1	109.9890	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H)	O(C[6]C[6]2H)(CNO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]ClH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CNO)	H(C[6]C[6]2O)	110.1305	0.040	2	110.1305	0.002	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.9750	0.000	1	109.3658	0.334	10	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|H<1>,4|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.6330	0.653	4	109.3658	0.334	10	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|O<2>,4|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.8707	0.323	3	109.3658	0.334	10	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.7695	0.146	2	109.3658	0.334	10	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|H<1>,4|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.3290	0.000	1	108.3290	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.7400	0.000	1	110.7992	0.738	5	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.3560	0.464	3	110.7992	0.738	5	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|S<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	112.1880	0.000	1	110.7992	0.738	5	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	109.8110	0.436	2	109.8110	0.190	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.9440	0.491	2	109.9440	0.241	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5070	0.505	3	109.5070	0.255	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	109.2000	0.000	1	109.2000	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0540	0.000	1	110.0540	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.7370	0.000	1	108.7370	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(OC)(H){1|Cl<1>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.2100	0.000	1	108.2100	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	110.0300	0.000	1	110.0300	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.7406	0.551	12	109.7406	0.303	12	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	105.7300	0.000	1	105.7300	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OC)(H){2|C<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5360	0.000	1	109.5360	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]O[6]CC)(OC)(H){2|C<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.2070	0.000	1	108.2070	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0420	0.000	1	110.0420	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.1010	0.000	1	109.1110	0.000	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.1210	0.000	1	109.1110	0.000	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.9087	0.165	7	108.9087	0.027	7	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.3880	0.180	2	109.1464	1.939	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.6330	0.000	1	109.1464	1.939	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.4215	0.333	2	109.1464	1.939	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.1175	1.571	18	109.1464	1.939	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[3]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[3]O)	H(C[6]C[6]2O)	109.1660	0.477	2	109.1660	0.227	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	108.5830	0.000	1	108.5830	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[5,5]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[5,5]O)	H(C[6]C[6]2O)	109.3750	0.000	2	109.3750	0.000	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[5]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[5]O)	H(C[6]C[6]2O)	108.7570	1.539	10	108.7570	2.369	10	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[5a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[5a]O)	H(C[6]C[6]2O)	109.4800	0.000	1	109.4800	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6]Cr)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6]Cr)	H(C[6]C[6]2O)	110.2870	0.000	1	110.2870	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6]O)	H(C[6]C[6]2O)	109.5168	0.224	12	109.5168	0.050	12	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.6263	0.201	3	109.4449	0.175	8	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.4928	0.406	4	109.4449	0.175	8	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.7090	0.000	1	109.4449	0.175	8	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CNO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|Si<4>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CNO)	H(C[6]C[6]2O)	107.1390	0.000	1	108.6829	1.544	7	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CNO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CNO)	H(C[6]C[6]2O)	108.9402	1.139	6	108.6829	1.544	7	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CN[5]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CN[5]O)	H(C[6]C[6]2O)	105.7900	0.000	1	108.7752	4.253	4	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CN[5]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CN[5]O)	H(C[6]C[6]2O)	109.7703	0.662	3	108.7752	4.253	4	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CN[6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CN[6]O)	H(C[6]C[6]2O)	109.1075	0.228	2	109.5573	1.715	7	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CN[6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CN[6]O)	H(C[6]C[6]2O)	109.7372	1.555	5	109.5573	1.715	7	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	109.0226	1.014	14	109.0226	1.029	14	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(COS)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(COS)	H(C[6]C[6]2O)	109.5570	0.000	1	109.5570	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.5730	0.098	2	108.5730	0.010	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5500	0.000	1	109.3285	0.214	4	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.6390	0.000	1	109.3285	0.214	4	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.6410	0.000	1	109.3285	0.214	4	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.4840	0.000	1	109.3285	0.214	4	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	108.1955	0.129	2	108.7133	0.813	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	109.7490	0.000	1	108.7133	0.813	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.7670	0.000	1	108.7670	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.0160	0.000	1	109.0160	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	110.3740	0.000	1	110.3740	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0340	0.000	1	110.0340	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.0280	0.000	1	109.0280	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClC)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	110.3600	0.000	1	110.3600	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.8355	0.599	4	109.5687	0.698	10	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.8083	0.685	3	109.5687	0.698	10	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.3067	0.395	3	109.5687	0.698	10	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H){1|C<4>,2|F<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0590	0.086	2	110.0590	0.007	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.2925	0.527	2	109.2925	0.278	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	111.0940	0.000	1	111.0940	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	110.0680	1.307	2	110.0680	1.708	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.2140	0.000	1	109.2140	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.9490	0.000	1	109.9490	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	O(C[6]C[6]2H)(CC[6a]C)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]C)	H(C[6]C[6]2O)	109.0990	0.000	1	109.0990	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.5092	0.207	4	109.5092	0.043	4	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.8585	0.261	2	109.6034	0.727	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.4040	0.000	1	109.6034	0.727	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.8613	0.723	3	109.6034	0.727	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1925	0.326	4	109.6034	0.727	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.4244	1.116	9	109.6034	0.727	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.8710	0.000	1	109.6034	0.727	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5010	0.000	1	109.6034	0.727	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0700	0.000	1	109.6034	0.727	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.1410	0.000	1	109.6034	0.727	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[3]H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[3]H)	H(C[6]C[6]2O)	109.8720	0.000	1	109.8720	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[5a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[5a]O)	H(C[6]C[6]2O)	109.7200	0.000	1	109.7200	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.6930	0.789	2	109.7476	0.130	9	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.8560	0.129	5	109.7476	0.130	9	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.2200	0.000	1	109.7476	0.130	9	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.8420	0.000	1	109.7476	0.130	9	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CN[6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CN[6]O)	H(C[6]C[6]2O)	109.4330	0.000	1	109.4330	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<3>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5580	0.000	1	109.3657	0.059	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.2695	0.248	2	109.3657	0.059	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H)	O(C[6]C[6]2H)(CC[6a]C)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]C)	H(C[6]C[6]2O)	109.1180	0.303	2	109.1180	0.092	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.9740	0.000	1	109.8825	0.250	4	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.4380	0.000	1	109.8825	0.250	4	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0590	0.694	2	109.8825	0.250	4	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.4930	0.000	1	109.4930	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	104.6370	0.000	1	109.0657	4.120	7	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0140	0.123	2	109.0657	4.120	7	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.9430	0.000	1	109.0657	4.120	7	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|O<2>,1|S<4>,2|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.5880	0.000	1	109.0657	4.120	7	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1320	0.136	2	109.0657	4.120	7	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OC)(H){1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.9650	0.000	1	108.9650	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	105.9520	0.000	1	105.9520	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0048	0.310	10	110.0048	0.096	10	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.3515	0.474	2	109.3515	0.225	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1827	0.307	7	110.0429	0.371	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5844	0.471	7	110.0429	0.371	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,3|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0730	0.000	1	110.0429	0.371	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.3158	0.886	6	110.0429	0.371	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.5670	0.000	1	110.0429	0.371	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0810	0.000	1	110.0429	0.371	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[5,6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	O(C[6]C[6]2H)(CC[5,6]O)	H(C[6]C[6]2O)	110.4940	0.481	2	110.4940	0.231	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[5a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[5a]O)	H(C[6]C[6]2O)	109.5030	0.000	1	109.5030	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6]O)	H(C[6]C[6]2O)	109.8185	0.858	2	110.2043	0.814	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	O(C[6]C[6]2H)(CC[6]O)	H(C[6]C[6]2O)	110.9760	0.000	1	110.2043	0.814	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.8096	0.271	5	109.9639	0.756	20	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	110.5821	0.444	10	109.9639	0.756	20	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.1170	0.013	2	109.9639	0.756	20	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.9430	0.000	1	109.9639	0.756	20	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|S<2>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.2610	0.000	1	109.9639	0.756	20	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.9720	0.000	1	109.9639	0.756	20	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CNO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CNO)	H(C[6]C[6]2O)	109.7883	0.115	4	109.6517	0.168	9	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CNO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CNO)	H(C[6]C[6]2O)	109.5424	0.541	5	109.6517	0.168	9	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(COO)	H(C[6]C[6]2O)	109.0480	0.000	1	109.0480	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.5020	0.000	1	108.5020	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.6420	0.000	1	108.6420	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.6680	0.000	1	109.5668	0.960	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.9380	0.000	1	109.5668	0.960	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.2950	0.499	2	109.5668	0.960	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	107.8310	0.000	1	109.5668	0.960	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.6075	0.946	17	109.5668	0.960	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.6820	0.000	1	109.5668	0.960	23	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	107.0500	0.000	1	107.0500	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.0755	1.125	2	109.0755	1.266	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.4200	0.000	1	110.4200	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.9540	0.000	1	110.0010	0.004	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0480	0.000	1	110.0010	0.004	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.0700	0.000	1	109.0700	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]HP)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.5540	0.000	1	110.5540	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5700	0.000	1	108.8687	0.526	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.5180	0.560	2	108.8687	0.526	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.7430	0.000	1	110.3185	0.662	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OC)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.8940	0.000	1	110.3185	0.662	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|I<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.3400	0.000	1	110.1210	0.457	175	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1080	0.000	1	110.1210	0.457	175	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|F<1>,1|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.4880	0.107	2	110.1210	0.457	175	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|I<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1600	0.000	1	110.1210	0.457	175	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.6570	0.608	6	110.1210	0.457	175	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1392	0.574	11	110.1210	0.457	175	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.9765	0.334	2	110.1210	0.457	175	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1393	0.698	145	110.1210	0.457	175	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|P<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.3290	0.000	1	110.1210	0.457	175	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.6085	0.254	4	110.1210	0.457	175	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1940	0.000	1	110.1210	0.457	175	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	110.0904	0.687	7	110.0685	0.329	10	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	110.2640	0.000	1	110.0685	0.329	10	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.8940	0.165	2	110.0685	0.329	10	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.9965	0.320	2	109.9965	0.103	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1360	0.000	1	110.1360	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.8155	0.613	4	109.8155	0.375	4	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.8460	0.000	1	110.1765	1.014	17	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.2109	1.071	15	110.1765	1.014	17	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.9920	0.000	1	110.1765	1.014	17	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HI)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.5700	0.000	2	108.5700	0.000	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.3476	0.679	31	110.3476	0.461	31	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.9790	0.846	64	109.9229	0.720	71	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.3723	0.923	4	109.9229	0.720	71	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.4610	0.591	3	109.9229	0.720	71	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[5]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[5]O)	H(C[6]C[6]2O)	109.8230	0.000	1	109.8230	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	108.4320	0.000	1	109.8561	0.931	11	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	110.0850	0.895	9	109.8561	0.931	11	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|O<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.2200	0.000	1	109.8561	0.931	11	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.3304	0.620	24	110.3304	0.384	24	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.9740	0.000	1	109.9740	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.8840	0.000	1	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|I<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.6840	0.000	2	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0200	0.191	2	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.2720	1.520	2	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5470	0.000	1	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0727	0.348	4	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.9980	0.000	1	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.5590	0.000	1	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.6412	0.741	13	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.7334	0.965	25	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.7460	0.000	1	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.7450	0.000	1	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0730	0.922	21	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1240	1.055	2	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.7840	0.262	2	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.7470	0.826	67	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,3|F<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.8020	0.000	1	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0080	0.000	1	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|Ir<6>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	107.6680	1.778	2	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.9320	0.000	1	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.8415	0.682	6	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	111.0990	0.000	1	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.2977	0.962	6	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	111.0140	0.000	1	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|Pd<4>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.2665	0.665	2	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1830	0.764	5	109.7980	0.763	172	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[5,5,6]O)	H(C[6]C[6]2O)	109.4440	0.000	1	109.4440	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[5]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[5]O)	H(C[6]C[6]2O)	110.3510	0.000	1	110.3510	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[5a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CC[5a]O)	H(C[6]C[6]2O)	110.0760	0.000	1	110.0760	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	110.0780	0.362	2	109.7245	0.425	25	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.7141	0.676	22	109.7245	0.425	25	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|Se<2>,1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.2460	0.000	1	109.7245	0.425	25	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.3850	0.430	2	108.3850	0.185	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HS)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.7940	0.042	2	108.7940	0.002	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.0235	0.313	2	110.0235	0.098	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.7960	0.000	1	109.6290	0.452	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5455	0.928	2	109.6290	0.452	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.9350	0.000	1	108.9350	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.6010	0.147	3	109.6010	0.022	3	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[5]O)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(CC[5]O)	H(C[6]C[6]2O)	112.4010	0.000	1	112.4010	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[5a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(CC[5a]O)	H(C[6]C[6]2O)	109.5935	0.134	2	109.5935	0.018	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CClC)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(CClC)	H(C[6]C[6]2O)	109.0850	0.000	1	109.0850	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.5300	0.000	1	109.5300	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.3065	1.433	2	110.3065	2.054	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.1329	0.582	9	110.1329	0.339	9	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.4078	0.188	5	110.1853	0.176	7	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	109.6290	0.226	2	110.1853	0.176	7	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	108.4530	0.000	1	108.4530	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.7940	0.000	1	109.7940	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(OC)(H){1|C<3>,1|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	116.6960	0.000	1	116.6960	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]O[6]HH)2(OC)(H){1|C<4>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.5060	0.000	1	109.5060	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]IrH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]O[6]IrH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.5705	1.264	2	110.5705	1.597	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]PdH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	C[6](C[6]O[6]PdH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCO)	H(C[6]C[6]2O)	110.7520	0.228	2	110.7520	0.052	2	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]O[6]SeH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2O)	109.4310	0.000	1	109.4310	0.000	1	109.6784	0.964	1291	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6])(H)	O(C[6]C[6]2H)(C[6]C[6]2)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6])(H){1|N<3>,4|C<4>}	O(C[6]C[6]2H)(C[6]C[6]2)	H(C[6]C[6]2O)	111.1059	0.880	8	111.1059	0.774	8	111.1059	0.774	8	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-3:	C[6]-4:	C[6](C[6]O[6]CH)2(OSi)(H)	O(C[6]C[6]2H)(SiCC)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)2(OSi)(H){1|C<3>}	O(C[6]C[6]2H)(SiCC)	H(C[6]C[6]2O)	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP2	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H)	O(C[6]C[6]P[6]H)(CCO)	H(C[6]C[6]P[6]O)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]P[6]H)(CCO)	H(C[6]C[6]P[6]O)	109.3570	0.000	1	109.3570	0.000	1	109.3570	0.000	1	109.5439	1.197	1675	109.5415	1.326	2061	109.5523	1.298	2183
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	110.3640	0.157	2	109.5470	2.015	3	109.5470	2.015	3	109.5470	2.015	3	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(OH)(H){1|Cl<1>,1|H<1>,5|C<4>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	107.9130	0.000	1	109.5470	2.015	3	109.5470	2.015	3	109.5470	2.015	3	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(OC)(H)	O(C[6,6]C[3x6]O[6,6]H)(CH3)	H(C[6,6]C[3x6]O[6,6]O)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(OC)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]O[6,6]H)(CH3)	H(C[6,6]C[3x6]O[6,6]O)	108.4480	0.000	1	108.4480	0.000	1	109.0030	0.616	2	109.1164	0.587	5	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6,6]-2:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(OC)(H)	O(C[6,6]C[3x6]O[6,6]H)(CH3)	H(C[6,6]C[3x6]O[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(OC)(H){1|S<4>,2|C<4>,2|H<1>}	O(C[6,6]C[3x6]O[6,6]H)(CH3)	H(C[6,6]C[3x6]O[6,6]O)	109.5580	0.000	1	109.5580	0.000	1	109.0030	0.616	2	109.1164	0.587	5	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:2:2:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H)	O(C[6,6]C[4x6]O[6,6]H)(CH3)	H(C[6,6]C[4x6]O[6,6]O)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6,6]C[4x6]O[6,6]H)(CH3)	H(C[6,6]C[4x6]O[6,6]O)	109.0760	0.000	1	108.7065	0.273	2	108.7065	0.273	2	109.1164	0.587	5	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:2:2:1:	4:4:	4:	C[4x6]-4:O[6,6]-2:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H)	O(C[6,6]C[4x6]O[6,6]H)(CH3)	H(C[6,6]C[4x6]O[6,6]O)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(OC)(H){1|O<2>,4|H<1>,5|C<4>}	O(C[6,6]C[4x6]O[6,6]H)(CH3)	H(C[6,6]C[4x6]O[6,6]O)	108.3370	0.000	1	108.7065	0.273	2	108.7065	0.273	2	109.1164	0.587	5	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:2:2:1:	4:4:	4:	C[5,3x6]-4:O[6,6]-2:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H)	O(C[6,6]C[5,3x6]O[6,6]H)(CCHH)	H(C[6,6]C[5,3x6]O[6,6]O)	C[6,6](C[5,3x6]C[5,6,6]2H)(O[6,6]C[3x6])(OC)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	O(C[6,6]C[5,3x6]O[6,6]H)(CCHH)	H(C[6,6]C[5,3x6]O[6,6]O)	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	109.1164	0.587	5	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:3:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	110.4380	0.000	1	110.4380	0.000	1	108.3666	1.681	7	108.6239	1.203	18	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:3:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(OH)(H){2|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	108.0213	1.008	6	108.0213	1.016	6	108.3666	1.681	7	108.6239	1.203	18	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:3:2:1:	4:1:	4:	C[4,6,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(OH)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(OH)(H){2|H<1>,4|C<4>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	108.4187	0.083	3	108.4187	0.007	3	108.4187	0.007	3	108.6239	1.203	18	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:3:2:1:	4:1:	4:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H)	O(C[6,6]C[4x6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	O(C[6,6]C[4x6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]O)	109.1330	0.000	1	108.2570	1.535	2	108.2570	1.535	2	108.6239	1.203	18	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:3:2:1:	4:1:	4:	C[4x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H)	O(C[6,6]C[4x6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(OH)(H){4|C<4>,6|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]O)	107.3810	0.000	1	108.2570	1.535	2	108.2570	1.535	2	108.6239	1.203	18	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:3:2:1:	4:1:	4:	C[5,3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H)	O(C[6,6]C[5,3x6]C[6,6]H)(H)	H(C[6,6]C[5,3x6]C[6,6]O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]C)(OH)(H){2|C<3>,3|H<1>,4|C<4>}	O(C[6,6]C[5,3x6]C[6,6]H)(H)	H(C[6,6]C[5,3x6]C[6,6]O)	108.1330	1.503	2	108.1330	2.260	2	108.1330	2.260	2	108.6239	1.203	18	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:3:2:1:	4:1:	4:	C[5,5x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H)	O(C[6,6]C[5,5x6]C[6,6]H)(H)	H(C[6,6]C[5,5x6]C[6,6]O)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H){5|C<4>,5|H<1>}	O(C[6,6]C[5,5x6]C[6,6]H)(H)	H(C[6,6]C[5,5x6]C[6,6]O)	109.9100	0.000	2	109.9100	0.000	2	109.9100	0.000	2	108.6239	1.203	18	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:3:2:1:	4:1:	4:	C[5,6,6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[3,6,6]O)(OH)(H)	O(C[6,6]C[5,6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[6,6]O)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[3,6,6]O)(OH)(H){1|O<1>,2|C<3>,3|C<4>}	O(C[6,6]C[5,6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[6,6]O)	109.9930	0.000	1	109.9930	0.000	1	109.9930	0.000	1	108.6239	1.203	18	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:3:2:1:	4:1:	4:	C[6x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H)	O(C[6,6]C[6,6]C[6x6]H)(H)	H(C[6,6]C[6,6]C[6x6]O)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]C)(OH)(H){1|C<3>,4|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6x6]H)(H)	H(C[6,6]C[6,6]C[6x6]O)	108.8150	0.000	1	108.8150	0.000	1	108.8150	0.000	1	108.6239	1.203	18	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:3:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-3:O-2:H-1:	C[6,6]-4:Si-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OSi)(H)	O(C[6,6]C[3x6]C[6,6]H)(SiC3)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(OSi)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(SiC3)	H(C[6,6]C[3x6]C[6,6]O)	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3,3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	109.0210	0.000	1	109.0210	0.000	1	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	109.5600	0.000	1	109.5600	0.000	1	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,6|C<4>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	107.6360	0.000	1	107.6360	0.000	1	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]N[6,6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	108.5840	0.464	2	108.5840	0.215	2	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	110.0870	0.000	1	110.0870	0.000	1	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|H<1>,7|C<4>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	108.0890	0.000	1	108.0890	0.000	1	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	106.8727	0.545	3	107.4203	0.792	9	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,6|C<4>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	106.9277	0.567	3	107.4203	0.792	9	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,3x6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(OH)(H){8|C<4>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	108.4607	0.334	3	107.4203	0.792	9	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2C)2(OH)(H){1|C<4>,1|N<3>,2|O<2>,6|H<1>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	106.8407	1.674	6	106.8407	2.803	6	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(OH)(H){2|C<4>,8|H<1>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	108.9590	0.000	1	108.9590	0.000	1	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	108.5645	0.069	2	108.5645	0.005	2	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	109.0450	0.000	1	109.0450	0.000	1	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[4x6]C[6]H)(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[4x6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	108.7710	0.000	1	108.7710	0.000	1	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|C<4>,1|P<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	108.7617	3.117	3	108.9723	2.406	47	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|H<1>,2|O<2>,3|C<4>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	108.7700	0.000	1	108.9723	2.406	47	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){1|N<3>,1|N<4>,2|C<4>,2|H<1>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	108.5090	0.000	1	108.9723	2.406	47	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|N<3>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	107.9540	0.000	1	108.9723	2.406	47	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H)	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(H)	H(C[6,6]C[3x6]2O)	109.0288	1.497	41	108.9723	2.406	47	108.5810	2.379	74	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[5,6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]N[5]H)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[3,6,6]N[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	110.1820	0.000	1	110.1820	0.000	1	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	108.1280	1.949	2	108.1280	3.798	2	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	108.1795	0.649	4	108.1795	0.421	4	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	108.7270	0.000	1	108.8603	0.008	4	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	108.9047	0.005	3	108.8603	0.008	4	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(OH)(H){2|C<3>,3|C<4>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	108.5710	0.000	1	108.5710	0.000	1	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(OH)(H){1|H<1>,4|C<3>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	108.6760	0.000	1	108.6760	0.000	1	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	109.1060	1.020	2	109.1060	1.040	2	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	109.2935	0.091	2	109.2935	0.008	2	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]OO)(OH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	107.6385	0.470	2	107.6385	0.221	2	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	109.5560	0.110	2	108.9295	0.429	51	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	108.8504	0.652	45	108.9295	0.429	51	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){3|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	109.5065	0.317	4	108.9295	0.429	51	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	108.1477	0.914	6	108.2881	0.834	7	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	109.1310	0.000	1	108.2881	0.834	7	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(OH)(H){1|N<3>,1|O<1>,2|C<4>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	107.4850	0.000	1	107.4850	0.000	1	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	108.6280	0.219	2	108.6280	0.048	2	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	109.7840	0.020	2	109.7840	0.000	2	108.8006	0.581	82	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	109.3180	0.000	1	108.6355	0.932	2	108.6355	0.932	2	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[4,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	107.9530	0.000	1	108.6355	0.932	2	108.6355	0.932	2	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H)	O(C[6,6]C[3x6]C[4x6]H)(H)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[4x6]H)(H)	H(C[6,6]C[3x6]C[4x6]O)	108.8840	0.000	1	108.2670	0.761	2	108.2158	0.741	5	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H)	O(C[6,6]C[3x6]C[4x6]H)(H)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[3x6]C[3x6]C[6,6]H)(OH)(H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	O(C[6,6]C[3x6]C[4x6]H)(H)	H(C[6,6]C[3x6]C[4x6]O)	107.6500	0.000	1	108.2670	0.761	2	108.2158	0.741	5	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H)	O(C[6,6]C[3x6]C[4x6]H)(H)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[4x6]C[5,4x6]O[6,6]O[6])(C[3x6]C[4x6]C[6]H)(OH)(H){2|C<3>,7|C<4>}	O(C[6,6]C[3x6]C[4x6]H)(H)	H(C[6,6]C[3x6]C[4x6]O)	107.8235	1.193	2	107.8235	1.423	2	108.2158	0.741	5	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H)	O(C[6,6]C[3x6]C[4x6]H)(H)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[4x6]C[5,5x6]O[3x6]O)(C[3x6]C[5x6]C[6]H)(OH)(H){1|C<3>,7|C<4>}	O(C[6,6]C[3x6]C[4x6]H)(H)	H(C[6,6]C[3x6]C[4x6]O)	108.8980	0.000	1	108.8980	0.000	1	108.2158	0.741	5	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[4x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OH)(H)	O(C[6,6]C[4x6]2H)(H)	H(C[6,6]C[4x6]2O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OH)(H){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	O(C[6,6]C[4x6]2H)(H)	H(C[6,6]C[4x6]2O)	107.8730	0.000	1	107.8730	0.000	1	107.8730	0.000	1	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	O(C[6,6]C[4x6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]O)	109.7440	0.000	1	109.4077	0.172	3	107.6482	3.802	6	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	O(C[6,6]C[4x6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]O)	109.5350	0.000	1	109.4077	0.172	3	107.6482	3.802	6	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H)	O(C[6,6]C[4x6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]O)	108.9440	0.000	1	109.4077	0.172	3	107.6482	3.802	6	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H)	O(C[6,6]C[4x6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H){1|O<2>,4|C<4>,5|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]O)	106.0090	0.068	2	105.8887	0.046	3	107.6482	3.802	6	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H)	O(C[6,6]C[4x6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]OO)(OH)(H){2|O<2>,4|C<4>,4|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(H)	H(C[6,6]C[4x6]C[6,6]O)	105.6480	0.000	1	105.8887	0.046	3	107.6482	3.802	6	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[5,3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H)	O(C[6,6]C[5,3x6]C[3x6]H)(H)	H(C[6,6]C[5,3x6]C[3x6]O)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]H)(C[3x6]C[6,6]2H)(OH)(H){1|C<3>,2|H<1>,6|C<4>}	O(C[6,6]C[5,3x6]C[3x6]H)(H)	H(C[6,6]C[5,3x6]C[3x6]O)	108.0820	0.000	2	108.0820	0.000	2	108.0820	0.000	2	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[5,3x6]-4:C[5,6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H)	O(C[6,6]C[5,3x6]C[5,6,6]H)(H)	H(C[6,6]C[5,3x6]C[5,6,6]O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]O[5]O)(OH)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	O(C[6,6]C[5,3x6]C[5,6,6]H)(H)	H(C[6,6]C[5,3x6]C[5,6,6]O)	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[5,5x6]-4:C[5,6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H)	O(C[6,6]C[5,5x6]C[5,6,6]H)(H)	H(C[6,6]C[5,5x6]C[5,6,6]O)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[5,6,6]C[5,6,6]N[5,6]H)(OH)(H){1|C<3>,5|H<1>,6|C<4>}	O(C[6,6]C[5,5x6]C[5,6,6]H)(H)	H(C[6,6]C[5,5x6]C[5,6,6]O)	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[3x6]C[6,6]H)(OH)(H){4|C<4>,4|H<1>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	110.0550	0.000	1	110.0550	0.000	1	109.7959	0.673	8	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	C[6,6](C[5,6,6]C[5,4x6]C[5,6]H)(C[3x6]C[6,6]2H)(OH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	108.7670	0.000	1	108.7670	0.000	1	109.7959	0.673	8	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]2C)(OH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	109.5647	0.246	3	109.5647	0.061	3	109.7959	0.673	8	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]C)(OH)(H){1|O<2>,1|S<2>,2|H<1>,4|C<4>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	111.5070	0.000	1	111.5070	0.000	1	109.7959	0.673	8	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]H)(C[3x6]C[6,6]O[6,6]H)(OH)(H){2|H<1>,2|O<2>,4|C<4>}	O(C[6,6]C[5,6,6]C[3x6]H)(H)	H(C[6,6]C[5,6,6]C[3x6]O)	109.6720	0.590	2	109.6720	0.348	2	109.7959	0.673	8	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H)	O(C[6,6]C[5,6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[6,6]O)	C[6,6](C[5,6,6]C[4,5,6,6]O[5]C)(C[6,6]C[4,6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6,6]C[5,6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[6,6]O)	108.6200	0.000	1	108.6200	0.000	1	108.6931	3.419	9	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H)	O(C[6,6]C[5,6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[6,6]O)	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6,6]C[5,6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[6,6]O)	105.5680	0.293	2	105.5680	0.086	2	108.6931	3.419	9	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H)	O(C[6,6]C[5,6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[6,6]O)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[5,6]C[6]C)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	O(C[6,6]C[5,6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[6,6]O)	109.2180	0.000	1	109.2180	0.000	1	108.6931	3.419	9	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H)	O(C[6,6]C[5,6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[6,6]O)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6]C[6]S[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[5,6,6]C[6,6]H)(H)	H(C[6,6]C[5,6,6]C[6,6]O)	109.8528	0.426	5	109.8528	0.181	5	108.6931	3.419	9	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(OH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	108.7800	0.000	1	108.7800	0.000	1	108.4660	0.197	2	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H)	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[6,6]C[5,3x6]HO)(C[3x6]C[6,6]2C)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(H)	H(C[6,6]C[3x6]C[6,6]O)	108.1520	0.000	1	108.1520	0.000	1	108.4660	0.197	2	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[6,6]C[6,6]N[5]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	107.5030	0.000	1	107.5030	0.000	1	107.5873	0.008	3	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){4|H<1>,5|C<4>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	107.6840	0.000	1	107.6295	0.006	2	107.5873	0.008	3	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	O(C[6,6]C[4,6,6]C[6,6]H)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){5|C<4>,5|H<1>}	O(C[6,6]C[4,6,6]C[6,6]H)(H)	H(C[6,6]C[4,6,6]C[6,6]O)	107.5750	0.000	1	107.6295	0.006	2	107.5873	0.008	3	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[3,6]C[6]O)(C[6,6]C[6]2Br)(OH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	107.3160	0.000	1	107.3160	0.000	1	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[5,6]C[6]O)(C[6,6]C[6]2H)(OH)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	107.6540	0.000	1	107.6540	0.000	1	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	109.9550	0.000	1	109.9550	0.000	1	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	108.5680	1.141	2	108.5680	1.302	2	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6,6a]C[6]N)(C[6,6]C[6]2H)(OH)(H){3|C<3>,5|H<1>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	108.4420	0.000	1	108.4420	0.000	1	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	108.5023	0.414	3	109.1455	1.913	10	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	107.5570	0.000	1	109.1455	1.913	10	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	108.4090	0.000	1	109.1455	1.913	10	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){2|C<3>,2|N<3>,6|H<1>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	109.9763	2.046	3	109.1455	1.913	10	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){2|C<3>,2|N<4>,6|H<1>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	110.5630	0.000	1	109.1455	1.913	10	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)2(OH)(H){2|N<3>,8|H<1>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	109.4900	0.000	1	109.1455	1.913	10	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2H)2(OH)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	108.6890	0.000	1	109.1645	0.452	2	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2H)2(OH)(H){1|N<3>,1|S<4>,8|H<1>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	109.6400	0.000	1	109.1645	0.452	2	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]O[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	107.4620	0.000	1	107.4620	0.000	1	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)2(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]O[6]H)2(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	109.1130	0.924	3	109.1130	0.853	3	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(OH)(H)	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(OH)(H){6|C<3>}	O(C[6,6]C[6,6]2H)(H)	H(C[6,6]C[6,6]2O)	109.8230	0.000	1	109.8230	0.000	1	108.9092	1.367	23	108.6943	1.521	220	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:2:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H)	O(C[6,6]C[3x6]C[6,6]H)(OH)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(OO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6,6]C[3x6]C[6,6]H)(OH)	H(C[6,6]C[3x6]C[6,6]O)	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	109.5050	1.164	2	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:2:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H)	O(C[6,6]C[6,6]2H)(OC[6,6])	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(OO)(H){2|C<4>,2|H<1>}	O(C[6,6]C[6,6]2H)(OC[6,6])	H(C[6,6]C[6,6]2O)	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	109.5050	1.164	2	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H)	O(C[6,6]C[3x6]2H)(CH3)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	O(C[6,6]C[3x6]2H)(CH3)	H(C[6,6]C[3x6]2O)	109.6180	0.136	2	109.6180	0.018	2	108.9574	0.395	11	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H)	O(C[6,6]C[3x6]2H)(CH3)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[3x6]C[5,4x6]C[6]H)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,3|O<2>}	O(C[6,6]C[3x6]2H)(CH3)	H(C[6,6]C[3x6]2O)	107.7400	0.000	1	107.7400	0.000	1	108.9574	0.395	11	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	O(C[6,6]C[3x6]2H)(CC[6a]HH)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){1|H<1>,2|O<2>,3|C<4>}	O(C[6,6]C[3x6]2H)(CC[6a]HH)	H(C[6,6]C[3x6]2O)	108.2550	0.000	1	109.0272	0.277	6	108.9574	0.395	11	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	O(C[6,6]C[3x6]2H)(CC[6a]HH)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(CC[6a]HH)	H(C[6,6]C[3x6]2O)	109.1816	0.409	5	109.0272	0.277	6	108.9574	0.395	11	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H)	O(C[6,6]C[3x6]2H)(CH3)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(CH3)	H(C[6,6]C[3x6]2O)	108.6960	0.158	2	108.6960	0.025	2	108.9574	0.395	11	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C[5]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OC[5])(H)	O(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OC[5])(H){2|C<4>,8|H<1>}	O(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)	H(C[6,6]C[3x6]2O)	109.5850	0.000	1	109.5850	0.000	1	109.5850	0.000	1	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OS)(H)	O(C[6,6]C[3x6]2H)(SCOO)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OS)(H){2|C<4>,8|H<1>}	O(C[6,6]C[3x6]2H)(SCOO)	H(C[6,6]C[3x6]2O)	106.5460	0.000	1	106.5460	0.000	1	109.3526	1.071	15	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(OS)(H)	O(C[6,6]C[3x6]2H)(SC[6a]OO)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]2H)2(OS)(H){2|C<4>,8|H<1>}	O(C[6,6]C[3x6]2H)(SC[6a]OO)	H(C[6,6]C[3x6]2O)	108.5890	1.611	2	108.5890	2.595	2	109.3526	1.071	15	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	O(C[6,6]C[3x6]2H)(SCOO)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(SCOO)	H(C[6,6]C[3x6]2O)	109.5877	0.456	7	109.5877	0.208	7	109.3526	1.071	15	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H)	O(C[6,6]C[3x6]2H)(SC[6a]OO)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(OS)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(SC[6a]OO)	H(C[6,6]C[3x6]2O)	109.8902	0.263	5	109.8902	0.069	5	109.3526	1.071	15	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:Si-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OSi)(H)	O(C[6,6]C[3x6]2H)(SiC3)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[3x6]O[6,6]H)2(OSi)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[3x6]2H)(SiC3)	H(C[6,6]C[3x6]2O)	109.8580	0.000	1	109.8580	0.000	1	109.4722	0.085	6	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:Si-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H)	O(C[6,6]C[3x6]2H)(SiC3)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]2H)(SiC3)	H(C[6,6]C[3x6]2O)	109.8150	0.000	1	109.8150	0.000	1	109.4722	0.085	6	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:Si-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H)	O(C[6,6]C[3x6]2H)(SiC3)	H(C[6,6]C[3x6]2O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(OSi)(H){2|C<4>,4|H<1>}	O(C[6,6]C[3x6]2H)(SiC3)	H(C[6,6]C[3x6]2O)	109.2900	0.090	4	109.2900	0.008	4	109.4722	0.085	6	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[4x6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H)	O(C[6,6]C[3x6]C[4x6]H)(CH3)	H(C[6,6]C[3x6]C[4x6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[4x6]C[5x6]C[6,6]H)(OC)(H){1|H<1>,2|C<3>,6|C<4>}	O(C[6,6]C[3x6]C[4x6]H)(CH3)	H(C[6,6]C[3x6]C[4x6]O)	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H)	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<2>,3|C<3>}	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	H(C[6,6]C[3x6]C[6,6]O)	110.0880	0.000	1	110.0880	0.000	1	109.5098	0.195	5	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H)	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6,6]C[3x6]C[6,6]H)(CCHH)	H(C[6,6]C[3x6]C[6,6]O)	109.1315	0.110	2	109.1315	0.012	2	109.5098	0.195	5	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(OC)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	H(C[6,6]C[3x6]C[6,6]O)	109.8570	0.000	1	109.8570	0.000	1	109.5098	0.195	5	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H)	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HS)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)	H(C[6,6]C[3x6]C[6,6]O)	109.3410	0.000	1	109.3410	0.000	1	109.5098	0.195	5	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[5]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(OC[5])(H)	O(C[6,6]C[3x6]C[6,6]H)(C[5]C[5,5]C[5]H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(OC[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(C[5]C[5,5]C[5]H)	H(C[6,6]C[3x6]C[6,6]O)	110.2410	0.000	1	110.2410	0.000	1	110.2410	0.000	1	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H)	O(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)	H(C[6,6]C[3x6]C[6,6]O)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(OC[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)	H(C[6,6]C[3x6]C[6,6]O)	109.3730	0.000	1	109.3730	0.000	1	109.3730	0.000	1	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[4x6]-4:C[4x6]-4:O-2:H-1:	C[6,6]-4:Si-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OSi)(H)	O(C[6,6]C[4x6]2H)(SiC3)	H(C[6,6]C[4x6]2O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[4x6]C[6,6]C[6x6]H)(OSi)(H){1|C<2>,1|C<3>,1|O<2>,5|C<4>,5|H<1>}	O(C[6,6]C[4x6]2H)(SiC3)	H(C[6,6]C[4x6]2O)	108.9290	0.000	1	108.9290	0.000	1	108.9290	0.000	1	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OC)(H)	O(C[6,6]C[4x6]C[6,6]H)(CCHH)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(OC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6,6]C[4x6]C[6,6]H)(CCHH)	H(C[6,6]C[4x6]C[6,6]O)	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[4x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H)	O(C[6,6]C[4x6]C[6,6]H)(SCOO)	H(C[6,6]C[4x6]C[6,6]O)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(OS)(H){1|O<1>,2|H<1>,3|C<4>}	O(C[6,6]C[4x6]C[6,6]H)(SCOO)	H(C[6,6]C[4x6]C[6,6]O)	110.1400	0.000	1	110.1400	0.000	1	110.1400	0.000	1	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H)	O(C[6,6]C[5,3x6]C[6,6]H)(SC[6a]OO)	H(C[6,6]C[5,3x6]C[6,6]O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(OS)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6,6]C[5,3x6]C[6,6]H)(SC[6a]OO)	H(C[6,6]C[5,3x6]C[6,6]O)	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[3x6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H)	O(C[6,6]C[5,6,6]C[3x6]H)(CH3)	H(C[6,6]C[5,6,6]C[3x6]O)	C[6,6](C[5,6,6]C[5,5,3x6]O[5]O)(C[3x6]C[6,6]2H)(OC)(H){4|C<4>,4|H<1>}	O(C[6,6]C[5,6,6]C[3x6]H)(CH3)	H(C[6,6]C[5,6,6]C[3x6]O)	108.9200	0.000	1	108.9200	0.000	1	108.9200	0.000	1	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)2(OC)(H)	O(C[6,6]C[6,6]2H)(CC[6a]HH)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]O[6]H)2(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6,6]C[6,6]2H)(CC[6a]HH)	H(C[6,6]C[6,6]2O)	110.1030	0.605	2	110.1030	0.366	2	110.1030	0.366	2	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6,6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:Si-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OSi)(H)	O(C[6,6]C[6,6]2H)(SiC3)	H(C[6,6]C[6,6]2O)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(OSi)(H){1|C<2>,2|C<4>,7|H<1>}	O(C[6,6]C[6,6]2H)(SiC3)	H(C[6,6]C[6,6]2O)	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	109.3367	0.544	49	108.8237	1.385	298	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	2:2:2:1:	4:4:	4:	O[6]-2:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[6])2(OC)(H)	O(C[6]O[6]2H)(CCHH)	H(C[6]O[6]2O)	C[6](O[6]C[6])2(OC)(H){1|C<4>,4|H<1>}	O(C[6]O[6]2H)(CCHH)	H(C[6]O[6]2O)	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	109.9610	0.000	1	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	2:3:2:1:	4:4:	4:	O[6]-2:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[5,6])(C[6]N[6]C)(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]2H)	H(C[6]C[6]O[6]O)	C[6](O[6]C[5,6])(C[6]N[6]C)(OC)(H){1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CC[6a]2H)	H(C[6]C[6]O[6]O)	108.1760	0.000	1	108.1760	0.000	1	109.1476	0.949	5	109.1476	0.949	5	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	2:3:2:1:	4:4:	4:	O[6]-2:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.9660	0.000	1	109.3905	0.872	4	109.1476	0.949	5	109.1476	0.949	5	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	2:3:2:1:	4:4:	4:	O[6]-2:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(H){1|O<2>,2|C<3>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.5320	1.090	3	109.3905	0.872	4	109.1476	0.949	5	109.1476	0.949	5	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	2:4:2:1:	4:1:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OH)(H){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	108.1377	0.108	3	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	2:4:2:1:	4:1:	4:	S[6]-2:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]S[6]H)(H)	H(C[6]C[6]S[6]O)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6]S[6]H)(H)	H(C[6]C[6]S[6]O)	108.2050	0.436	2	108.2050	0.190	2	108.2050	0.190	2	108.1377	0.108	3	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	2:4:2:1:	4:4:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	109.1110	0.000	1	109.7435	0.800	2	110.1010	2.269	11	110.1010	2.269	11	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	2:4:2:1:	4:4:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(OC)(H){1|N<3>,3|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	110.3760	0.000	1	109.7435	0.800	2	110.1010	2.269	11	110.1010	2.269	11	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	2:4:2:1:	4:4:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(OC)(H){1|O<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.5863	0.062	3	109.5863	0.004	3	110.1010	2.269	11	110.1010	2.269	11	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	2:4:2:1:	4:4:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	107.9625	0.009	2	107.9625	0.000	2	110.1010	2.269	11	110.1010	2.269	11	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	2:4:2:1:	4:4:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	111.6633	0.686	3	111.6633	0.471	3	110.1010	2.269	11	110.1010	2.269	11	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	2:4:2:1:	4:4:	4:	O[6]-2:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(OC)(H){1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	111.9500	0.000	1	111.9500	0.000	1	110.1010	2.269	11	110.1010	2.269	11	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:1:	4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H)	O(C[6]C[6,6]O[6]H)(H)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[6,6]O[6]H)(H)	H(C[6]C[6,6]O[6]O)	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	104.3934	115.686	6	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:1:	4:	C[6,6a]-3:N[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H)	O(C[6]C[6,6a]N[6]H)(H)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6,6a]N[6]H)(H)	H(C[6]C[6,6a]N[6]O)	82.4547	0.000	1	82.4547	0.000	1	82.4547	0.000	1	104.3934	115.686	6	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:1:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H)	O(C[6]C[6,6a]O[6]H)(H)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H){1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]O[6]H)(H)	H(C[6]C[6,6a]O[6]O)	108.5465	0.186	2	108.5465	0.035	2	108.6000	0.067	4	104.3934	115.686	6	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:1:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H)	O(C[6]C[6,6a]O[6]H)(H)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]O[6]H)(H)	H(C[6]C[6,6a]O[6]O)	108.3750	0.000	1	108.3750	0.000	1	108.6000	0.067	4	104.3934	115.686	6	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:1:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H)	O(C[6]C[6,6a]O[6]H)(H)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H){1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]O[6]H)(H)	H(C[6]C[6,6a]O[6]O)	108.9320	0.000	1	108.9320	0.000	1	108.6000	0.067	4	104.3934	115.686	6	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:2:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H)	O(C[6]C[6,6a]O[6]H)(OC[6])	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]O[6]H)(OC[6])	H(C[6]C[6,6a]O[6]O)	109.2957	0.698	3	109.2957	0.487	3	109.2957	0.487	3	109.2957	0.487	3	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[5,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H)	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	109.9330	0.000	2	109.8143	0.042	3	109.8143	0.042	3	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[5,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H)	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	109.5770	0.000	1	109.8143	0.042	3	109.8143	0.042	3	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[5a,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6])(OC)(H)	O(C[6]C[5a,6]O[6]H)(CH3)	H(C[6]C[5a,6]O[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6])(OC)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(C[6]C[5a,6]O[6]H)(CH3)	H(C[6]C[5a,6]O[6]O)	109.2170	0.000	1	109.2170	0.000	1	109.4285	0.089	2	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[5a,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(OC)(H)	O(C[6]C[5a,6]O[6]H)(CCCH)	H(C[6]C[5a,6]O[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[5a,6]O[6]H)(CCCH)	H(C[6]C[5a,6]O[6]O)	109.6400	0.000	1	109.6400	0.000	1	109.4285	0.089	2	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H)	O(C[6]C[6,6]O[6]H)(CH3)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]O[6]H)(CH3)	H(C[6]C[6,6]O[6]O)	108.8780	0.000	1	108.8780	0.000	1	108.9253	0.540	3	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H)	O(C[6]C[6,6]O[6]H)(CCHH)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)(H){1|C<4>,1|O<2>,4|C<3>}	O(C[6]C[6,6]O[6]H)(CCHH)	H(C[6]C[6,6]O[6]O)	109.6830	0.000	1	109.6830	0.000	1	108.9253	0.540	3	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6,6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H)	O(C[6]C[6,6]O[6]H)(CH3)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OC)(H){1|C<4>,1|O<1>,3|C<3>}	O(C[6]C[6,6]O[6]H)(CH3)	H(C[6]C[6,6]O[6]O)	108.2150	0.000	1	108.2150	0.000	1	108.9253	0.540	3	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H)	O(C[6]C[6,6a]O[6]H)(CH3)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]O[6]H)(CH3)	H(C[6]C[6,6a]O[6]O)	111.7130	1.068	2	111.7130	1.140	2	109.0318	2.103	12	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H)	O(C[6]C[6,6a]O[6]H)(CC[5]CH)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]O[6]H)(CC[5]CH)	H(C[6]C[6,6a]O[6]O)	107.1780	0.030	2	107.1780	0.001	2	109.0318	2.103	12	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	O(C[6]C[6,6a]O[6]H)(CCHH)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]O[6]H)(CCHH)	H(C[6]C[6,6a]O[6]O)	108.7740	0.189	6	108.7740	0.036	6	109.0318	2.103	12	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	O(C[6]C[6,6a]O[6]H)(CC[6a]CH)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]O[6]H)(CC[6a]CH)	H(C[6]C[6,6a]O[6]O)	108.9775	0.401	2	108.9775	0.161	2	109.0318	2.103	12	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H)	O(C[6]C[6,6a]O[6]H)2	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]O[6]H)2	H(C[6]C[6,6a]O[6]O)	110.1770	0.000	1	110.1770	0.000	1	110.1770	0.000	1	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	106.1790	0.000	1	107.9675	6.397	2	108.6773	1.013	12	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	109.7560	0.000	1	107.9675	6.397	2	108.6773	1.013	12	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.0760	0.000	1	109.0760	0.000	1	108.6773	1.013	12	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|H<1>,3|C<4>}	O(C[6]C[6]O[6]H)(CCCH)	H(C[6]C[6]O[6]O)	108.4550	0.000	1	108.4550	0.000	1	108.6773	1.013	12	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC)(H){1|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	108.0905	0.237	2	108.0905	0.056	2	108.6773	1.013	12	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	108.3830	0.190	2	108.3830	0.036	2	108.6773	1.013	12	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|Ni<4>,1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]2H)	H(C[6]C[6]O[6]O)	109.6960	0.163	2	109.6960	0.026	2	108.6773	1.013	12	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]N[6]C)(O[6]C[6])(OC)(H){1|Ni<4>,1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.1615	0.060	2	109.1615	0.004	2	108.6773	1.013	12	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]O)(O[6]C[6])(OC[6])(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	108.3420	0.221	3	108.3420	0.049	3	108.4722	0.199	5	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	108.1330	0.000	1	108.1330	0.000	1	108.4722	0.199	5	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]N)(O[6]C[6])(OC[6])(H){2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	109.2020	0.000	1	109.2020	0.000	1	108.4722	0.199	5	108.9506	1.153	38	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[5a,6]-3:N[5a,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(OH)(H)	O(C[6]C[5a,6]N[5a,6]H)(H)	H(C[6]C[5a,6]N[5a,6]O)	C[6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(OH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	O(C[6]C[5a,6]N[5a,6]H)(H)	H(C[6]C[5a,6]N[5a,6]O)	106.8320	0.000	1	106.8320	0.000	1	106.8320	0.000	1	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6,6]-3:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6,6a]-3:C[6,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	O(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2O)	107.7040	0.000	1	108.4000	3.004	8	108.4000	3.004	8	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	O(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|O<2>,4|C<3>}	O(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2O)	109.3723	0.334	3	108.4000	3.004	8	108.4000	3.004	8	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	O(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|H<1>,5|C<3>}	O(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2O)	104.3790	0.000	1	108.4000	3.004	8	108.4000	3.004	8	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	O(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|O<2>,5|C<3>}	O(C[6]C[6,6a]2H)(H)	H(C[6]C[6,6a]2O)	109.0000	0.343	3	108.4000	3.004	8	108.4000	3.004	8	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	110.2940	0.000	1	108.6870	5.165	2	108.6382	1.734	4	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.0800	0.000	1	108.6870	5.165	2	108.6382	1.734	4	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.5895	0.170	2	108.5895	0.029	2	108.6382	1.734	4	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6,6a]-3:N[5,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H)	O(C[6]C[6,6a]N[5,6]H)(H)	H(C[6]C[6,6a]N[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H){1|H<1>,3|C<4>,4|C<3>}	O(C[6]C[6,6a]N[5,6]H)(H)	H(C[6]C[6,6a]N[5,6]O)	107.0850	0.000	1	107.0850	0.000	1	107.0850	0.000	1	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6,6a]-3:N[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]N[6,6a]H)(H)	H(C[6]C[6,6a]N[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]N[6,6a]H)(H)	H(C[6]C[6,6a]N[6,6a]O)	109.3390	0.000	1	109.3390	0.000	1	109.3390	0.000	1	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H)	O(C[6]C[6,6a]N[6]H)(H)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6]H)(H)	H(C[6]C[6,6a]N[6]O)	109.2450	0.000	1	109.2450	0.000	1	108.6877	0.275	3	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H)	O(C[6]C[6,6a]N[6]H)(H)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6]H)(H)	H(C[6]C[6,6a]N[6]O)	108.2030	0.000	1	108.2030	0.000	1	108.6877	0.275	3	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H)	O(C[6]C[6,6a]N[6]H)(H)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]N[6]H)(H)	H(C[6]C[6,6a]N[6]O)	108.6150	0.000	1	108.6150	0.000	1	108.6877	0.275	3	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	108.2240	0.000	1	108.2240	0.000	1	108.4882	2.237	4	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6]S)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	107.8840	0.000	1	107.8840	0.000	1	108.4882	2.237	4	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|N<2>,2|C<3>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	110.6400	0.000	1	110.6400	0.000	1	108.4882	2.237	4	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]O[6]C)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6a]C[6])(N[6]O[6]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	107.2050	0.000	1	107.2050	0.000	1	108.4882	2.237	4	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	N[5,6]-3:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H)	O(C[6]N[5,6]C[6]H)(H)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]N[5,6]C[6]H)(H)	H(C[6]N[5,6]C[6]O)	106.9790	0.000	1	106.9790	0.000	1	106.9790	0.000	1	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	N[5a,6]-3:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]H)(OH)(H)	O(C[6]N[5a,6]C[6]H)(H)	H(C[6]N[5a,6]C[6]O)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]H)(OH)(H){1|N<2>,2|C<3>,2|H<1>}	O(C[6]N[5a,6]C[6]H)(H)	H(C[6]N[5a,6]C[6]O)	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	N[6]-3:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]N[6]O)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](N[6]C[5,6]C)(C[6]N[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	109.5020	0.000	1	109.5020	0.000	1	108.4705	2.128	2	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:1:	4:	N[6]-3:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	107.4390	0.000	1	107.4390	0.000	1	108.4705	2.128	2	108.3329	1.607	28	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:2:	4:	C[5a,6]-3:N[5,6]-3:O-2:H-1:	C[6]-4:O-2:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H)	O(C[6]C[5a,6]N[5,6]H)(OH)	H(C[6]C[5a,6]N[5,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	O(C[6]C[5a,6]N[5,6]H)(OH)	H(C[6]C[5a,6]N[5,6]O)	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:4:	4:	C[5a,6]-3:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(OC)(H)	O(C[6]C[5a,6]C[6]H)(CH3)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6]H)(CH3)	H(C[6]C[5a,6]C[6]O)	103.9600	0.000	1	103.9600	0.000	1	103.9600	0.000	1	108.3742	3.342	16	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H)	O(C[6]C[6,6a]N[6]H)(CH3)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H){1|O<2>,4|C<3>}	O(C[6]C[6,6a]N[6]H)(CH3)	H(C[6]C[6,6a]N[6]O)	108.3880	0.330	2	108.3880	0.109	2	108.5007	0.594	8	108.3742	3.342	16	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H)	O(C[6]C[6,6a]N[6]H)(CH3)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6]H)(CH3)	H(C[6]C[6,6a]N[6]O)	107.3540	0.000	1	107.3540	0.000	1	108.5007	0.594	8	108.3742	3.342	16	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H)	O(C[6]C[6,6a]N[6]H)(CH3)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]N[6]H)(CH3)	H(C[6]C[6,6a]N[6]O)	109.1280	0.000	1	109.1280	0.000	1	108.5007	0.594	8	108.3742	3.342	16	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	O(C[6]C[6,6a]N[6]H)(CCHH)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	O(C[6]C[6,6a]N[6]H)(CCHH)	H(C[6]C[6,6a]N[6]O)	109.3945	0.052	2	109.3945	0.003	2	108.5007	0.594	8	108.3742	3.342	16	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	O(C[6]C[6,6a]N[6]H)(CC[3]HH)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	O(C[6]C[6,6a]N[6]H)(CC[3]HH)	H(C[6]C[6,6a]N[6]O)	107.9795	0.411	2	107.9795	0.169	2	108.5007	0.594	8	108.3742	3.342	16	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:4:	4:	C[6]-3:C[6]-3:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]H)2(OSi)(H)	O(C[6]C[6]2H)(SiC[6a]2C)	H(C[6]C[6]2O)	C[6](C[6]C[6]H)2(OSi)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC[6a]2C)	H(C[6]C[6]2O)	108.3030	0.000	1	108.3030	0.000	1	108.3030	0.000	1	108.3742	3.342	16	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:4:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H)	O(C[6]C[6]N[6]H)(CC[6a]HH)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6]H)(CC[6a]HH)	H(C[6]C[6]N[6]O)	111.0470	0.000	1	111.0470	0.000	1	109.8215	1.089	4	108.3742	3.342	16	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:4:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H)	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H){1|C<4>,1|N<2>,2|C<3>}	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	108.9825	0.391	2	108.9825	0.153	2	109.8215	1.089	4	108.3742	3.342	16	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:4:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H)	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H){1|C<4>,1|N<2>,2|C<3>}	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	110.2740	0.000	1	110.2740	0.000	1	109.8215	1.089	4	108.3742	3.342	16	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:4:	4:	N[5a,6]-3:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC)(H)	O(C[6]N[5a,6]C[6]H)(CH3)	H(C[6]N[5a,6]C[6]O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]N[5a,6]C[6]H)(CH3)	H(C[6]N[5a,6]C[6]O)	104.7630	0.000	1	104.7630	0.000	1	104.7630	0.000	1	108.3742	3.342	16	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:3:2:1:	4:4:	4:	N[6]-3:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6a]N[6])2(OC)(H)	O(C[6]N[6]2H)(CH3)	H(C[6]N[6]2O)	C[6](N[6]C[6a]N[6])2(OC)(H){1|N<2>,5|C<3>}	O(C[6]N[6]2H)(CH3)	H(C[6]N[6]2O)	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	108.3742	3.342	16	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[3x6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H)	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]2)(C[6]C[6]CC)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.9520	0.000	1	108.9520	0.000	1	109.1063	0.194	15	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.6225	0.311	4	109.6225	0.097	4	109.1063	0.194	15	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.6700	0.000	1	108.6700	0.000	1	109.1063	0.194	15	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.1647	0.517	3	108.9357	0.140	7	109.1063	0.194	15	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.7640	0.103	4	108.9357	0.140	7	109.1063	0.194	15	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClH)(OH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.1320	0.000	1	109.1320	0.000	1	109.1063	0.194	15	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.8010	0.000	1	108.8010	0.000	1	109.1063	0.194	15	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[3x6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H)	O(C[6]C[5a,6]C[3x6]H)(H)	H(C[6]C[5a,6]C[3x6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	O(C[6]C[5a,6]C[3x6]H)(H)	H(C[6]C[5a,6]C[3x6]O)	108.9300	0.000	1	108.9300	0.000	1	108.9300	0.000	1	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(OH)(H)	O(C[6]C[5a,6]C[5,6]H)(H)	H(C[6]C[5a,6]C[5,6]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[5,6]H)(H)	H(C[6]C[5a,6]C[5,6]O)	109.5673	0.253	4	109.5673	0.064	4	108.9677	0.913	6	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H)	O(C[6]C[5a,6]C[5,6]H)(H)	H(C[6]C[5a,6]C[5,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H){1|H<1>,1|N<3>,1|S<2>,2|O<1>,4|C<3>}	O(C[6]C[5a,6]C[5,6]H)(H)	H(C[6]C[5a,6]C[5,6]O)	107.9410	0.000	1	107.9410	0.000	1	108.9677	0.913	6	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(OH)(H)	O(C[6]C[5a,6]C[5,6]H)(H)	H(C[6]C[5a,6]C[5,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(OH)(H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[5,6]H)(H)	H(C[6]C[5a,6]C[5,6]O)	107.5960	0.000	1	107.5960	0.000	1	108.9677	0.913	6	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H)	O(C[6]C[5a,6]C[6,6]H)(H)	H(C[6]C[5a,6]C[6,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	O(C[6]C[5a,6]C[6,6]H)(H)	H(C[6]C[5a,6]C[6,6]O)	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	110.2310	0.000	1	110.2310	0.000	1	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	108.6530	0.184	2	108.2490	0.507	3	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	107.4410	0.000	1	108.2490	0.507	3	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	109.1870	0.000	1	109.1870	0.000	1	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	109.1180	0.000	1	109.1180	0.000	1	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	107.7000	0.000	1	107.7000	0.000	1	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	109.2080	0.000	1	109.2080	0.000	1	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H){2|H<1>,4|C<3>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	109.8600	0.000	1	109.8600	0.000	1	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	109.3600	0.000	1	109.3600	0.000	1	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	108.0886	0.741	5	108.0886	0.549	5	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	109.2540	0.000	1	109.0085	0.121	2	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	108.7630	0.000	1	109.0085	0.121	2	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	106.3790	0.000	1	106.3790	0.000	1	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	108.2570	0.000	1	108.2570	0.000	1	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<2>}	O(C[6]C[5a,6]C[6]H)(H)	H(C[6]C[5a,6]C[6]O)	108.3485	0.579	2	108.3485	0.335	2	108.5335	0.869	21	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(OH)(H){1|C<3>,5|C<4>,7|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	107.9960	0.000	1	107.9960	0.000	1	107.9960	0.000	1	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[5,6])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[4,6,6]C[5,6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.4350	0.000	1	107.4350	0.000	1	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.6950	0.000	1	107.6950	0.000	1	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.1430	0.000	1	108.6420	0.498	2	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.1410	0.000	1	108.6420	0.498	2	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.3850	0.291	2	107.3850	0.085	2	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){1|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.3780	0.000	1	107.4850	0.023	2	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OH)(H){7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.5920	0.000	1	107.4850	0.023	2	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.3445	0.651	2	107.2850	1.573	10	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.5680	0.000	1	107.2850	1.573	10	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8600	0.000	1	107.2850	1.573	10	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.7785	0.062	2	107.2850	1.573	10	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)(H){3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.0440	0.424	4	107.2850	1.573	10	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.6380	0.000	1	106.6380	0.000	1	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.3500	0.000	1	108.3500	0.000	1	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0466	0.362	5	108.0466	0.131	5	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.2000	0.000	1	108.1138	1.501	10	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.6800	0.621	4	108.1138	1.501	10	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.8100	0.000	1	108.1138	1.501	10	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.6110	2.227	3	108.1138	1.501	10	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.5750	0.000	1	108.1138	1.501	10	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.3730	0.000	2	109.1297	0.178	3	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(OH)(H){3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.6430	0.000	1	109.1297	0.178	3	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.5160	0.000	1	108.5160	0.000	1	107.8787	1.116	39	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H)	O(C[6]C[6,6a]C[3,6]H)(H)	H(C[6]C[6,6a]C[3,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H){2|C<4>,3|C<3>,3|O<2>}	O(C[6]C[6,6a]C[3,6]H)(H)	H(C[6]C[6,6a]C[3,6]O)	108.9412	0.752	8	108.9412	0.566	8	108.7774	0.564	10	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H)	O(C[6]C[6,6a]C[3,6]H)(H)	H(C[6]C[6,6a]C[3,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H){1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[3,6]H)(H)	H(C[6]C[6,6a]C[3,6]O)	108.2610	0.000	1	108.2610	0.000	1	108.7774	0.564	10	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OH)(H)	O(C[6]C[6,6a]C[3,6]H)(H)	H(C[6]C[6,6a]C[3,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[3,6]H)(H)	H(C[6]C[6,6a]C[3,6]O)	107.9830	0.000	1	107.9830	0.000	1	108.7774	0.564	10	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	107.3310	0.000	1	107.3026	0.072	5	108.2171	1.992	14	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	107.2690	0.341	2	107.3026	0.072	5	108.2171	1.992	14	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	107.0320	0.000	1	107.3026	0.072	5	108.2171	1.992	14	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	107.6120	0.000	1	107.3026	0.072	5	108.2171	1.992	14	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	107.9295	2.360	2	107.4837	3.380	3	108.2171	1.992	14	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	106.5920	0.000	1	107.4837	3.380	3	108.2171	1.992	14	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	110.2940	0.000	1	110.2940	0.000	1	108.2171	1.992	14	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H){1|S<2>,2|H<1>,2|O<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	108.2320	0.000	1	108.2320	0.000	1	108.2171	1.992	14	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	108.5555	0.245	2	108.5555	0.060	2	108.2171	1.992	14	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	109.7550	0.000	1	109.7550	0.000	1	108.2171	1.992	14	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	110.6840	0.000	1	110.6840	0.000	1	108.2171	1.992	14	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	107.9835	0.265	2	107.8519	0.717	8	108.0435	1.850	20	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	107.3865	0.655	4	107.8519	0.717	8	108.0435	1.850	20	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	107.7890	0.000	1	107.8519	0.717	8	108.0435	1.850	20	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	109.5130	0.000	1	107.8519	0.717	8	108.0435	1.850	20	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	109.1380	0.000	1	108.1594	0.454	8	108.0435	1.850	20	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	107.1920	0.000	1	108.1594	0.454	8	108.0435	1.850	20	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	108.3418	0.256	5	108.1594	0.454	8	108.0435	1.850	20	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	107.2360	0.000	1	108.1594	0.454	8	108.0435	1.850	20	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	112.6200	0.000	1	112.6200	0.000	1	108.0435	1.850	20	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	107.1670	0.000	1	106.7535	0.342	2	108.0435	1.850	20	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	106.3400	0.000	1	106.7535	0.342	2	108.0435	1.850	20	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	106.6520	0.000	1	106.6520	0.000	1	108.0435	1.850	20	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.3600	1.431	2	108.3600	2.048	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H){5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.6020	0.000	1	107.6020	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.2735	0.332	2	109.2735	0.110	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.0650	1.928	2	109.0650	3.716	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.1670	0.088	2	109.1670	0.008	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H){1|C<4>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.2220	0.000	1	109.2220	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.4300	0.000	1	107.4300	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	106.3815	0.066	2	106.3815	0.004	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.7560	0.000	1	107.7560	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.0315	0.395	2	108.0315	0.156	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.6330	0.000	1	107.6330	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.8890	0.000	1	108.8890	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.6850	0.000	1	107.6850	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.0615	0.989	2	108.0615	0.979	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	106.3120	0.000	1	106.3120	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	106.7140	0.000	1	106.7140	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	106.9110	0.000	1	106.9110	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.6240	0.000	1	107.5635	0.007	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.5030	0.000	1	107.5635	0.007	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.6360	0.000	1	108.6360	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.6310	0.000	1	108.6310	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.1090	0.496	2	109.1090	0.246	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.6500	0.000	1	107.6500	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.7170	0.000	1	108.6444	0.786	8	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.8133	1.148	3	108.6444	0.786	8	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.4590	0.856	2	108.6444	0.786	8	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.0400	0.318	2	108.6444	0.786	8	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.1900	0.000	1	109.1900	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	105.9073	2.748	3	107.6710	8.314	6	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.1630	0.000	1	107.6710	8.314	6	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	110.5705	0.264	2	107.6710	8.314	6	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.6960	0.000	1	108.6960	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.3580	0.074	2	107.4354	6.711	17	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.5305	0.132	2	107.4354	6.711	17	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.2850	0.000	1	107.4354	6.711	17	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	111.6410	0.000	1	107.4354	6.711	17	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	102.8950	1.698	3	107.4354	6.711	17	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.2810	0.000	1	107.4354	6.711	17	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.0825	1.200	2	107.4354	6.711	17	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.2570	0.000	1	107.4354	6.711	17	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	106.4540	0.684	2	107.4354	6.711	17	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.2010	1.291	2	107.4354	6.711	17	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.0110	0.000	1	107.9713	0.822	3	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.4515	0.152	2	107.9713	0.822	3	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.9870	0.000	1	108.0277	1.264	20	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.4140	0.000	1	108.0277	1.264	20	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.5130	0.000	1	108.0277	1.264	20	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	106.9800	0.000	1	108.0277	1.264	20	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.2380	0.000	1	108.0277	1.264	20	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|S<2>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.1743	1.078	4	108.0277	1.264	20	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	106.4150	1.170	2	108.0277	1.264	20	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.8940	0.000	1	108.0277	1.264	20	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.3420	0.000	1	108.0277	1.264	20	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.6657	0.766	7	108.0277	1.264	20	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.4960	0.000	1	109.0456	0.994	9	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.3260	1.140	2	109.0456	0.994	9	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	110.5375	0.657	2	109.0456	0.994	9	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.7968	0.246	4	109.0456	0.994	9	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.1710	1.248	5	107.6157	1.640	7	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.7275	0.388	2	107.6157	1.640	7	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.5800	0.000	1	111.7855	20.550	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	114.9910	0.000	1	111.7855	20.550	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.5220	0.037	2	108.1377	0.636	4	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.7535	0.624	2	108.1377	0.636	4	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.1625	0.192	2	108.1625	0.037	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|C<4>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.0440	0.000	1	108.1785	3.312	8	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	110.6950	0.355	2	108.1785	3.312	8	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.1650	0.000	1	108.1785	3.312	8	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.2073	1.363	4	108.1785	3.312	8	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.0600	0.000	1	107.0600	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.2370	1.669	2	108.2370	2.785	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.4330	0.000	1	108.4330	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.5060	0.740	2	109.5060	0.547	2	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.1516	0.819	9	109.3524	0.999	10	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	111.1600	0.000	1	109.3524	0.999	10	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.2233	1.548	4	109.2233	2.397	4	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H){1|N<3>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	107.0290	0.000	1	107.0290	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	109.7980	0.000	1	109.7980	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]O)	108.5850	0.000	1	108.5850	0.000	1	108.2707	2.638	142	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]N[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6a]N[6]H)(OH)(H){1|O<2>,6|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.7570	0.000	1	107.7570	0.000	1	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2770	0.566	3	108.2770	0.320	3	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]N[6]HH)(OH)(H){1|C<4>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.4020	0.000	1	110.4020	0.000	1	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.5460	0.023	2	107.5460	0.001	2	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3640	0.000	1	108.3640	0.000	1	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.3900	0.000	1	108.5097	0.710	12	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6002	0.992	6	108.5097	0.710	12	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.8020	0.000	1	108.5097	0.710	12	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8307	0.476	4	108.5097	0.710	12	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9020	0.000	1	108.9020	0.000	1	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6000	0.000	1	108.3748	0.252	6	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9220	0.000	1	108.3748	0.252	6	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4317	0.341	4	108.3748	0.252	6	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9948	0.681	6	107.9948	0.463	6	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OH)(H){2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.5610	0.000	1	109.5610	0.000	1	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9165	0.347	2	107.9165	0.121	2	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0205	0.120	2	108.8692	0.975	4	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.7180	0.174	2	108.8692	0.975	4	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3420	0.000	1	109.3420	0.000	1	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(OH)(H){4|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.1040	0.000	1	110.1040	0.000	1	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0800	0.000	1	108.0800	0.000	1	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.7210	0.000	1	109.7210	0.000	1	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9500	0.000	1	108.9500	0.000	1	108.5056	0.694	45	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H)	O(C[6]N[5,6]C[6]H)(H)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6]N[5,6]C[6]H)(H)	H(C[6]N[5,6]C[6]O)	108.8750	0.000	1	108.8750	0.000	1	108.6939	1.310	7	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	O(C[6]N[5,6]C[6]H)(H)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6]N[5,6]C[6]H)(H)	H(C[6]N[5,6]C[6]O)	109.5550	0.000	1	109.5550	0.000	1	108.6939	1.310	7	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H)	O(C[6]N[5,6]C[6]H)(H)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<1>,4|C<3>}	O(C[6]N[5,6]C[6]H)(H)	H(C[6]N[5,6]C[6]O)	108.5365	1.507	4	108.5365	2.272	4	108.6939	1.310	7	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H)	O(C[6]N[5,6]C[6]H)(H)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H){1|O<1>,3|C<4>}	O(C[6]N[5,6]C[6]H)(H)	H(C[6]N[5,6]C[6]O)	108.2810	0.000	1	108.2810	0.000	1	108.6939	1.310	7	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	O(C[6]N[5a,6]C[6]H)(H)	H(C[6]N[5a,6]C[6]O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){2|C<4>,4|C<3>}	O(C[6]N[5a,6]C[6]H)(H)	H(C[6]N[5a,6]C[6]O)	108.6760	0.000	1	108.5690	0.561	4	108.9026	0.349	9	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H)	O(C[6]N[5a,6]C[6]H)(H)	H(C[6]N[5a,6]C[6]O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OH)(H){3|C<3>,3|C<4>}	O(C[6]N[5a,6]C[6]H)(H)	H(C[6]N[5a,6]C[6]O)	108.5333	0.913	3	108.5690	0.561	4	108.9026	0.349	9	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H)	O(C[6]N[5a,6]C[6]H)(H)	H(C[6]N[5a,6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]N[5a,6]C[6]H)(H)	H(C[6]N[5a,6]C[6]O)	109.0757	0.349	3	109.0757	0.122	3	108.9026	0.349	9	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	O(C[6]N[5a,6]C[6]H)(H)	H(C[6]N[5a,6]C[6]O)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]N[5a,6]C[6]H)(H)	H(C[6]N[5a,6]C[6]O)	109.3100	0.017	2	109.3100	0.000	2	108.9026	0.349	9	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|C<3>,3|C<4>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	108.9280	0.001	2	108.9280	0.000	2	108.9590	0.003	3	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:1:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	109.0210	0.000	1	109.0210	0.000	1	108.9590	0.003	3	108.3610	1.735	335	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:2:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:O-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H)	O(C[6]C[5a,6]C[6]H)(OH)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	O(C[6]C[5a,6]C[6]H)(OH)	H(C[6]C[5a,6]C[6]O)	109.9260	0.000	1	109.9260	0.000	1	109.9260	0.000	1	109.7110	0.056	3	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:2:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:O-2:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H)	O(C[6]C[6]N[6]H)(OC[6])	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6]H)(OC[6])	H(C[6]C[6]N[6]O)	109.6035	0.207	2	109.6035	0.043	2	109.6035	0.043	2	109.7110	0.056	3	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[5,6,6]-3:C[6,6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[6,6]C[6]C)(OC)(H)	O(C[6]C[5,6,6]C[6,6]H)(CH3)	H(C[6]C[5,6,6]C[6,6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,2|O<2>,7|C<4>}	O(C[6]C[5,6,6]C[6,6]H)(CH3)	H(C[6]C[5,6,6]C[6,6]O)	108.6920	0.000	1	108.6920	0.000	1	108.6920	0.000	1	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6a]C[6]H)(OC)(H){1|C<4>,1|W<6>,2|H<1>,5|C<3>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H)	O(C[6]C[5a,6]C[5,6]H)(CCHH)	H(C[6]C[5a,6]C[5,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[5,6]H)(CCHH)	H(C[6]C[5a,6]C[5,6]O)	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H)	O(C[6]C[5a,6]C[6]H)(CH3)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H){1|N<3>,3|C<3>}	O(C[6]C[5a,6]C[6]H)(CH3)	H(C[6]C[5a,6]C[6]O)	109.3540	0.000	1	109.3540	0.000	1	109.7357	0.260	4	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5a,6]C[6]H)(CC[6a]HH)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6]H)(CC[6a]HH)	H(C[6]C[5a,6]C[6]O)	110.3990	0.000	1	110.3990	0.000	1	109.7357	0.260	4	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5a,6]C[6]H)(CH3)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(CH3)	H(C[6]C[5a,6]C[6]O)	109.3160	0.000	1	109.3160	0.000	1	109.7357	0.260	4	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5a,6]C[6]H)(CH3)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6]H)(CH3)	H(C[6]C[5a,6]C[6]O)	109.8740	0.000	1	109.8740	0.000	1	109.7357	0.260	4	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	108.7980	0.000	1	108.7980	0.000	1	109.2270	0.360	10	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(OC)(H){7|C<4>}	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	108.1230	0.000	1	108.1230	0.000	1	109.2270	0.360	10	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(OC)(H){1|C<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	109.1840	0.000	1	109.1840	0.000	1	109.2270	0.360	10	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	109.6885	0.081	4	109.6885	0.007	4	109.2270	0.360	10	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	109.8400	0.000	1	109.8400	0.000	1	109.2270	0.360	10	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	109.1010	0.000	1	109.1010	0.000	1	109.2270	0.360	10	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]CO)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	108.4700	0.000	1	108.4700	0.000	1	109.2270	0.360	10	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H)	O(C[6]C[6,6]C[6]H)(SiC[6a]2C)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(OSi)(H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(SiC[6a]2C)	H(C[6]C[6,6]C[6]O)	113.2660	0.000	1	113.2660	0.000	1	113.2660	0.000	1	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	O(C[6]C[6,6a]C[5,6]H)(CH3)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	O(C[6]C[6,6a]C[5,6]H)(CH3)	H(C[6]C[6,6a]C[5,6]O)	106.7380	0.000	1	107.4733	0.423	3	107.4733	0.423	3	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	O(C[6]C[6,6a]C[5,6]H)(CH3)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(CH3)	H(C[6]C[6,6a]C[5,6]O)	107.8410	0.185	2	107.4733	0.423	3	107.4733	0.423	3	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H)	O(C[6]C[6,6a]C[5,6]H)2	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H){1|C<4>,4|C<3>,7|H<1>}	O(C[6]C[6,6a]C[5,6]H)2	H(C[6]C[6,6a]C[5,6]O)	110.0125	0.067	2	110.0125	0.005	2	110.0125	0.005	2	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H)	O(C[6]C[6,6a]C[5,6]H)(SiC3)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(SiC3)	H(C[6]C[6,6a]C[5,6]O)	108.3760	0.000	1	108.3760	0.000	1	108.3430	0.001	3	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H)	O(C[6]C[6,6a]C[5,6]H)(SiC3)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(SiC3)	H(C[6]C[6,6a]C[5,6]O)	108.3265	0.006	2	108.3265	0.000	2	108.3430	0.001	3	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	108.7385	0.152	2	108.7385	0.023	2	108.6576	1.488	18	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	107.6190	0.273	2	107.6190	0.074	2	108.6576	1.488	18	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CCHH)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(CCHH)	H(C[6]C[6,6a]C[6]O)	110.2510	0.000	1	110.2510	0.000	1	108.6576	1.488	18	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CCHH)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(CCHH)	H(C[6]C[6,6a]C[6]O)	107.1100	2.729	2	107.1100	7.450	2	108.6576	1.488	18	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	108.8650	0.000	1	108.8516	0.169	5	108.6576	1.488	18	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	109.1280	0.000	1	108.8516	0.169	5	108.6576	1.488	18	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	108.5945	0.644	2	108.8516	0.169	5	108.6576	1.488	18	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	109.0760	0.000	1	108.8516	0.169	5	108.6576	1.488	18	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|I<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	109.6790	0.000	1	108.3000	3.803	2	108.6576	1.488	18	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	106.9210	0.000	1	108.3000	3.803	2	108.6576	1.488	18	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CC[6a]HH)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]HH)	H(C[6]C[6,6a]C[6]O)	109.8865	0.088	2	109.8865	0.008	2	108.6576	1.488	18	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	109.1790	0.000	1	109.1790	0.000	1	108.6576	1.488	18	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H)	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[6]H)(CH3)	H(C[6]C[6,6a]C[6]O)	108.8400	0.000	1	108.8400	0.000	1	108.6576	1.488	18	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H)	O(C[6]C[6,6a]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6,6a]C[6]O)	108.3390	0.536	2	108.3390	0.287	2	108.3390	0.287	2	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	H(C[6]C[6,6a]C[6]O)	108.0630	0.000	1	108.0630	0.000	1	109.2723	1.119	3	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6,6a]C[6]H)(SiC3)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(SiC3)	H(C[6]C[6,6a]C[6]O)	109.7280	0.000	1	109.7280	0.000	1	109.2723	1.119	3	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H)	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	H(C[6]C[6,6a]C[6]O)	110.0260	0.000	1	110.0260	0.000	1	109.2723	1.119	3	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:N[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H)	O(C[6]C[6,6a]N[6]H)(CH3)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	O(C[6]C[6,6a]N[6]H)(CH3)	H(C[6]C[6,6a]N[6]O)	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:P[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]ClW)(OC)(H)	O(C[6]C[6,6a]P[6]H)(CH3)	H(C[6]C[6,6a]P[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]ClW)(OC)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]P[6]H)(CH3)	H(C[6]C[6,6a]P[6]O)	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.2476	1.578	5	108.2476	2.491	5	108.7417	1.684	11	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.3760	0.000	1	108.3760	0.000	1	108.7417	1.684	11	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(OC)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.3570	0.000	1	109.3570	0.000	1	108.7417	1.684	11	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(OC)(H){2|C<4>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.9200	0.000	1	109.9200	0.000	1	108.7417	1.684	11	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	110.5870	0.000	1	110.5870	0.000	1	108.7417	1.684	11	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.3405	0.162	2	108.3405	0.026	2	108.7417	1.684	11	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OSi)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	107.8260	0.000	1	107.8260	0.000	1	108.9460	1.165	6	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	107.3520	0.000	1	107.3520	0.000	1	108.9460	1.165	6	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	C[6]-3:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.6245	0.250	4	109.6245	0.062	4	108.9460	1.165	6	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H)	O(C[6]N[5,6]C[6]H)(CH3)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,4|C<4>}	O(C[6]N[5,6]C[6]H)(CH3)	H(C[6]N[5,6]C[6]O)	108.5160	0.000	1	108.5160	0.000	1	109.2893	0.442	4	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	O(C[6]N[5,6]C[6]H)(CCHH)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6]N[5,6]C[6]H)(CCHH)	H(C[6]N[5,6]C[6]O)	108.9580	0.000	1	108.9580	0.000	1	109.2893	0.442	4	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H)	O(C[6]N[5,6]C[6]H)(CH3)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H){1|O<1>,4|C<3>}	O(C[6]N[5,6]C[6]H)(CH3)	H(C[6]N[5,6]C[6]O)	109.8415	0.091	2	109.8415	0.008	2	109.2893	0.442	4	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	N[5a,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H)	O(C[6]N[5a,6]C[6]H)(CCHH)	H(C[6]N[5a,6]C[6]O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,3|C<4>}	O(C[6]N[5a,6]C[6]H)(CCHH)	H(C[6]N[5a,6]C[6]O)	108.8410	0.052	2	108.8410	0.003	2	108.8410	0.003	2	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	N[6,6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H)	O(C[6]N[6,6]C[6]H)(CH3)	H(C[6]N[6,6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]N[6,6]C[6]H)(CH3)	H(C[6]N[6,6]C[6]O)	109.4137	0.454	3	109.4137	0.206	3	109.4137	0.206	3	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	N[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	O(C[6]N[6,6a]C[6]H)(CCCH)	H(C[6]N[6,6a]C[6]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]N[6,6a]C[6]H)(CCCH)	H(C[6]N[6,6a]C[6]O)	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	108.9980	0.000	1	108.9980	0.000	1	109.6900	2.921	5	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]NiH)(OC)(H)	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]NiH)(OC)(H){1|H<1>,2|C<3>}	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	109.6350	0.000	1	109.6350	0.000	1	109.6900	2.921	5	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H){1|O<1>,2|C<3>,3|C<4>}	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	108.2620	0.000	1	108.2620	0.000	1	109.6900	2.921	5	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){1|O<1>,4|C<3>}	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	112.6210	0.000	1	112.6210	0.000	1	109.6900	2.921	5	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	3:4:2:1:	4:4:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){2|H<1>,4|C<3>}	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	108.9340	0.000	1	108.9340	0.000	1	109.6900	2.921	5	108.9858	1.358	84	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[3,6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OH)(H)	O(C[6]C[3,6,6]O[6]H)(H)	H(C[6]C[3,6,6]O[6]O)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[3,6,6]O[6]H)(H)	H(C[6]C[3,6,6]O[6]O)	108.8620	0.000	1	108.8620	0.000	1	108.8620	0.000	1	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[3x6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H)	O(C[6]C[3x6]O[6]H)(H)	H(C[6]C[3x6]O[6]O)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[3x6]O[6]H)(H)	H(C[6]C[3x6]O[6]O)	108.6400	0.000	1	108.0165	0.778	2	108.0165	0.778	2	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[3x6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H)	O(C[6]C[3x6]O[6]H)(H)	H(C[6]C[3x6]O[6]O)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(OH)(H){5|C<4>,6|H<1>}	O(C[6]C[3x6]O[6]H)(H)	H(C[6]C[3x6]O[6]O)	107.3930	0.000	1	108.0165	0.778	2	108.0165	0.778	2	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H)	O(C[6]C[5,6]O[6]H)(H)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]O[6]H)(H)	H(C[6]C[5,6]O[6]O)	109.4910	0.185	2	109.4910	0.034	2	109.0470	0.275	4	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H)	O(C[6]C[5,6]O[6]H)(H)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OH)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]O[6]H)(H)	H(C[6]C[5,6]O[6]O)	108.6030	0.045	2	108.6030	0.002	2	109.0470	0.275	4	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])(OH)(H)	O(C[6]C[6,6]O[6]H)(H)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[3x6]C[6]C)(O[6]C[6,6])(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]O[6]H)(H)	H(C[6]C[6,6]O[6]O)	109.0740	0.000	1	109.0740	0.000	1	108.7935	0.495	6	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(OH)(H)	O(C[6]C[6,6]O[6]H)(H)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(OH)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]O[6]H)(H)	H(C[6]C[6,6]O[6]O)	109.6820	0.000	1	109.6820	0.000	1	108.7935	0.495	6	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H)	O(C[6]C[6,6]O[6]H)(H)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6]O[6]H)(H)	H(C[6]C[6,6]O[6]O)	109.0555	0.018	2	108.5012	0.422	4	108.7935	0.495	6	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H)	O(C[6]C[6,6]O[6]H)(H)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(OH)(H){2|C<3>,5|C<4>}	O(C[6]C[6,6]O[6]H)(H)	H(C[6]C[6,6]O[6]O)	107.9470	0.190	2	108.5012	0.422	4	108.7935	0.495	6	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	109.5230	0.000	1	109.1400	0.293	2	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]CH)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	108.7570	0.000	1	109.1400	0.293	2	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	108.8580	0.000	1	108.8580	0.000	1	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[3x6])(OH)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	108.7490	0.000	1	108.7490	0.000	1	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	108.2440	0.000	1	108.2440	0.000	1	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	107.7420	0.000	1	107.7420	0.000	1	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	109.9065	0.127	2	109.7467	0.085	3	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(OH)(H){1|H<1>,2|C<4>,2|S<2>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	109.4270	0.000	1	109.7467	0.085	3	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HH)(O[6]C[6])(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	110.2840	0.000	1	110.2840	0.000	1	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(OH)(H){2|H<1>,4|C<3>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	109.1497	2.755	3	109.1497	7.588	3	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(OH)(H){1|O<1>,2|C<3>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	109.0390	0.000	1	109.0390	0.000	1	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	108.0340	0.178	2	108.4740	0.597	3	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	109.3540	0.000	1	108.4740	0.597	3	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	110.2350	0.000	1	109.5007	0.407	3	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[5,6])(OH)(H){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	109.1335	0.067	2	109.5007	0.407	3	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OH)(H){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	108.7210	0.000	1	108.7210	0.000	1	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CO)(O[6]C[6])(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	106.3000	0.000	1	106.3000	0.000	1	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FF)(O[6]C[6])(OH)(H){1|H<1>,2|C<4>,2|F<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	109.8495	1.043	2	109.8495	1.088	2	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	109.2775	0.353	2	109.2775	0.125	2	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	110.0562	0.818	4	110.0562	0.669	4	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[3x6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[3x6])(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	108.4980	0.003	2	108.4980	0.000	2	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	108.6910	0.000	1	108.6910	0.000	1	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	108.7390	0.000	1	108.7390	0.000	1	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	109.0245	0.285	4	109.0245	0.081	4	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	109.0960	0.000	1	109.0960	0.000	1	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	109.6820	1.150	2	109.1939	2.606	45	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|H<1>,2|C<4>,2|F<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	110.4710	0.209	2	109.1939	2.606	45	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	112.9010	0.000	1	109.1939	2.606	45	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	108.9796	1.562	39	109.1939	2.606	45	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	110.3140	0.000	1	109.1939	2.606	45	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	109.2090	0.000	1	109.2090	0.000	1	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(OH)(H){1|C<4>,4|C<3>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	108.8570	0.007	2	108.8570	0.000	2	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:1:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(OH)(H)	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	C[6](C[6]N[6]HH)(O[6]C[6])(OH)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]O[6]H)(H)	H(C[6]C[6]O[6]O)	110.1080	0.000	1	110.1080	0.000	1	109.1555	1.816	88	109.1042	1.653	101	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(ON)(H)	O(C[6]C[6]O[6]H)(NOO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(ON)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(NOO)	H(C[6]C[6]O[6]O)	109.2565	0.019	2	109.2565	0.000	2	110.9910	2.116	6	110.0691	3.002	10	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H)	O(C[6]C[6]O[6]H)(NC[6a]C)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(NC[6a]C)	H(C[6]C[6]O[6]O)	112.1177	0.610	3	112.1177	0.372	3	110.9910	2.116	6	110.0691	3.002	10	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H)	O(C[6]C[6]O[6]H)(NOO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(ON)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(NOO)	H(C[6]C[6]O[6]O)	111.0800	0.000	1	111.0800	0.000	1	110.9910	2.116	6	110.0691	3.002	10	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(ON[5])(H)	O(C[6]C[6]O[6]H)(N[5]C[5]2)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(ON[5])(H){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(N[5]C[5]2)	H(C[6]C[6]O[6]O)	107.2620	0.000	1	107.2620	0.000	1	108.6863	1.229	4	110.0691	3.002	10	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N[5]-3:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H)	O(C[6]C[6]O[6]H)(N[5]C[5]2)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(ON[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(N[5]C[5]2)	H(C[6]C[6]O[6]O)	108.4450	0.000	1	108.4450	0.000	1	108.6863	1.229	4	110.0691	3.002	10	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:N[5]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H)	O(C[6]C[6]O[6]H)(N[5]C[5]2)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(ON[5])(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(N[5]C[5]2)	H(C[6]C[6]O[6]O)	109.5190	0.462	2	109.5190	0.214	2	108.6863	1.229	4	110.0691	3.002	10	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[3,6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OC)(H)	O(C[6]C[3,6,6]O[6]H)(CH3)	H(C[6]C[3,6,6]O[6]O)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(OC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[3,6,6]O[6]H)(CH3)	H(C[6]C[3,6,6]O[6]O)	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[3,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,5,6]N[3,5]H)(O[6]C[6])(OC)(H)	O(C[6]C[3,6]O[6]H)(CH3)	H(C[6]C[3,6]O[6]O)	C[6](C[3,6]C[3,5,6]N[3,5]H)(O[6]C[6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[3,6]O[6]H)(CH3)	H(C[6]C[3,6]O[6]O)	108.7375	0.667	2	108.7375	0.445	2	108.7375	0.445	2	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[3x6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6,6a])(OC)(H)	O(C[6]C[3x6]O[6]H)(CH3)	H(C[6]C[3x6]O[6]O)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6,6a])(OC)(H){1|H<1>,2|O<2>,4|C<3>}	O(C[6]C[3x6]O[6]H)(CH3)	H(C[6]C[3x6]O[6]O)	110.2700	0.000	1	110.2700	0.000	1	110.2700	0.000	1	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,5,6]-4:N[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H)	O(C[6]C[5,5,6]N[6]H)(CH3)	H(C[6]C[5,5,6]N[6]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,5,6]N[6]H)(CH3)	H(C[6]C[5,5,6]N[6]O)	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	O(C[6]C[5,5,6]O[6]H)(CH3)	H(C[6]C[5,5,6]O[6]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,5,6]O[6]H)(CH3)	H(C[6]C[5,5,6]O[6]O)	108.6810	0.000	2	108.3825	0.119	4	108.3825	0.119	4	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H)	O(C[6]C[5,5,6]O[6]H)(CH3)	H(C[6]C[5,5,6]O[6]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6,6])(OC)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	O(C[6]C[5,5,6]O[6]H)(CH3)	H(C[6]C[5,5,6]O[6]O)	108.0840	0.000	2	108.3825	0.119	4	108.3825	0.119	4	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(OC)(H)	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	110.5510	0.000	1	110.5510	0.000	1	109.0665	1.244	14	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H)	O(C[6]C[5,6]O[6]H)(CCHH)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]2C)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	O(C[6]C[5,6]O[6]H)(CCHH)	H(C[6]C[5,6]O[6]O)	109.0750	0.000	1	109.0750	0.000	1	109.0665	1.244	14	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H)	O(C[6]C[5,6]O[6]H)(CCHH)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[5,6]O[6]H)(CCHH)	H(C[6]C[5,6]O[6]O)	109.3160	0.000	1	109.3160	0.000	1	109.0665	1.244	14	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H)	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	109.7010	0.000	1	109.7010	0.000	1	109.0665	1.244	14	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H)	O(C[6]C[5,6]O[6]H)(CCHH)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	O(C[6]C[5,6]O[6]H)(CCHH)	H(C[6]C[5,6]O[6]O)	109.9320	0.000	1	109.9320	0.000	1	109.0665	1.244	14	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(OC)(H)	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,1|P<4>,1|S<4>,2|C<4>,2|H<1>}	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	110.1980	0.000	1	110.1980	0.000	1	109.0665	1.244	14	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	110.0610	0.000	1	108.3390	5.931	2	109.0665	1.244	14	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H)	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(OC)(H){2|H<1>,4|C<4>}	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	106.6170	0.000	1	108.3390	5.931	2	109.0665	1.244	14	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	O(C[6]C[5,6]O[6]H)(CCHH)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(C[6]C[5,6]O[6]H)(CCHH)	H(C[6]C[5,6]O[6]O)	109.6570	0.000	1	109.6570	0.000	1	109.0665	1.244	14	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H)	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]O[6]H)(CH3)	H(C[6]C[5,6]O[6]O)	108.3646	0.646	5	108.3646	0.418	5	109.0665	1.244	14	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(OC[6])(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	H(C[6]C[5,6]O[6]O)	109.3200	0.000	1	109.3200	0.000	1	109.0753	1.112	3	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(OC[6])(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	H(C[6]C[5,6]O[6]O)	109.9860	0.000	1	109.9860	0.000	1	109.0753	1.112	3	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[5,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]2H)	H(C[6]C[5,6]O[6]O)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[5,6])(OC[6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]2H)	H(C[6]C[5,6]O[6]O)	107.9200	0.000	1	107.9200	0.000	1	109.0753	1.112	3	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(OC)(H)	O(C[6]C[6,6]O[6]H)(CC3)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(OC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6]O[6]H)(CC3)	H(C[6]C[6,6]O[6]O)	108.2730	0.000	1	108.2730	0.000	1	108.9515	1.191	8	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6])(OC)(H)	O(C[6]C[6,6]O[6]H)(CH3)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6,6])(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]O[6]H)(CH3)	H(C[6]C[6,6]O[6]O)	108.7670	0.000	1	108.7670	0.000	1	108.9515	1.191	8	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[3,6])(OC)(H)	O(C[6]C[6,6]O[6]H)(CH3)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[3,6])(OC)(H){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6,6]O[6]H)(CH3)	H(C[6]C[6,6]O[6]O)	107.1190	0.000	1	107.1190	0.000	1	108.9515	1.191	8	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(OC)(H)	O(C[6]C[6,6]O[6]H)(CH3)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(OC)(H){1|S<4>,2|H<1>,3|C<4>}	O(C[6]C[6,6]O[6]H)(CH3)	H(C[6]C[6,6]O[6]O)	108.8125	0.125	2	108.8125	0.016	2	108.9515	1.191	8	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H)	O(C[6]C[6,6]O[6]H)(CH3)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]O[6]H)(CH3)	H(C[6]C[6,6]O[6]O)	110.9300	0.000	1	109.9427	0.741	3	108.9515	1.191	8	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H)	O(C[6]C[6,6]O[6]H)(CH3)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6]S[6]2)(O[6]C[6])(OC)(H){2|H<1>,5|C<4>}	O(C[6]C[6,6]O[6]H)(CH3)	H(C[6]C[6,6]O[6]O)	109.4490	0.137	2	109.9427	0.741	3	108.9515	1.191	8	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6,6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OC[6])(H)	O(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6,6]O[6]O)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OC[6])(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6,6]O[6]O)	110.6010	0.723	2	110.6010	0.522	2	110.6010	0.522	2	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:N[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H)	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H){3|C<3>}	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	108.4280	0.000	1	108.4280	0.000	1	108.4355	0.000	2	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:N[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H)	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|W<7>}	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	108.4430	0.000	1	108.4430	0.000	1	108.4355	0.000	2	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H)	O(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[3x6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[3x6]C[6,6]3)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	111.3860	0.000	1	111.3860	0.000	1	111.3860	0.000	1	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,5])(H)	O(C[5,5]C[5,5]2O[5])(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5,5]C[5,5]2O[5])(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,6])(H)	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	111.0120	0.000	1	111.0120	0.000	1	111.0120	0.000	1	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H){1|C<4>,4|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	109.9900	0.000	1	109.9900	0.000	1	109.1379	0.432	19	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	109.1940	0.040	2	109.1940	0.002	2	109.1379	0.432	19	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O(C[5]C[5,5,6]C[5]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5,6]C[5]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	110.0140	0.000	1	110.0140	0.000	1	109.1379	0.432	19	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O(C[5]C[5,5]C[5]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	108.6120	0.000	1	108.6120	0.000	1	109.1379	0.432	19	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	107.2820	0.000	1	109.0441	0.451	14	109.1379	0.432	19	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	109.1796	0.458	13	109.0441	0.451	14	109.1379	0.432	19	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[3,6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.5300	0.380	2	108.5300	0.145	2	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[3x6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,3|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	109.4525	1.210	4	109.4525	1.463	4	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(OC)(H){1|C<3>,4|C<4>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	110.1700	0.000	1	110.1700	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	108.3300	0.000	1	108.3300	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]CH)(O[6]C[6,6])(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.5940	0.000	1	108.5940	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HH)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.0050	0.000	1	109.0050	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	108.9730	0.000	1	108.9730	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6]HH)	H(C[6]C[6]O[6]O)	108.8610	0.000	1	108.8610	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.8550	0.058	2	108.8550	0.003	2	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	108.8985	0.211	2	109.3967	0.767	3	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	110.3930	0.000	1	109.3967	0.767	3	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.7830	0.000	1	109.4270	0.918	5	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.5880	1.025	4	109.4270	0.918	5	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	107.8253	0.256	3	107.8253	0.065	3	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	108.1200	0.000	1	108.1200	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	110.5100	0.000	1	110.5100	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	108.7610	0.000	1	108.7610	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	110.2700	0.000	1	109.3185	1.811	2	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(OC)(H){4|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	108.3670	0.000	1	109.3185	1.811	2	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.1395	0.469	2	109.1395	0.220	2	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.8630	0.000	1	108.8630	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.5550	0.097	3	108.5550	0.009	3	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CC)(O[6]C[6])(OC)(H){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.0710	0.000	1	109.0710	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	107.8030	0.000	1	107.8030	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	108.8050	0.000	1	108.8050	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	110.0313	0.225	6	109.8470	0.280	7	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.7410	0.000	1	109.8470	0.280	7	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	108.7730	0.000	1	108.7730	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	108.5570	0.000	1	108.5570	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.2990	0.000	1	108.2990	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	108.3770	0.000	1	108.6705	0.172	2	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	108.9640	0.000	1	108.6705	0.172	2	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){1|H<1>,1|N<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.4990	0.000	1	109.2127	0.765	6	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.3554	0.896	5	109.2127	0.765	6	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]O[6]H)(CCCH)	H(C[6]C[6]O[6]O)	107.7663	0.168	3	109.6148	7.045	5	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CCCH)	H(C[6]C[6]O[6]O)	112.3875	1.580	2	109.6148	7.045	5	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	109.9870	0.000	1	110.1649	1.793	9	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	109.6705	0.114	2	110.1649	1.793	9	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	113.5650	0.000	1	110.1649	1.793	9	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	109.7510	0.000	1	110.1649	1.793	9	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,3|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	108.7730	0.000	1	110.1649	1.793	9	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	109.9340	0.177	2	110.1649	1.793	9	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	110.1990	0.000	1	110.1649	1.793	9	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[5]CH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(CC[5]CH)	H(C[6]C[6]O[6]O)	108.7620	0.000	1	108.7620	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]CH)	H(C[6]C[6]O[6]O)	109.4660	0.000	1	109.4660	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	109.2805	0.917	2	109.2805	0.841	2	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|H<1>,1|N<3>,3|C<4>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.0540	0.000	1	108.8072	0.963	9	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.4887	0.763	6	108.8072	0.963	9	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	110.3270	0.000	1	108.8072	0.963	9	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.9520	0.000	1	108.8072	0.963	9	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[4,6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]N[4,6])(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	110.7430	0.000	1	110.7430	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[5,6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]N[5,6])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	109.9490	0.000	1	109.9490	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]N[6])(OC)(H){1|H<1>,2|C<3>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	109.1670	0.000	1	109.1670	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	108.4220	0.000	1	108.4220	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.7690	0.021	2	108.8263	0.584	21	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.6350	0.000	1	108.8263	0.584	21	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.6709	0.247	8	108.8263	0.584	21	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.3448	0.828	8	108.8263	0.584	21	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6,6])(OC)(H){1|S<4>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	107.5270	0.833	2	108.8263	0.584	21	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|H<1>,1|N<2>,2|C<4>}	O(C[6]C[6]O[6]H)(CCCH)	H(C[6]C[6]O[6]O)	108.5940	0.000	1	108.5940	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	108.5730	0.000	1	108.5730	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHO)	H(C[6]C[6]O[6]O)	110.8370	0.123	2	110.8370	0.015	2	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	108.9070	0.673	2	108.9070	0.453	2	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.5101	0.976	10	109.5101	0.953	10	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[3,6])(OC)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	107.7350	0.000	1	107.7350	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.6800	0.000	1	108.5220	0.045	13	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.5088	0.216	12	108.5220	0.045	13	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC3)	H(C[6]C[6]O[6]O)	110.5820	0.000	1	110.5820	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CCCH)	H(C[6]C[6]O[6]O)	109.0680	0.000	1	110.2194	0.258	8	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCCH)	H(C[6]C[6]O[6]O)	110.4105	0.207	4	110.2194	0.258	8	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCCH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCCH)	H(C[6]C[6]O[6]O)	110.3483	0.280	3	110.2194	0.258	8	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	109.0150	0.000	1	109.5870	0.963	19	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	109.6188	0.999	18	109.5870	0.963	19	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHO)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHO)	H(C[6]C[6]O[6]O)	112.4810	0.000	1	112.4810	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[5]CC)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[5]CC)	H(C[6]C[6]O[6]O)	110.6166	0.213	5	110.6166	0.045	5	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[5]CH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[5]CH)	H(C[6]C[6]O[6]O)	109.4630	0.000	1	109.4630	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[5]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[5]HH)	H(C[6]C[6]O[6]O)	109.8660	0.000	1	109.8660	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CC[6]HH)	H(C[6]C[6]O[6]O)	110.3160	0.000	1	110.0898	0.389	4	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6]HH)	H(C[6]C[6]O[6]O)	110.0143	0.742	3	110.0898	0.389	4	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]CH)	H(C[6]C[6]O[6]O)	110.7290	0.064	2	110.7290	0.004	2	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	109.0045	0.165	2	109.7650	0.529	5	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	110.4365	0.005	2	109.7650	0.529	5	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	109.9430	0.000	1	109.7650	0.529	5	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.0947	0.920	3	109.4926	1.659	64	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	111.3993	1.643	6	109.4926	1.659	64	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	110.4250	0.000	1	109.4926	1.659	64	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.2550	0.000	1	109.4926	1.659	64	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.3650	0.000	1	109.4926	1.659	64	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.2420	1.083	48	109.4926	1.659	64	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|O<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	108.9140	0.000	1	109.4926	1.659	64	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){1|S<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	110.8790	0.238	2	109.4926	1.659	64	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	110.5130	0.000	1	109.4926	1.659	64	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]N[5]H)(O[6]C[6,6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	110.6390	0.000	1	110.6390	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CCHH)	H(C[6]C[6]O[6]O)	110.7650	0.000	1	110.7650	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]HH)	H(C[6]C[6]O[6]O)	110.3830	0.629	2	110.3830	0.396	2	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC)(H){1|S<4>,2|H<1>,4|C<4>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	110.1690	0.365	2	110.1690	0.133	2	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(OC)(H)	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(OC)(H){1|O<1>,4|C<3>}	O(C[6]C[6]O[6]H)(CH3)	H(C[6]C[6]O[6]O)	109.1310	0.000	1	109.1310	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(OC)(H)	O(C[6]C[6]O[6]H)(CC[6a]CH)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(OC)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(CC[6a]CH)	H(C[6]C[6]O[6]O)	108.2020	0.000	1	108.2020	0.000	1	109.3950	1.250	258	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[4]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[4])(H)	O(C[6]C[6]O[6]H)(C[4]C[4]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[5,6]HO)(O[6]C[6])(OC[4])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[4]C[4]2H)	H(C[6]C[6]O[6]O)	110.2537	0.353	3	110.2537	0.124	3	110.2537	0.124	3	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H)	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[5])(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	H(C[6]C[6]O[6]O)	109.6755	0.329	2	109.6755	0.108	2	109.6992	0.600	6	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H)	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[5])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[5]C[5]2H)	H(C[6]C[6]O[6]O)	109.7110	0.982	4	109.7110	0.963	4	109.6992	0.600	6	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H)	O(C[6]C[6]O[6]H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)2	H(C[6]C[6]O[6]O)	109.0030	1.836	2	109.0030	3.370	2	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]CH)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)2	H(C[6]C[6]O[6]O)	109.6563	0.292	3	109.6563	0.085	3	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H)	O(C[6]C[6]O[6]H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[5,6])(OC[6])(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)2	H(C[6]C[6]O[6]O)	108.8092	0.184	5	108.8092	0.034	5	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H)	O(C[6]C[6]O[6]H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)2	H(C[6]C[6]O[6]O)	109.9600	0.153	2	109.9600	0.023	2	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O(C[6]C[6,6a]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	108.0285	0.351	2	108.0285	0.124	2	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2C)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2C)	H(C[6]C[6]O[6]O)	108.6240	0.348	2	108.6240	0.121	2	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	110.1500	0.000	1	109.5850	1.407	4	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	110.1855	0.247	2	109.5850	1.407	4	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	107.8190	0.000	1	109.5850	1.407	4	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HH)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	108.9310	0.000	1	108.9310	0.000	1	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	110.2843	0.693	3	109.4309	1.002	7	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HN)(O[6]C[6])(OC[6])(H){2|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	108.7908	0.640	4	109.4309	1.002	7	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6,6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	109.4357	0.727	3	109.4357	0.529	3	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	110.9505	0.158	2	110.9505	0.025	2	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]O)	110.7375	1.080	2	110.7375	1.166	2	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	109.8680	0.806	3	109.2937	0.672	124	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	108.6320	0.000	1	109.2937	0.672	124	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	110.3295	0.467	4	109.2937	0.672	124	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	109.5537	0.449	12	109.2937	0.672	124	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	109.2137	0.832	104	109.2937	0.672	124	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)2	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)2	H(C[6]C[6]O[6]O)	109.4530	0.923	32	109.4530	0.851	32	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]HO)(O[6]N[6])(OC[6])(H){1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	108.7610	0.000	1	108.7610	0.000	1	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:2:2:1:	4:4:	4:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(OC[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]O[6]O)	110.7520	0.000	1	110.7520	0.000	1	109.3453	0.756	193	109.3618	1.029	520	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(OH)(H)	O(C[6]C[3,6,6]C[6]H)(H)	H(C[6]C[3,6,6]C[6]O)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[3,6,6]C[6]H)(H)	H(C[6]C[3,6,6]C[6]O)	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)(H)	O(C[6]C[3,6]C[6,6]H)(H)	H(C[6]C[3,6]C[6,6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,6]C[6,6]H)(H)	H(C[6]C[3,6]C[6,6]O)	107.3610	9.556	2	107.3610	91.314	2	107.3610	91.314	2	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[3,6]H)(H)	H(C[6]C[6,6a]C[3,6]O)	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<3>,5|C<3>}	O(C[6]C[6,6a]C[3,6]H)(H)	H(C[6]C[6,6a]C[3,6]O)	107.2333	0.166	3	107.2333	0.028	3	107.2333	0.028	3	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[5,6]H)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[5,6]H)(OH)(H){1|C<3>,2|C<4>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	107.4690	0.000	1	107.4690	0.000	1	109.9500	2.859	7	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(OH)(H){1|C<4>,3|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	109.1190	0.000	1	109.1190	0.000	1	109.9500	2.859	7	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]O)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]O)(OH)(H){1|C<3>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	108.2860	0.000	1	108.2860	0.000	1	109.9500	2.859	7	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Br)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	110.7350	0.000	1	110.7350	0.000	1	109.9500	2.859	7	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Cl)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]Cl)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	111.0700	0.000	1	111.0700	0.000	1	109.9500	2.859	7	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	112.1760	0.000	1	111.4855	0.954	2	109.9500	2.859	7	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	110.7950	0.000	1	111.4855	0.954	2	109.9500	2.859	7	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[3x6]H)(H)	H(C[6]C[6,6a]C[3x6]O)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6a]C[3x6]H)(H)	H(C[6]C[6,6a]C[3x6]O)	107.4130	0.000	1	107.4130	0.000	1	107.8177	0.890	6	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[3x6]H)(H)	H(C[6]C[6,6a]C[3x6]O)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[3x6]H)(H)	H(C[6]C[6,6a]C[3x6]O)	108.1838	0.936	4	107.8986	1.063	5	107.8177	0.890	6	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[3x6]H)(H)	H(C[6]C[6,6a]C[3x6]O)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	O(C[6]C[6,6a]C[3x6]H)(H)	H(C[6]C[6,6a]C[3x6]O)	106.7580	0.000	1	107.8986	1.063	5	107.8177	0.890	6	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){1|C<3>,6|C<4>}	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	108.2940	0.000	1	108.2940	0.000	1	109.4833	1.893	3	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OH)(H)	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[5,6,6]O)(OH)(H){2|C<3>,6|C<4>}	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	110.9900	0.000	1	110.9900	0.000	1	109.4833	1.893	3	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]H)(OH)(H)	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	109.1660	0.000	1	109.1660	0.000	1	109.4833	1.893	3	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[4x6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[4x6]H)(H)	H(C[6]C[6,6a]C[4x6]O)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[4x6]H)(H)	H(C[6]C[6,6a]C[4x6]O)	106.5510	0.000	1	106.5510	0.000	1	106.5510	0.000	1	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H)	O(C[6]C[5,5,6,6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]H)(OH)(H){2|H<1>,2|O<2>,6|C<4>}	O(C[6]C[5,5,6,6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]O)	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6]C[3x5,6]C[5,6a]C[5])(C[6]C[6]H)(OH)(H)	O(C[6]C[5,5,6]C[6]H)(H)	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[3x5,6]C[5,6a]C[5])(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	O(C[6]C[5,5,6]C[6]H)(H)	H(C[6]C[5,5,6]C[6]O)	109.0750	0.000	1	109.0750	0.000	1	109.0750	0.000	1	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,5,6]-4:N[5,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H)	O(C[6]C[5,5,6]N[5,6]H)(H)	H(C[6]C[5,5,6]N[5,6]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	O(C[6]C[5,5,6]N[5,6]H)(H)	H(C[6]C[5,5,6]N[5,6]O)	110.3515	0.115	2	110.3515	0.013	2	110.3515	0.013	2	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	106.2770	0.000	1	106.2770	0.000	1	107.3631	2.006	17	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]C)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	107.7000	0.000	1	107.7000	0.000	1	107.3631	2.006	17	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]N[5,6,6]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]N[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.8555	0.071	2	108.8555	0.005	2	107.3631	2.006	17	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.4420	0.233	2	108.4420	0.054	2	107.3631	2.006	17	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	104.7600	0.000	1	104.7600	0.000	1	107.3631	2.006	17	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.0450	0.106	2	107.3678	1.728	9	107.3631	2.006	17	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	105.5630	2.052	2	107.3678	1.728	9	107.3631	2.006	17	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	107.6005	0.257	4	107.3678	1.728	9	107.3631	2.006	17	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.6920	0.000	1	107.3678	1.728	9	107.3631	2.006	17	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]O)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	105.5310	0.000	1	105.5310	0.000	1	107.3631	2.006	17	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	108.0095	0.374	2	108.1120	0.101	3	108.2433	0.137	4	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(OH)(H){2|C<3>,2|O<2>,5|C<4>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	108.3170	0.000	1	108.1120	0.101	3	108.2433	0.137	4	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]O[5,6]C[5]C)(C[5,6]C[5,6]C[5])(OH)(H){3|H<1>,5|C<4>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	108.6370	0.000	1	108.6370	0.000	1	108.2433	0.137	4	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	109.4980	0.000	1	109.4980	0.000	1	108.7978	0.648	10	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(OH)(H){1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	107.4320	0.184	2	107.4320	0.034	2	108.7978	0.648	10	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]O[6])(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	109.3340	0.000	1	109.3340	0.000	1	108.7978	0.648	10	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5]N[6]O[5])(C[6,6]C[6,6]C[6])(OH)(H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	109.0470	0.429	6	109.0470	0.184	6	108.7978	0.648	10	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	107.9367	1.371	3	108.2510	1.551	5	108.3819	3.094	16	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|N<3>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	108.7225	1.306	2	108.2510	1.551	5	108.3819	3.094	16	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	114.0510	0.000	1	114.0510	0.000	1	108.3819	3.094	16	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	108.5490	0.000	1	108.5490	0.000	1	108.3819	3.094	16	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,2|N<3>,6|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	108.7850	0.000	1	108.7850	0.000	1	108.3819	3.094	16	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|O<2>,3|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	106.1740	0.000	1	106.1740	0.000	1	108.3819	3.094	16	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,8|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	108.7290	0.000	1	108.1412	0.162	4	108.3819	3.094	16	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<2>,3|H<1>,6|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	107.9453	0.114	3	108.1412	0.162	4	108.3819	3.094	16	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	107.3835	0.159	2	107.3835	0.025	2	108.3819	3.094	16	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	H(C[6]C[6,6a]C[5,6]O)	107.9640	0.000	1	107.9640	0.000	1	108.3819	3.094	16	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]O[5]H)(C[6]C[6]C)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[3,5,6]O[5]H)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.7690	0.000	1	109.7690	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	106.5795	0.970	14	106.5795	0.942	14	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.0360	0.175	2	109.0360	0.031	2	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.1180	0.000	1	107.1180	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.7770	0.000	1	108.7770	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.8610	0.000	1	107.8610	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.0040	0.000	1	108.0040	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6,6]C)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.9710	0.000	1	108.9710	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	110.2180	0.000	1	110.2180	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	110.0280	0.000	1	110.0280	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.6580	0.000	1	107.6580	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OH)(H){1|N<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.6680	0.000	1	109.6680	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	106.9570	0.000	1	106.9570	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(OH)(H){2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	110.8230	0.000	1	110.8230	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.7617	0.833	6	108.7617	0.693	6	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.2760	0.000	1	108.2760	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	105.8260	0.000	1	105.8260	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.4230	0.089	4	109.4230	0.008	4	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	105.0520	0.000	1	105.0520	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.0940	0.000	1	108.0940	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]O)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]O)(OH)(H){1|B<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.0520	0.000	1	109.0520	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.9756	0.175	7	107.8816	0.097	8	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.2240	0.000	1	107.8816	0.097	8	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(OH)(H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	105.9750	0.000	1	105.9750	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(OH)(H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.0883	0.458	3	108.0883	0.209	3	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OH)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.4210	0.000	1	108.4210	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(OH)(H){3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.6980	0.000	1	107.6980	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.7110	0.000	1	109.6975	0.000	2	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.6840	0.000	1	109.6975	0.000	2	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.6000	0.000	1	108.6000	0.000	1	108.0001	1.873	60	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	108.4510	0.000	1	108.3950	0.006	2	108.3950	0.006	2	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OH)(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	108.3390	0.000	1	108.3950	0.006	2	108.3950	0.006	2	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H)	O(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(OH)(H){1|O<1>,3|C<3>,4|C<4>}	O(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2O)	108.0800	0.000	1	108.0800	0.000	1	108.0800	0.000	1	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6,6]H)(H)	H(C[6]C[6,6a]C[6,6]O)	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[3,6]O)(C[6]O[6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,3x6]C[3,6]O)(C[6]O[6]O)(OH)(H){1|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.6100	0.000	1	108.6100	0.000	1	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]O[6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,3x6]C[6]O)(C[6]O[6]O)(OH)(H){1|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.9270	0.000	1	108.9270	0.000	1	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.0990	0.000	1	109.0990	0.000	1	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.9250	0.000	1	107.9250	0.000	1	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.4720	0.000	1	107.4720	0.000	1	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.3040	0.000	1	107.3040	0.000	1	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(OH)(H){2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0550	0.658	6	108.0550	0.433	6	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]O[6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]O[6]O)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.7620	0.000	1	108.7620	0.000	1	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.7550	0.000	1	107.7550	0.000	1	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.4387	0.601	3	107.4387	0.361	3	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.7930	0.000	1	108.4565	0.880	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.1200	0.000	1	108.4565	0.880	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6,6]O)(OH)(H){8|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.3530	0.000	1	109.3530	0.000	1	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(OH)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.8615	0.706	2	107.8615	0.499	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(OH)(H){7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.1725	1.579	2	108.1725	2.493	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H){1|C<3>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.3260	0.000	1	107.5705	3.098	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OH)(H){1|C<3>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8150	0.000	1	107.5705	3.098	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]O)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0310	0.175	2	108.0310	0.031	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.2290	0.000	1	109.2290	0.000	1	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(OH)(H){3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	110.2580	2.298	2	110.2580	5.281	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(OH)(H){7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.3340	0.000	1	106.3340	0.000	1	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.6830	0.000	1	108.4760	3.938	5	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.8340	2.776	2	108.4760	3.938	5	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.5145	1.371	2	108.4760	3.938	5	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.3670	0.093	2	108.3670	0.009	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.3250	0.042	2	108.3250	0.002	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.4340	0.000	1	107.4340	0.000	1	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.9180	0.000	1	108.0945	0.062	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.2710	0.000	1	108.0945	0.062	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.5970	0.000	1	108.5970	0.000	1	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]C)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.0680	0.000	1	109.0680	0.000	1	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.3995	0.619	2	107.3995	0.383	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.3290	0.000	1	108.6145	1.021	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.9000	0.000	1	108.6145	1.021	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.7275	0.316	2	106.7275	0.100	2	108.1664	1.201	52	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6,6]-4:N[6,6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H)	O(C[6]C[6,6]N[6,6]H)(H)	H(C[6]C[6,6]N[6,6]O)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H){2|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6,6]N[6,6]H)(H)	H(C[6]C[6,6]N[6,6]O)	108.3220	0.000	1	108.3220	0.000	1	108.3220	0.000	1	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4580	0.000	1	108.4580	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5610	0.000	1	108.5610	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	112.5750	0.000	1	112.5750	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6750	0.000	1	107.6750	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.9345	1.804	2	106.9345	3.254	2	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]BrH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]BrH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9140	0.000	1	107.9140	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	104.3475	0.954	2	104.3475	0.910	2	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6210	0.000	1	109.6210	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]C)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1140	0.000	1	108.1140	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]FF)(C[6]C[6]Br)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]FF)(C[6]C[6]Br)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8850	0.100	2	108.8850	0.010	2	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3470	0.000	1	109.3470	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6020	0.000	1	109.6020	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4190	0.000	1	108.4190	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7147	0.648	3	108.7382	0.765	6	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3120	1.329	2	108.7382	0.765	6	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6610	0.000	1	108.7382	0.765	6	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0880	0.144	2	108.9278	0.880	4	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.8890	0.000	1	108.9278	0.880	4	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6460	0.000	1	108.9278	0.880	4	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.7420	0.001	2	107.7420	0.000	2	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6380	0.000	1	108.6380	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.9800	0.000	1	108.1073	0.926	6	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.8370	0.000	1	108.1073	0.926	6	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5660	0.187	3	108.1073	0.926	6	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1290	0.000	1	108.1073	0.926	6	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.9750	0.000	1	107.0275	0.006	2	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.0800	0.000	1	107.0275	0.006	2	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6340	0.000	1	108.2490	0.296	2	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(OH)(H){1|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.8640	0.000	1	108.2490	0.296	2	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(OH)(H){1|C<4>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5930	0.000	1	108.5930	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1530	0.387	2	108.8430	0.688	4	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4620	0.000	1	108.8430	0.688	4	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6040	0.000	1	108.8430	0.688	4	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4400	0.000	1	107.9643	0.583	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OH)(H){4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.7265	0.909	2	107.9643	0.583	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.1850	0.256	2	107.1850	0.066	2	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.9930	0.000	1	106.9930	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6090	0.000	1	108.6090	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.4990	0.000	1	107.4990	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(OH)(H){1|C<4>,4|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7390	0.000	1	108.7390	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6470	0.000	1	108.6470	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7300	0.000	1	108.7300	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	105.4540	0.000	1	105.4540	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3560	0.000	1	109.0345	0.938	4	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.8660	0.030	2	109.0345	0.938	4	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0500	0.000	1	109.0345	0.938	4	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8060	0.000	1	107.1867	7.161	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6560	0.000	1	107.1867	7.161	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	104.0980	0.000	1	107.1867	7.161	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.7420	0.000	1	107.7420	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5876	0.277	5	108.5876	0.077	5	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.9480	0.000	1	109.9480	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6310	0.000	1	108.6440	0.186	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0820	0.000	1	108.6440	0.186	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2190	0.000	1	108.6440	0.186	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.9040	0.000	1	106.9040	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1650	0.000	1	109.1650	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.1420	0.000	1	107.1420	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.8009	0.983	7	107.8335	0.826	18	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.6060	0.000	1	107.8335	0.826	18	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2040	0.000	1	107.8335	0.826	18	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1750	0.000	1	107.8335	0.826	18	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0340	0.000	1	107.8335	0.826	18	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0950	0.854	2	107.8335	0.826	18	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6673	1.179	3	107.8335	0.826	18	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0930	1.605	2	107.8335	0.826	18	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5703	0.213	3	108.1492	0.595	6	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.7980	0.000	1	108.1492	0.595	6	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7050	0.000	1	108.1492	0.595	6	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6810	0.000	1	108.1492	0.595	6	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6190	0.031	2	108.6765	0.248	10	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0825	0.076	2	108.6765	0.248	10	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2483	0.179	3	108.6765	0.248	10	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6020	0.000	1	108.6765	0.248	10	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5075	0.603	2	108.6765	0.248	10	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1180	0.000	1	107.5650	0.393	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.8840	0.000	1	107.5650	0.393	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6930	0.000	1	107.5650	0.393	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]2)(OH)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.0520	0.000	1	110.0520	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6130	0.000	1	108.3339	1.919	16	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6670	0.000	1	108.3339	1.919	16	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5010	0.378	2	108.3339	1.919	16	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3215	1.002	2	108.3339	1.919	16	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6250	0.000	1	108.3339	1.919	16	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3786	1.915	7	108.3339	1.919	16	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|Cl<1>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.7290	0.000	1	108.3339	1.919	16	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4140	0.000	1	108.3339	1.919	16	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]Cl)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8125	0.062	2	108.8125	0.004	2	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8770	0.479	2	108.5739	3.774	14	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3695	1.046	2	108.5739	3.774	14	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0235	5.351	2	108.5739	3.774	14	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.1340	0.000	1	108.5739	3.774	14	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>,1|S<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.9770	1.939	2	108.5739	3.774	14	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.2140	0.000	1	108.5739	3.774	14	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9820	0.362	2	108.5739	3.774	14	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6540	0.000	1	108.5739	3.774	14	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.5750	0.000	1	108.5739	3.774	14	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8110	0.000	1	108.2097	2.279	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]I)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9090	2.004	2	108.2097	2.279	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7390	0.000	1	109.8267	2.268	7	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.0080	1.564	6	109.8267	2.268	7	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]S)(OH)(H){1|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0285	0.356	2	108.0285	0.127	2	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H){1|C<4>,4|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0650	0.000	1	108.9333	0.056	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8675	0.293	2	108.9333	0.056	3	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1560	0.000	1	108.1560	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.4440	0.000	1	110.4440	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(OH)(H){4|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6634	0.530	7	108.6634	0.281	7	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.5385	0.303	2	107.5385	0.092	2	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]C)(OH)(H){1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5050	0.000	1	108.5050	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<3>,1|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.3910	1.962	2	108.7833	4.763	4	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.1755	0.322	2	108.7833	4.763	4	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]N)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1110	0.000	1	109.1110	0.000	1	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]HH)(C[6]C[6]H)(OH)(H){1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.2575	0.252	2	107.2575	0.064	2	108.3595	1.695	180	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	108.5710	0.000	1	108.5710	0.000	1	109.5200	2.382	10	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H){1|O<1>,4|C<3>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	108.6110	0.000	1	108.6110	0.000	1	109.5200	2.382	10	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	107.6620	0.000	1	107.6620	0.000	1	109.5200	2.382	10	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H){1|N<3>,2|O<1>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	108.8800	0.000	1	108.8800	0.000	1	109.5200	2.382	10	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H){1|N<3>,2|O<1>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	110.0280	0.000	1	110.0280	0.000	1	109.5200	2.382	10	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	111.5560	0.000	1	111.5560	0.000	1	109.5200	2.382	10	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	107.4330	0.000	1	107.4330	0.000	1	109.5200	2.382	10	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	111.3640	0.000	1	111.3640	0.000	1	109.5200	2.382	10	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	109.6590	0.000	1	109.6590	0.000	1	109.5200	2.382	10	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H)	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6]N[6]H)(H)	H(C[6]C[6]N[6]O)	111.4360	0.000	1	111.4360	0.000	1	109.5200	2.382	10	108.2966	2.052	381	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:2:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OO)(H)	O(C[6]C[6]2H)(OH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(OO)(H){1|C<3>,3|C<4>}	O(C[6]C[6]2H)(OH)	H(C[6]C[6]2O)	106.1860	0.000	1	106.1860	0.000	1	106.1860	0.000	1	107.1113	0.649	3	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:2:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:O-2:	C[6]-4:	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H)	O(C[6]C[6]N[6]H)(OH)	H(C[6]C[6]N[6]O)	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]N[6]H)(OH)	H(C[6]C[6]N[6]O)	107.5740	0.113	2	107.5740	0.013	2	107.5740	0.013	2	107.1113	0.649	3	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H)	O(C[6]C[6]2H)(NCH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(ON)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(NCH)	H(C[6]C[6]2O)	109.9925	0.149	2	109.9925	0.022	2	109.9925	0.022	2	109.9925	0.022	2	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[3x6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[5,6]N[6])(C[6]O[6]O)(OC)(H)	O(C[6]C[3x6]C[6]H)(CHHO)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]C[5,6]N[6])(C[6]O[6]O)(OC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[3x6]C[6]H)(CHHO)	H(C[6]C[3x6]C[6]O)	109.2540	0.000	1	109.2540	0.000	1	109.2540	0.000	1	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(OSi)(H)	O(C[6]C[5,5,6,6]C[6]H)(SiC3)	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]H)(OSi)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,5,6,6]C[6]H)(SiC3)	H(C[6]C[5,5,6,6]C[6]O)	108.7136	0.246	8	108.7136	0.060	8	108.7136	0.060	8	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	O(C[6]C[5,6,6]C[6,6a]H)(CCHH)	H(C[6]C[5,6,6]C[6,6a]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){4|C<3>,4|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6,6a]H)(CCHH)	H(C[6]C[5,6,6]C[6,6a]O)	107.6655	0.210	2	107.6655	0.044	2	107.6655	0.044	2	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6,6a]O)(OC)(H)	O(C[6]C[5,6,6]C[6]H)(CH3)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6,6a]O)(OC)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(CH3)	H(C[6]C[5,6,6]C[6]O)	107.7053	0.254	3	107.7053	0.065	3	107.7053	0.065	3	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	O(C[6]C[6,6a]C[5,6]H)(SiC3)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6]H)(SiC3)	H(C[6]C[6,6a]C[5,6]O)	107.8720	0.000	1	107.8720	0.000	1	108.4920	0.769	2	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	O(C[6]C[6,6a]C[5,6]H)(SiC3)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H){2|H<1>,3|C<4>,4|C<3>}	O(C[6]C[6,6a]C[5,6]H)(SiC3)	H(C[6]C[6,6a]C[5,6]O)	109.1120	0.000	1	109.1120	0.000	1	108.4920	0.769	2	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6,6]O[5]O)(C[6]C[6]O)(OC)(H){1|N<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	109.3140	0.000	1	109.3140	0.000	1	108.4195	1.167	8	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(OC)(H){2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	107.7930	0.000	1	107.7930	0.000	1	108.4195	1.167	8	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCHH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(CCHH)	H(C[6]C[5,6]C[6]O)	110.0260	0.000	1	110.0260	0.000	1	108.4195	1.167	8	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	108.6070	0.000	1	108.6070	0.000	1	108.4195	1.167	8	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	109.2150	0.000	1	107.7833	1.562	3	108.4195	1.167	8	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	107.0675	0.221	2	107.7833	1.562	3	108.4195	1.167	8	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	108.2660	0.000	1	108.2660	0.000	1	108.4195	1.167	8	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	108.5360	0.000	1	108.6830	0.043	2	109.1957	0.810	3	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(OSi)(H){1|H<1>,1|O<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	108.8300	0.000	1	108.6830	0.043	2	109.1957	0.810	3	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[5,6]-4:C[6]-3:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	110.2210	0.000	1	110.2210	0.000	1	109.1957	0.810	3	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[5,6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H)	O(C[6]C[5,6]C[6,6]H)(CH3)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(OC)(H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	O(C[6]C[5,6]C[6,6]H)(CH3)	H(C[6]C[5,6]C[6,6]O)	109.4750	0.000	1	109.4750	0.000	1	109.4750	0.000	1	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OC)(H)	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(OC)(H){7|C<4>}	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	105.1860	0.792	2	105.1860	0.627	2	106.8400	3.860	4	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OC)(H)	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	108.5620	0.000	1	108.5620	0.000	1	106.8400	3.860	4	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H)	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(OC)(H){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	108.4260	0.000	1	108.4260	0.000	1	106.8400	3.860	4	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(OC)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.4580	0.000	1	108.4580	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.3130	0.100	3	109.3130	0.010	3	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.2590	0.000	1	108.2590	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.5980	0.000	1	108.9382	0.280	5	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.8277	0.519	3	108.9382	0.280	5	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,1|N<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.6100	0.000	1	108.9382	0.280	5	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	111.5665	1.081	2	110.4020	4.653	3	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.0730	0.000	1	110.4020	4.653	3	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	110.0600	0.000	1	110.0600	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.4900	0.000	1	109.4900	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.8770	0.000	1	108.8770	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|C<4>,2|C<3>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.9290	0.000	1	109.2715	0.235	2	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(OC)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.6140	0.000	1	109.2715	0.235	2	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]I)(OC)(H){1|C<4>,2|C<3>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.9350	0.000	1	109.9350	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]OO)(C[6]C[6]C)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]OO)(C[6]C[6]C)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.3760	0.000	1	109.3760	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]2H)(C[6]C[6]H)(OC)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.0380	0.000	1	108.0380	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CC[6a]CH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]CH)	H(C[6]C[6]2O)	108.3988	1.330	4	108.3988	1.769	4	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.9460	0.000	1	108.9460	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	113.3210	0.000	1	113.3210	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.6265	0.397	2	109.6265	0.157	2	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]I)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]I)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.9390	0.000	1	109.9390	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	109.7040	0.000	1	109.7040	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OC)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.1860	0.000	1	109.1860	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.7490	0.000	1	108.7490	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.5800	0.000	1	109.7220	0.040	2	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]C)(OC)(H){1|C<4>,1|S<4>,2|C<3>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.8640	0.000	1	109.7220	0.040	2	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]S)(OC)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.8510	0.000	1	108.8510	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]Br)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.8773	0.584	4	109.8773	0.341	4	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	109.3220	0.289	4	109.2278	0.107	5	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|N<3>}	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	108.8510	0.000	1	109.2278	0.107	5	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.4900	0.000	1	108.5470	0.020	3	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.5755	0.189	2	108.5470	0.020	3	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.3795	1.388	2	108.3795	1.927	2	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC)(H){1|Br<1>,1|C<4>,1|H<1>,1|I<1>}	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	108.8745	0.297	4	108.8745	0.088	4	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]C)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.3470	0.000	1	108.3470	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(OC)(H){2|C<4>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.4010	0.000	1	109.4010	0.000	1	109.2349	1.020	56	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(OC[6])(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.7015	0.370	2	109.7015	0.137	2	109.8638	1.381	6	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(OC[6])(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	112.0290	0.000	1	112.0290	0.000	1	109.8638	1.381	6	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	108.7900	0.000	1	108.7900	0.000	1	109.8638	1.381	6	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OC[6])(H){1|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.9420	0.000	1	108.9420	0.000	1	109.8638	1.381	6	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]H)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	110.0190	0.000	1	110.0190	0.000	1	109.8638	1.381	6	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OS)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	109.3490	0.040	2	109.3490	0.002	2	109.3490	0.002	2	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(OSi)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.9320	0.000	1	108.9320	0.000	1	108.8778	0.246	5	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.4880	0.000	1	108.4880	0.000	1	108.8778	0.246	5	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.6870	0.000	1	109.6870	0.000	1	108.8778	0.246	5	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H)	O(C[6]C[6]2H)(SiC[6a]2C)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OSi)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC[6a]2C)	H(C[6]C[6]2O)	108.8190	0.000	1	108.8190	0.000	1	108.8778	0.246	5	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.4630	0.000	1	108.4630	0.000	1	108.8778	0.246	5	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H)	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,2|C<4>,2|S<2>}	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	109.0850	0.000	1	109.0850	0.000	1	109.2584	0.374	18	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H)	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H){1|O<1>,4|C<3>}	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	109.1230	0.000	1	109.1230	0.000	1	109.2584	0.374	18	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H)	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	109.6000	0.054	2	109.6000	0.003	2	109.2584	0.374	18	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	109.9960	0.000	1	110.4730	0.455	2	109.2584	0.374	18	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,3|C<3>}	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	110.9500	0.000	1	110.4730	0.455	2	109.2584	0.374	18	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H)	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]O)	109.9290	0.000	1	109.9290	0.000	1	109.2584	0.374	18	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H)	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	108.7125	0.310	2	108.7125	0.096	2	109.2584	0.374	18	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	108.9302	0.278	5	108.9302	0.077	5	109.2584	0.374	18	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H)	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]O)	109.0730	0.424	4	109.0730	0.180	4	109.2584	0.374	18	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:3:2:1:	4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H)	O(C[6]C[6]N[6]H)(SiC3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]N[6]H)(SiC3)	H(C[6]C[6]N[6]O)	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	109.0071	1.125	120	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H)	O(C[6]C[3,5,6]C[5,6]H)(H)	H(C[6]C[3,5,6]C[5,6]O)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,2|O<2>,6|C<4>}	O(C[6]C[3,5,6]C[5,6]H)(H)	H(C[6]C[3,5,6]C[5,6]O)	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[3,5,6]C[6]H)(H)	H(C[6]C[3,5,6]C[6]O)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[3,5,6]C[6]H)(H)	H(C[6]C[3,5,6]C[6]O)	108.7035	0.185	4	108.7526	0.038	5	108.7526	0.038	5	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[3,5,6]C[6]H)(H)	H(C[6]C[3,5,6]C[6]O)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[3,5,6]C[6]H)(H)	H(C[6]C[3,5,6]C[6]O)	108.9490	0.000	1	108.7526	0.038	5	108.7526	0.038	5	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H)	O(C[6]C[3,6,6]C[6,6]H)(H)	H(C[6]C[3,6,6]C[6,6]O)	C[6](C[3,6,6]C[3,5,6]C[6,6]O[3])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[6]C[3,6,6]C[6,6]H)(H)	H(C[6]C[3,6,6]C[6,6]O)	109.7020	0.000	1	109.7020	0.000	1	109.7020	0.000	1	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[3,6,6]C[6]H)(H)	H(C[6]C[3,6,6]C[6]O)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(OH)(H){1|C<3>,2|H<1>,5|C<4>}	O(C[6]C[3,6,6]C[6]H)(H)	H(C[6]C[3,6,6]C[6]O)	107.6620	0.000	1	107.6620	0.000	1	108.0935	0.372	2	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H)	O(C[6]C[3,6,6]C[6]H)(H)	H(C[6]C[3,6,6]C[6]O)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(OH)(H){2|H<1>,5|C<4>}	O(C[6]C[3,6,6]C[6]H)(H)	H(C[6]C[3,6,6]C[6]O)	108.5250	0.000	1	108.5250	0.000	1	108.0935	0.372	2	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[3,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(OH)(H)	O(C[6]C[3,6]2H)(H)	H(C[6]C[3,6]2O)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(OH)(H){1|H<1>,2|C<4>}	O(C[6]C[3,6]2H)(H)	H(C[6]C[3,6]2O)	108.1180	0.000	1	108.1180	0.000	1	109.0105	1.593	2	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[3,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	O(C[6]C[3,6]2H)(H)	H(C[6]C[3,6]2O)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|H<1>,2|C<4>}	O(C[6]C[3,6]2H)(H)	H(C[6]C[3,6]2O)	109.9030	0.000	1	109.9030	0.000	1	109.0105	1.593	2	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	O(C[6]C[3,6]C[5,6]H)(H)	H(C[6]C[3,6]C[5,6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[3,6]C[5,6]H)(H)	H(C[6]C[3,6]C[5,6]O)	109.4146	2.528	5	109.4146	6.390	5	108.8789	4.437	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	O(C[6]C[3,6]C[5,6]H)(H)	H(C[6]C[3,6]C[5,6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,2|C<4>}	O(C[6]C[3,6]C[5,6]H)(H)	H(C[6]C[3,6]C[5,6]O)	108.2246	1.929	5	108.2246	3.722	5	108.8789	4.437	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H)	O(C[6]C[3,6]C[5,6]H)(H)	H(C[6]C[3,6]C[5,6]O)	C[6](C[3,6]C[6,6]C[3]O[3])(C[5,6]C[5,6,6]O[5]O)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[3,6]C[5,6]H)(H)	H(C[6]C[3,6]C[5,6]O)	109.4720	0.000	1	109.4720	0.000	1	108.8789	4.437	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OH)(H)	O(C[6]C[3,6]C[6,6]H)(H)	H(C[6]C[3,6]C[6,6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]O[6]C)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[3,6]C[6,6]H)(H)	H(C[6]C[3,6]C[6,6]O)	109.1500	0.000	1	109.1500	0.000	1	108.7525	0.316	2	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]O)(OH)(H)	O(C[6]C[3,6]C[6,6]H)(H)	H(C[6]C[3,6]C[6,6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[3,6]C[6,6]H)(H)	H(C[6]C[3,6]C[6,6]O)	108.3550	0.000	1	108.3550	0.000	1	108.7525	0.316	2	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	109.4350	0.000	1	109.4350	0.000	1	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(OH)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	108.8860	0.000	1	108.8860	0.000	1	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	107.7830	0.000	1	107.7830	0.000	1	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	107.9260	0.000	1	107.9260	0.000	1	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	107.3295	0.880	2	107.3295	0.775	2	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	107.1195	0.379	4	107.6833	1.375	6	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	108.8110	1.622	2	107.6833	1.375	6	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	107.3950	1.027	2	107.3950	1.054	2	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	107.3810	0.000	1	107.3810	0.000	1	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	107.3600	0.000	1	107.3600	0.000	1	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]BrH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	110.7405	4.472	2	110.7405	20.003	2	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<2>,2|C<4>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	108.9890	0.000	1	107.6517	3.014	4	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	107.4170	0.000	1	107.6517	3.014	4	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(OH)(H){1|C<4>,3|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	107.1005	2.568	2	107.6517	3.014	4	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	107.0290	0.000	1	107.0290	0.000	1	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]N[5]H)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]N[5]H)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	110.9760	0.000	1	110.9760	0.000	1	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	109.1930	0.151	2	109.1930	0.023	2	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	108.7320	0.000	1	108.7320	0.000	1	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	109.2010	0.000	1	110.3263	7.457	3	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	108.3380	0.000	1	110.3263	7.457	3	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,4|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	113.4400	0.000	1	110.3263	7.457	3	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){2|C<4>,5|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	108.3545	0.373	2	108.8520	0.812	3	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H)	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	O(C[6]C[3,6]C[6]H)(H)	H(C[6]C[3,6]C[6]O)	109.8470	0.000	1	108.8520	0.812	3	108.4565	3.139	33	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6]H)(OH)(H)	O(C[6]C[3x6]C[6,6]H)(H)	H(C[6]C[3x6]C[6,6]O)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C[6]H)(OH)(H){3|C<3>,3|C<4>,3|H<1>,3|O<2>}	O(C[6]C[3x6]C[6,6]H)(H)	H(C[6]C[3x6]C[6,6]O)	106.0240	0.000	1	106.0240	0.000	1	106.0240	0.000	1	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3,6]C[3x6]C[6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|H<1>,5|C<4>}	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	109.4490	0.000	1	109.4490	0.000	1	108.3997	1.395	7	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H)	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(OH)(H){2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	107.2530	0.740	2	107.2530	0.547	2	108.3997	1.395	7	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	108.5400	0.000	1	108.5400	0.000	1	108.3997	1.395	7	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	108.0140	0.506	2	108.0140	0.256	2	108.3997	1.395	7	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H)	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|O<1>,3|C<3>}	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	110.2750	0.000	1	110.2750	0.000	1	108.3997	1.395	7	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[4,6,6]C[6]H)(H)	H(C[6]C[4,6,6]C[6]O)	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(OH)(H){1|O<1>,4|C<4>,4|H<1>}	O(C[6]C[4,6,6]C[6]H)(H)	H(C[6]C[4,6,6]C[6]O)	109.0510	0.000	1	109.0510	0.000	1	109.0510	0.000	1	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H)	O(C[6]C[4,6]C[5,6]H)(H)	H(C[6]C[4,6]C[5,6]O)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]O)(OH)(H){1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[4,6]C[5,6]H)(H)	H(C[6]C[4,6]C[5,6]O)	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H)	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(OH)(H){3|C<4>,4|H<1>}	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	108.9850	0.000	1	108.9850	0.000	1	108.3935	2.962	12	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,4|C<4>}	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	109.1090	0.000	1	109.1090	0.000	1	108.3935	2.962	12	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	108.2550	0.000	1	108.2550	0.000	1	108.3935	2.962	12	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	110.7970	0.000	1	108.7260	7.271	3	108.3935	2.962	12	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	107.6905	2.848	2	108.7260	7.271	3	108.3935	2.962	12	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	107.7135	1.696	2	107.7135	2.878	2	108.3935	2.962	12	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	107.6343	2.137	3	107.6343	4.566	3	108.3935	2.962	12	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H)	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]N[4]C)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[4,6]C[6]H)(H)	H(C[6]C[4,6]C[6]O)	109.8650	0.000	1	109.8650	0.000	1	108.3935	2.962	12	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6]C[5,6,6a]C[5]H)(OH)(H)	O(C[6]C[4x6]C[5,6]H)(H)	H(C[6]C[4x6]C[5,6]O)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6]C[5,6,6a]C[5]H)(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>,4|C<4>}	O(C[6]C[4x6]C[5,6]H)(H)	H(C[6]C[4x6]C[5,6]O)	109.6150	0.000	1	109.6150	0.000	1	109.6150	0.000	1	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[4x6]C[6]H)(H)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[4x6]C[6]H)(H)	H(C[6]C[4x6]C[6]O)	107.8161	0.890	10	107.7107	0.834	11	107.5730	0.842	13	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[4x6]C[6]H)(H)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(OH)(H){2|O<2>,4|C<4>,5|H<1>}	O(C[6]C[4x6]C[6]H)(H)	H(C[6]C[4x6]C[6]O)	106.6570	0.000	1	107.7107	0.834	11	107.5730	0.842	13	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6,6]HH)(OH)(H)	O(C[6]C[4x6]C[6]H)(H)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,7|C<4>}	O(C[6]C[4x6]C[6]H)(H)	H(C[6]C[4x6]C[6]O)	107.2640	0.000	1	107.2640	0.000	1	107.5730	0.842	13	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[4x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[4x6]C[6]H)(H)	H(C[6]C[4x6]C[6]O)	C[6](C[4x6]C[4x6]C[6,6]O[6,6])(C[6]C[5,6]HH)(OH)(H){1|C<3>,7|C<4>}	O(C[6]C[4x6]C[6]H)(H)	H(C[6]C[4x6]C[6]O)	106.3670	0.000	1	106.3670	0.000	1	107.5730	0.842	13	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,3x6]C[6]H)(H)	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	O(C[6]C[5,3x6]C[6]H)(H)	H(C[6]C[5,3x6]C[6]O)	107.4470	1.297	2	107.4470	1.682	2	106.8374	1.024	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H)	O(C[6]C[5,3x6]C[6]H)(H)	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]CH)(OH)(H){1|O<1>,3|C<4>,3|H<1>,3|O<2>}	O(C[6]C[5,3x6]C[6]H)(H)	H(C[6]C[5,3x6]C[6]O)	106.0775	0.775	4	106.0775	0.600	4	106.8374	1.024	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,3x6]C[6]H)(H)	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,3x6]C[5,6]C[6,6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,3x6]C[6]H)(H)	H(C[6]C[5,3x6]C[6]O)	106.8845	0.428	2	106.8845	0.183	2	106.8374	1.024	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,3x6]C[6]H)(H)	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	O(C[6]C[5,3x6]C[6]H)(H)	H(C[6]C[5,3x6]C[6]O)	107.4127	1.124	3	107.4127	1.264	3	106.8374	1.024	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,5,3x6]C[6]H)(H)	H(C[6]C[5,5,3x6]C[6]O)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OH)(H){1|N<3>,5|C<4>,5|H<1>}	O(C[6]C[5,5,3x6]C[6]H)(H)	H(C[6]C[5,5,3x6]C[6]O)	108.5390	0.000	1	108.5390	0.000	1	108.5390	0.000	1	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H)	O(C[6]C[5,5,6,6]C[5,6]H)(H)	H(C[6]C[5,5,6,6]C[5,6]O)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	O(C[6]C[5,5,6,6]C[5,6]H)(H)	H(C[6]C[5,5,6,6]C[5,6]O)	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H)	O(C[6]C[5,5,6,6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]CH)(OH)(H){2|H<1>,2|O<2>,5|C<4>}	O(C[6]C[5,5,6,6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]O)	108.2365	1.473	2	108.2365	2.169	2	108.6874	1.343	7	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,5,6,6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6,6]HH)(OH)(H){1|N<4>,4|H<1>,6|C<4>}	O(C[6]C[5,5,6,6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]O)	107.2230	0.000	1	107.2230	0.000	1	108.6874	1.343	7	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,5,6,6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,5,6,6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]O)	108.5350	0.000	1	108.5350	0.000	1	108.6874	1.343	7	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,5,6,6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[5,5,6,6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]O)	109.0935	0.265	2	109.0935	0.070	2	108.6874	1.343	7	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,5,6,6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,5,6,6]C[6]H)(H)	H(C[6]C[5,5,6,6]C[6]O)	110.3940	0.000	1	110.3940	0.000	1	108.6874	1.343	7	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H)	O(C[6]C[5,5,6]C[5,6]H)(H)	H(C[6]C[5,5,6]C[5,6]O)	C[6](C[5,5,6]C[4,5,6]C[5,5]O[5])(C[5,6]C[5,6]C[5]H)(OH)(H){1|O<2>,5|H<1>,6|C<4>}	O(C[6]C[5,5,6]C[5,6]H)(H)	H(C[6]C[5,5,6]C[5,6]O)	108.9810	0.000	1	108.9810	0.000	1	108.9810	0.000	1	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,5,6]C[6]H)(H)	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	O(C[6]C[5,5,6]C[6]H)(H)	H(C[6]C[5,5,6]C[6]O)	107.5130	0.000	1	107.5130	0.000	1	107.8870	0.181	3	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,5,6]C[6]H)(H)	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,5|C<4>,5|H<1>}	O(C[6]C[5,5,6]C[6]H)(H)	H(C[6]C[5,5,6]C[6]O)	108.0740	0.389	2	108.0740	0.151	2	107.8870	0.181	3	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H)	O(C[6]C[5,6,6]C[5,6]H)(H)	H(C[6]C[5,6,6]C[5,6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5,6,6]C[5,6]H)(H)	H(C[6]C[5,6,6]C[5,6]O)	110.1130	0.000	1	110.1130	0.000	1	107.5883	2.644	8	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	O(C[6]C[5,6,6]C[5,6]H)(H)	H(C[6]C[5,6,6]C[5,6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5,6,6]C[5,6]H)(H)	H(C[6]C[5,6,6]C[5,6]O)	107.2508	1.496	6	107.2508	2.240	6	107.5883	2.644	8	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H)	O(C[6]C[5,6,6]C[5,6]H)(H)	H(C[6]C[5,6,6]C[5,6]O)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OH)(H){3|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[5,6]H)(H)	H(C[6]C[5,6,6]C[5,6]O)	107.0880	0.000	1	107.0880	0.000	1	107.5883	2.644	8	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]HI)(OH)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.9800	0.000	1	108.9800	0.000	1	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){2|H<1>,6|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.9315	0.585	2	108.9315	0.342	2	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	109.2015	0.448	2	109.2015	0.200	2	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]O[6]HH)(OH)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	110.0765	0.049	2	110.0765	0.002	2	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){3|H<1>,6|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.7045	1.014	4	108.7045	1.028	4	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[5,5]O[6])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.6550	0.000	1	108.6550	0.000	1	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.9640	0.000	2	108.9640	0.000	2	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	109.1450	0.000	1	109.1450	0.000	1	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]CO)(OH)(H){2|C<3>,4|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	107.5650	0.127	2	107.5650	0.016	2	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,5|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.6240	0.083	2	108.6240	0.007	2	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	109.4200	0.000	1	109.4200	0.000	1	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.4520	0.000	1	108.4520	0.000	1	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	107.8013	0.558	3	108.0288	0.255	5	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.4460	0.000	1	108.0288	0.255	5	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(OH)(H){5|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.2940	0.000	1	108.0288	0.255	5	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	107.6340	0.000	1	107.0577	0.328	3	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	106.4890	0.000	1	107.0577	0.328	3	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	107.0500	0.000	1	107.0577	0.328	3	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	106.6850	0.000	1	106.6850	0.000	1	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HO)(OH)(H){1|C<2>,1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.7540	0.000	1	108.7540	0.000	1	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.2570	0.000	1	108.2570	0.000	1	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	109.5440	0.000	1	109.5440	0.000	1	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.4290	0.000	1	108.4290	0.000	1	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	O(C[6]C[5,6,6]C[6]H)(H)	H(C[6]C[5,6,6]C[6]O)	108.5160	0.245	2	108.5160	0.060	2	108.5059	0.785	36	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[3,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[3,6]C[3,6]O[3]H)(OH)(H)	O(C[6]C[3,6]C[5,6]H)(H)	H(C[6]C[3,6]C[5,6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[3,6]C[3,6]O[3]H)(OH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,6]C[5,6]H)(H)	H(C[6]C[3,6]C[5,6]O)	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	106.5280	0.000	1	106.5280	0.000	1	107.4531	3.203	27	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[4,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,5|C<4>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	107.0910	3.579	2	107.0910	12.812	2	107.4531	3.203	27	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	106.1130	0.000	1	106.3150	0.195	6	107.4531	3.203	27	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,5]C[5,6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	106.3554	0.482	5	106.3150	0.195	6	107.4531	3.203	27	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	108.7430	0.000	1	108.7430	0.000	1	107.4531	3.203	27	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(OH)(H){4|H<1>,5|C<4>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	106.7210	2.192	3	106.7210	4.804	3	107.4531	3.203	27	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]C[5]O)(C[5,6]O[5,6]C[5]C)(OH)(H){1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	108.0130	0.000	1	108.0130	0.000	1	107.4531	3.203	27	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5]2O[6])(OH)(H){2|O<2>,4|H<1>,5|C<4>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	107.4353	0.942	3	107.4353	0.886	3	107.4531	3.203	27	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	108.8085	0.654	2	108.8085	0.428	2	107.4531	3.203	27	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	110.0610	0.000	1	110.0610	0.000	1	107.4531	3.203	27	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]C)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	105.3310	0.000	1	105.3310	0.000	1	107.4531	3.203	27	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]O[5]H)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	110.1380	0.000	1	110.1380	0.000	1	107.4531	3.203	27	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	109.9875	0.026	2	108.0526	5.305	5	107.4531	3.203	27	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H)	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]O[5]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]2H)(H)	H(C[6]C[5,6]2O)	106.7627	2.091	3	108.0526	5.305	5	107.4531	3.203	27	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[3,5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	109.1200	0.000	1	109.1200	0.000	1	109.1286	0.829	5	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	109.6840	0.000	1	109.6840	0.000	1	109.1286	0.829	5	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]N[6,6]C[6]H)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	110.1110	0.000	1	110.1110	0.000	1	109.1286	0.829	5	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	109.0240	0.000	1	109.0240	0.000	1	109.1286	0.829	5	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]O[5]2)(C[6,6]C[6]2O[6])(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[6,6a]O[5]2)(C[6,6]C[6]2O[6])(OH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	107.7040	0.000	1	107.7040	0.000	1	109.1286	0.829	5	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[4x5,6,6]O[5]C)(C[6]C[5,6,6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.0170	0.000	1	109.0170	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.1890	0.366	2	107.1890	0.134	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.2480	0.000	1	108.2480	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.0395	0.541	4	108.0395	0.293	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.9893	0.963	3	107.9893	0.926	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.5400	0.000	1	108.5466	0.418	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.3540	0.000	1	108.5466	0.418	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.8000	0.396	3	108.5466	0.418	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.7660	0.362	2	108.5466	0.418	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.1910	0.000	1	108.1910	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]N[5,6]H)(C[6]C[6,6]HO)(OH)(H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	110.5500	0.597	2	110.5500	0.356	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6,6]HO)(OH)(H){2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	106.9755	3.232	2	106.9755	10.447	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	110.7180	1.034	2	110.7180	1.069	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2C)(C[6]C[3,6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.8900	0.000	1	107.8900	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.5980	0.000	1	109.5980	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.0947	0.693	3	109.0947	0.481	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	106.9750	0.000	1	108.5226	1.386	129	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.6645	0.139	2	108.5226	1.386	129	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.8860	0.284	2	108.5226	1.386	129	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.3690	0.000	1	108.5226	1.386	129	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.6180	0.000	1	108.5226	1.386	129	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.5060	0.380	2	108.5226	1.386	129	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.5390	0.000	1	108.5226	1.386	129	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.1840	0.000	1	108.5226	1.386	129	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	103.4000	0.000	1	108.5226	1.386	129	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.5745	1.129	117	108.5226	1.386	129	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.7060	0.168	2	108.7060	0.028	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.1630	0.000	1	108.1630	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(OH)(H){2|C<3>,3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	106.0795	0.950	2	106.0795	0.902	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.4525	0.572	2	109.4525	0.327	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]HH)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.4590	0.000	1	109.4590	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	110.2975	0.650	2	110.2975	0.422	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(OH)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.7857	0.410	3	109.7857	0.169	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.9535	0.351	17	108.9535	0.123	17	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|O<2>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.7137	0.462	3	108.7137	0.214	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.5150	0.000	1	108.5793	0.673	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.6435	0.042	2	108.5793	0.673	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.5150	0.000	1	108.5793	0.673	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.8380	0.000	1	109.1617	0.779	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.6030	0.000	3	109.1617	0.779	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,5,6]HH)(OH)(H){1|O<1>,1|O<2>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.7020	0.000	1	108.7020	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.7915	0.807	2	108.7915	0.651	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.1180	0.000	1	109.1180	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.3800	0.418	3	108.2652	1.220	6	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.5275	0.439	2	108.2652	1.220	6	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.3960	0.000	1	108.2652	1.220	6	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	110.5210	0.000	1	110.5210	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.4052	0.165	4	109.4052	0.027	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HS)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.5805	0.419	2	109.5805	0.176	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|Br<1>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.9680	0.000	1	108.7758	0.565	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.3250	0.000	1	108.7758	0.565	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.5610	0.000	1	108.7758	0.565	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.2490	0.000	1	108.7758	0.565	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|S<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.3640	0.175	2	109.3640	0.031	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5,6,6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.8960	0.000	1	109.8960	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.3800	0.526	2	108.3800	0.277	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]HH)(OH)(H){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	106.6720	0.000	1	106.6720	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.2330	0.000	1	109.2330	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.1953	1.476	10	109.1953	2.178	10	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.4970	0.000	1	108.4970	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.9760	0.000	1	108.9760	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	111.5720	0.000	1	111.5720	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.5220	0.000	1	107.5220	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.1640	0.000	1	108.8526	0.636	9	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.1615	0.356	2	108.8526	0.636	9	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.4050	1.003	4	108.8526	0.636	9	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|S<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.7880	0.000	1	108.8526	0.636	9	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.7780	0.000	1	108.8526	0.636	9	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.8200	0.000	1	108.6610	1.901	13	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.7422	1.639	4	108.6610	1.901	13	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.2830	0.000	1	108.6610	1.901	13	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	106.7790	0.000	1	108.6610	1.901	13	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.7545	0.227	2	108.6610	1.901	13	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.5583	1.242	4	108.6610	1.901	13	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	110.1790	0.000	1	109.7505	0.367	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5a,6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.3220	0.000	1	109.7505	0.367	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.7610	0.000	1	107.7610	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.3865	0.985	2	109.3748	0.324	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.3340	0.000	1	109.3748	0.324	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.3920	0.000	1	109.3748	0.324	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.8115	0.692	2	109.0012	2.013	6	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	110.1660	0.000	1	109.0012	2.013	6	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	106.4310	0.000	1	109.0012	2.013	6	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.5140	0.000	1	109.0012	2.013	6	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.2730	0.000	1	109.0012	2.013	6	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.0840	0.000	1	109.0840	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.8730	0.000	1	107.8730	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.9743	0.484	7	108.9743	0.234	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.4130	0.270	3	109.4130	0.073	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.4143	0.692	3	108.4143	0.479	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6,6]HH)(OH)(H){3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.5380	0.000	1	109.5380	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|S<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.1100	0.000	1	109.1100	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.5320	0.000	1	109.5320	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.0975	0.316	2	108.9952	0.143	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.8930	0.536	2	108.9952	0.143	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.3560	0.000	1	108.5975	0.117	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.8390	0.000	1	108.5975	0.117	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.3080	0.526	2	108.1627	0.202	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.8720	0.000	1	108.1627	0.202	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.4910	0.397	3	108.6054	0.176	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.4350	0.453	2	108.6054	0.176	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.2660	0.000	1	108.6054	0.176	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.6290	0.000	1	108.6054	0.176	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HO)(OH)(H){1|S<4>,3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	106.9780	0.000	1	106.9780	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.6660	0.000	1	108.6660	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.3460	0.281	2	109.3790	0.043	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(OH)(H){3|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.4450	0.000	1	109.3790	0.043	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.4930	0.000	1	109.4930	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	111.3220	0.000	1	111.3220	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(OH)(H){2|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.3880	0.606	16	108.3880	0.368	16	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	110.9140	0.000	1	110.9140	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.9250	0.000	1	109.0758	2.247	6	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.2960	0.000	1	109.0758	2.247	6	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	106.0850	0.000	1	109.0758	2.247	6	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.9360	0.000	2	109.0758	2.247	6	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OH)(H){3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.2770	0.000	1	109.0758	2.247	6	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	110.0945	0.807	2	109.3810	0.616	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.4510	0.000	1	109.3810	0.616	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.8500	0.000	1	109.3810	0.616	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.2990	0.000	1	109.3810	0.616	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.5380	0.000	1	109.3810	0.616	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){3|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.3400	0.000	1	109.3810	0.616	7	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.1257	0.361	3	109.1257	0.130	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|O<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	110.8710	0.000	1	109.1985	2.227	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.3350	0.000	1	109.1985	2.227	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.3500	0.000	1	109.1985	2.227	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]S[5]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	107.2380	0.000	1	109.1985	2.227	4	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.0050	0.000	1	109.0050	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	108.3720	0.000	1	109.2123	0.557	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.7980	0.000	1	109.2123	0.557	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.4670	0.000	1	109.2123	0.557	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]S[6]HH)(OH)(H){1|As<3>,1|S<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	106.0120	0.000	1	106.0120	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]O[6]H)(OH)(H){2|C<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.6570	0.000	1	109.6570	0.000	1	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H){1|F<1>,1|H<1>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.1535	0.745	2	109.1535	0.554	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	109.4960	0.477	3	109.4960	0.227	3	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]O)	105.9435	2.708	2	105.9435	7.331	2	108.7348	1.266	368	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	O(C[6]C[3,6]C[6,6]H)(H)	H(C[6]C[3,6]C[6,6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[3,6]C[6,6]H)(H)	H(C[6]C[3,6]C[6,6]O)	110.7493	2.295	3	110.7493	5.269	3	110.3648	3.292	5	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	O(C[6]C[3,6]C[6,6]H)(H)	H(C[6]C[3,6]C[6,6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[3,6]C[6,6]H)(H)	H(C[6]C[3,6]C[6,6]O)	108.9160	0.000	1	108.9160	0.000	1	110.3648	3.292	5	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[3,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H)	O(C[6]C[3,6]C[6,6]H)(H)	H(C[6]C[3,6]C[6,6]O)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[3,6]C[6,6]H)(H)	H(C[6]C[3,6]C[6,6]O)	110.6600	0.000	1	110.6600	0.000	1	110.3648	3.292	5	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	106.8750	0.000	1	106.8750	0.000	1	107.6035	0.647	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,5,6]O[5]H)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	106.9315	0.071	2	106.9315	0.005	2	107.6035	0.647	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]O[5]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	107.6418	0.623	5	107.6418	0.388	5	107.6035	0.647	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H)	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,3|H<1>,4|C<3>}	O(C[6]C[5,6]C[6,6]H)(H)	H(C[6]C[5,6]C[6,6]O)	108.2307	1.070	3	108.2307	1.146	3	107.6035	0.647	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H)	O(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<3>,1|H<1>,7|C<4>}	O(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2O)	109.0420	0.000	1	109.0420	0.000	1	109.0909	0.941	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	O(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<3>,1|H<1>,7|C<4>}	O(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2O)	109.1370	0.000	1	109.1370	0.000	1	109.0909	0.941	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H)	O(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]C[6]H)2(OH)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>,5|C<3>}	O(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2O)	107.7465	0.131	2	107.7465	0.017	2	109.0909	0.941	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H)	O(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]O[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2O)	109.9700	0.000	1	109.9700	0.000	1	109.0909	0.941	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H)	O(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<4>,3|H<1>}	O(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2O)	107.5440	0.000	1	107.5440	0.000	1	109.0909	0.941	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H)	O(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]O[6]H)2(OH)(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6,6]2H)(H)	H(C[6]C[6,6]2O)	109.7628	0.297	5	109.7628	0.088	5	109.0909	0.941	11	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.9282	0.281	4	108.9282	0.079	4	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.6720	0.000	1	108.6720	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8880	0.000	1	108.8880	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]CH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.9050	0.225	2	106.9050	0.051	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0950	0.000	1	108.0835	0.000	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0720	0.000	1	108.0835	0.000	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]HO)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.0140	0.000	1	107.0140	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.4490	0.000	1	108.4490	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.7210	1.561	2	108.2850	2.173	3	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.4130	0.000	1	108.2850	2.173	3	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.8820	0.000	1	106.8820	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.8950	0.000	1	109.8950	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.4980	0.000	1	107.4980	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.5270	0.000	1	107.5270	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.3310	0.000	1	108.7630	4.101	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	110.1950	0.000	1	108.7630	4.101	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.5300	0.141	2	107.3586	3.847	5	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.5777	2.323	3	107.3586	3.847	5	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.2895	0.036	4	106.2895	0.001	4	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.2370	0.013	2	108.2370	0.000	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.6460	0.000	1	108.6460	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0380	0.000	1	107.9267	0.766	6	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.5553	1.196	3	107.9267	0.766	6	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.4280	0.199	2	107.9267	0.766	6	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8080	0.607	2	108.3440	0.505	4	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(OH)(H){3|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.8800	0.533	2	108.3440	0.505	4	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HO)(OH)(H){1|N<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.3200	0.000	1	109.3200	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.4540	0.000	1	107.7242	0.781	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.5714	0.890	5	107.7242	0.781	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.1460	0.000	1	107.7242	0.781	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<4>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.5130	0.000	1	107.7242	0.781	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.3870	0.000	1	107.7242	0.781	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.8045	0.037	2	107.7242	0.781	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.3160	0.000	1	107.3160	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.1620	0.000	1	108.8794	3.927	8	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	113.4680	0.000	1	108.8794	3.927	8	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|N<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.9360	0.000	1	108.8794	3.927	8	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.7685	0.105	2	108.8794	3.927	8	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.0025	0.255	2	108.8794	3.927	8	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.9270	0.000	1	108.8794	3.927	8	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.1745	0.187	2	109.1745	0.035	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.4150	0.000	1	107.4150	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.3355	0.482	2	108.3355	0.232	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.2700	0.000	1	109.2700	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	101.3950	0.000	1	108.2067	1.378	94	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.2799	0.940	93	108.2067	1.378	94	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(OH)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.0190	0.000	1	109.0190	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.3160	0.000	1	108.3160	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.9723	0.307	3	108.9723	0.094	3	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.3780	0.060	4	108.3780	0.004	4	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.4030	0.000	1	107.4030	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8470	0.000	1	108.8470	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.6355	0.985	2	106.6355	0.970	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8780	0.935	2	108.8780	0.874	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.8160	0.000	1	107.6285	0.070	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2Br)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.4410	0.000	1	107.6285	0.070	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.3895	0.373	4	108.1436	0.316	15	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0300	0.000	1	108.1436	0.316	15	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.1328	0.186	4	108.1436	0.316	15	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.6670	0.000	1	108.1436	0.316	15	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.4620	0.000	1	108.1436	0.316	15	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<1>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0650	0.000	1	108.1436	0.316	15	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8330	0.000	1	108.1436	0.316	15	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0040	0.163	2	108.1436	0.316	15	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.4370	0.000	1	108.6300	0.074	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8230	0.000	1	108.6300	0.074	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0030	0.000	1	107.8383	0.088	7	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2Cl)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.8108	0.316	6	107.8383	0.088	7	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0427	0.973	7	108.0427	0.946	7	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.4699	0.623	8	107.7764	0.496	25	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.8320	0.607	3	107.7764	0.496	25	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.8651	0.690	9	107.7764	0.496	25	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,3|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.0750	0.000	1	107.7764	0.496	25	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.5553	0.793	3	107.7764	0.496	25	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OH)(H){3|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.6290	0.000	1	107.7764	0.496	25	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.8505	0.981	2	107.7600	1.074	4	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.7250	0.000	1	107.7600	1.074	4	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.6140	0.000	1	107.7600	1.074	4	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.2970	0.000	1	107.0860	1.245	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(OH)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.8750	0.000	1	107.0860	1.245	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.2660	0.000	1	108.3670	0.902	4	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.9220	0.000	1	108.3670	0.902	4	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.7240	0.000	1	108.3670	0.902	4	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(OH)(H){2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.5560	0.000	1	108.3670	0.902	4	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(OH)(H){2|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.9270	0.000	1	108.9270	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(OH)(H){3|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.4820	0.000	1	109.4820	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6]HN)(OH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.6230	0.000	1	109.6230	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.2310	0.000	1	107.2310	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.4140	0.000	1	106.4140	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.5960	0.000	1	109.5960	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.9190	0.000	1	108.1190	0.352	18	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.1170	0.703	5	108.1190	0.352	18	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0035	0.101	2	108.1190	0.352	18	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.9427	0.487	3	108.1190	0.352	18	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.0870	0.000	1	108.1190	0.352	18	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.7310	0.000	1	108.1190	0.352	18	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.8320	0.000	1	108.1190	0.352	18	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.9430	0.000	1	108.1190	0.352	18	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.8360	0.000	1	108.1190	0.352	18	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.3500	0.000	1	108.1190	0.352	18	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.0240	0.000	1	108.1190	0.352	18	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.3865	0.026	2	108.3865	0.001	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OH)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.3040	0.106	2	109.3040	0.011	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){1|C<3>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.9450	0.000	1	107.5920	0.249	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(OH)(H){8|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.2390	0.000	1	107.5920	0.249	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]O)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]O)(OH)(H){1|H<1>,4|C<3>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.5130	0.000	1	107.5130	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.1800	0.000	1	108.5797	0.845	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.4780	0.000	1	108.5797	0.845	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){1|C<3>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.4790	0.000	1	108.5797	0.845	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.6037	0.697	3	108.5797	0.845	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OH)(H){8|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.2858	1.211	5	108.5797	0.845	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.4980	0.286	2	108.6100	0.313	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|H<1>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.7140	0.579	3	108.6100	0.313	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.7650	0.000	1	108.6100	0.313	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0080	0.136	2	108.6100	0.313	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(OH)(H){3|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.5710	0.000	1	108.6100	0.313	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.7775	0.197	2	107.8897	0.057	3	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(OH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.1140	0.000	1	107.8897	0.057	3	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.1004	0.379	5	108.4806	0.944	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.6690	0.000	1	108.4806	0.944	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.5870	0.000	1	108.4806	0.944	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.6590	0.089	2	108.4806	0.944	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.4730	0.000	1	108.4806	0.944	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.7380	0.000	1	108.4806	0.944	11	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.4120	0.000	1	108.7682	0.628	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.7947	0.409	3	108.7682	0.628	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.4565	1.098	4	108.7682	0.628	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.2920	0.000	1	108.7682	0.628	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.0640	0.000	1	107.3107	0.942	7	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	105.9760	0.000	1	107.3107	0.942	7	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|O<2>,7|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.7480	0.000	1	107.3107	0.942	7	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.0630	0.645	2	107.3107	0.942	7	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.1305	0.064	2	107.3107	0.942	7	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.4140	0.000	1	109.4140	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.5770	0.000	1	107.9011	5.961	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.5520	0.000	1	107.9011	5.961	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.9050	0.000	1	107.9011	5.961	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	103.7560	0.000	2	107.9011	5.961	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.3620	0.000	1	107.9011	5.961	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.4007	0.668	3	107.9011	5.961	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.1350	0.000	1	108.1350	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(OH)(H){3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.5240	0.000	1	109.5240	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.8110	0.000	1	106.8110	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.4170	0.000	1	107.8210	0.204	5	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(OH)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.9220	0.452	4	107.8210	0.204	5	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.7720	0.000	1	108.7530	2.077	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.7340	0.000	1	108.7530	2.077	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.5510	0.000	1	108.1470	0.710	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.7430	0.000	1	108.1470	0.710	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.2615	0.166	2	109.2615	0.028	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8265	0.736	2	108.6152	0.322	5	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.5430	0.000	1	108.6152	0.322	5	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.9840	0.000	1	108.6152	0.322	5	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.8960	0.000	1	108.6152	0.322	5	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<2>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.4800	0.031	2	108.3823	0.660	13	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.5830	0.000	1	108.3823	0.660	13	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.3750	0.000	1	108.3823	0.660	13	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.3104	0.735	8	108.3823	0.660	13	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(OH)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.5690	0.000	1	108.3823	0.660	13	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.7670	0.000	1	108.7670	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.7940	0.000	1	108.7940	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(OH)(H){3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.9230	0.000	1	108.9230	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.1270	0.000	1	108.1270	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0630	0.000	1	108.9677	1.312	8	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	111.5490	0.000	1	108.9677	1.312	8	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.6883	0.496	6	108.9677	1.312	8	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	110.1650	0.000	1	110.1650	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8140	0.313	3	108.8140	0.098	3	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(OH)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.5620	0.151	2	108.5620	0.023	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(OH)(H){1|C<3>,5|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.0490	0.000	1	107.0490	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.0505	1.636	2	108.9187	1.390	3	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.6550	0.000	1	108.9187	1.390	3	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(OH)(H){1|Cl<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8290	0.000	1	108.8290	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.2691	0.383	9	108.2691	0.146	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.9440	0.000	1	110.0512	0.721	6	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.5130	0.542	3	110.0512	0.721	6	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	110.9120	0.809	2	110.0512	0.721	6	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(OH)(H){1|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.7150	0.038	2	109.7150	0.001	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.7955	1.009	2	108.2021	0.523	7	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.9080	0.000	1	108.2021	0.523	7	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.6943	0.054	3	108.2021	0.523	7	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.8330	0.000	1	108.2021	0.523	7	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.0960	0.000	1	109.1021	0.733	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.2279	0.822	8	109.1021	0.733	9	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	98.7603	0.000	1	108.8854	4.984	30	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.9290	2.292	2	108.8854	4.984	30	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.4105	0.039	2	108.8854	4.984	30	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.4763	1.116	3	108.8854	4.984	30	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.3995	0.108	2	108.8854	4.984	30	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.3740	0.000	1	108.8854	4.984	30	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.4282	0.709	12	108.8854	4.984	30	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	111.6830	1.124	2	108.8854	4.984	30	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.4608	0.372	4	108.8854	4.984	30	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OH)(H){6|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.1730	0.000	1	108.8854	4.984	30	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.2990	0.000	1	109.5910	0.171	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N[5]H)(OH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.8830	0.000	1	109.5910	0.171	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.6732	0.777	5	108.6732	0.604	5	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.9100	0.330	2	109.9100	0.109	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HS)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.3440	0.000	1	109.3440	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.5015	0.069	2	108.5015	0.005	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8615	0.933	2	108.8615	0.870	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]S[6]H)(C[6]O[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	110.1710	0.346	2	110.1710	0.120	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6a]HO)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.7870	0.000	1	107.7870	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]OO)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.9300	0.000	1	106.9300	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.9630	0.000	1	108.9630	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(OH)(H){1|H<1>,1|N<3>,4|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.2550	0.000	1	109.2550	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.6390	0.109	2	108.6390	0.012	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.1410	0.000	1	109.1410	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(OH)(H){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.4550	0.000	1	109.4550	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.0930	0.000	1	109.0930	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6]ClH)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.9980	0.000	1	108.9980	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(OH)(H){1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.5720	0.000	1	108.5720	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.0157	0.224	3	108.3126	1.010	5	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.2580	0.482	2	108.3126	1.010	5	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8280	0.000	1	108.2705	0.622	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	107.7130	0.000	1	108.2705	0.622	2	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.2060	0.000	1	108.2060	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	106.5180	0.000	1	106.5180	0.000	1	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.0190	0.000	1	108.8313	1.025	3	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.7375	1.414	2	108.8313	1.025	3	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	110.1955	0.455	2	109.4783	0.658	6	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	109.6980	0.102	2	109.4783	0.658	6	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.2320	0.000	1	109.4783	0.658	6	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|F<1>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8510	0.000	1	109.4783	0.658	6	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.3790	0.000	1	108.7461	0.223	7	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OH)(H){2|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6,6]C[6]H)(H)	H(C[6]C[6,6]C[6]O)	108.8073	0.486	6	108.7461	0.223	7	108.3582	1.388	508	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[3x6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H)	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	C[6](C[6]C[5,5]C[6]H)(C[3x6]C[3x6]2H)(OH)(H){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	O(C[6]C[3x6]C[6]H)(H)	H(C[6]C[3x6]C[6]O)	109.2840	0.000	1	109.2840	0.000	1	109.2840	0.000	1	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:D-1:	C[6]-4:	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H)	O(C[6]C[6]2H)(D)	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]N[6a]H)(C[6]N[6]HH)(OD)(H){1|D<1>,4|C<3>}	O(C[6]C[6]2H)(D)	H(C[6]C[6]2O)	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.5450	0.000	1	107.5450	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6410	0.000	1	108.6410	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8390	0.000	1	108.8390	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6060	0.000	1	107.6060	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H){1|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6570	0.000	1	107.6570	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4200	0.000	1	108.4200	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7525	0.834	2	108.7525	0.695	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HN)(C[6]C[6]BrH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1750	1.714	2	109.1750	2.938	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.4677	3.847	3	106.4677	14.796	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6490	0.000	1	109.6490	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(OH)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5140	0.000	1	108.5140	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3x6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7790	0.000	1	108.7790	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9540	1.701	4	107.9540	2.892	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,1|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.1140	0.000	1	107.1140	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6220	2.135	5	108.6220	4.557	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[4]C[6]C)(C[6]C[6,6]HH)(OH)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1600	0.000	1	108.1600	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6940	0.000	1	109.6730	0.001	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6520	0.000	1	109.6730	0.001	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,3x6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2870	0.000	1	108.2870	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6,6]HH)(C[6]O[6]CC)(OH)(H){1|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6920	0.000	1	108.6920	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(OH)(H){1|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	104.5320	0.000	1	104.5320	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CO)(OH)(H){5|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.4950	0.000	1	107.4950	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6,6]HH)(OH)(H){1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7140	0.000	1	108.7140	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.3563	0.701	3	107.3563	0.492	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.5790	0.000	1	107.5790	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.5330	0.000	1	109.5330	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.1760	0.000	1	107.3620	0.805	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.4240	1.089	3	107.3620	0.805	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.0900	0.000	1	108.3366	0.860	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9990	0.107	3	108.3366	0.860	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.5960	0.000	1	108.3366	0.860	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4540	0.000	1	109.5140	2.247	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.5740	0.000	1	109.5140	2.247	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9160	0.000	1	107.9160	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0767	0.091	3	108.6535	1.336	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.3840	0.000	1	108.6535	1.336	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.7650	0.000	1	108.2951	0.646	10	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3480	0.386	4	108.2951	0.646	10	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7255	0.180	2	108.2951	0.646	10	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6000	0.000	1	108.2951	0.646	10	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.8715	0.739	2	108.2951	0.646	10	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)2(OH)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2330	0.000	1	108.2330	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.7950	0.000	1	106.7950	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9210	0.000	1	107.9210	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]FH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]FH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.8751	0.585	8	106.8751	0.342	8	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1560	0.215	2	108.0003	1.121	6	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(OH)(H){2|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.4225	0.719	4	108.0003	1.121	6	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.3855	0.141	2	107.3855	0.020	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5010	0.000	1	108.3915	0.024	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2820	0.000	1	108.3915	0.024	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClC)(OH)(H){2|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.3470	0.000	1	107.3470	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.9480	0.000	1	108.5140	2.380	16	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0995	0.387	4	108.5140	2.380	16	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3405	0.183	2	108.5140	2.380	16	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|N<4>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2320	0.815	2	108.5140	2.380	16	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.1990	3.701	2	108.5140	2.380	16	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9790	0.000	1	108.5140	2.380	16	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3630	0.011	2	108.5140	2.380	16	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8150	0.826	2	108.5140	2.380	16	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.4780	0.000	1	109.1307	1.306	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9545	0.361	2	109.1307	1.306	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7387	0.336	3	109.1307	1.306	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	111.3350	0.000	1	109.1307	1.306	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.4850	0.000	1	109.1307	1.306	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7530	0.000	1	109.1307	1.306	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.8690	0.000	1	107.8690	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OH)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2200	0.000	1	109.2200	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HI)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0907	0.283	3	109.0907	0.080	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7020	0.000	1	108.7020	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.0200	0.000	1	107.0200	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.3020	0.847	2	107.7973	1.095	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7880	0.000	1	107.7973	1.095	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]ClH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2270	0.000	1	109.2270	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3420	0.000	1	108.1284	0.877	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.4960	0.000	1	108.1284	0.877	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4795	0.189	2	108.1284	0.877	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8450	0.000	1	108.1284	0.877	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3493	1.981	3	108.5868	2.159	6	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1375	1.421	2	108.5868	2.159	6	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HN)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1980	0.000	1	108.5868	2.159	6	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9480	0.021	2	108.6583	0.695	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|N<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9080	0.000	1	108.6583	0.695	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5365	1.109	4	108.6583	0.695	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.1130	0.000	1	108.6583	0.695	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9390	0.471	2	108.6583	0.695	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2057	0.609	3	108.6583	0.695	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	105.9360	0.000	3	107.4815	2.927	6	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0270	0.389	3	107.4815	2.927	6	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9460	0.000	1	108.7970	0.029	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7225	0.158	2	108.7970	0.029	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.4420	1.041	3	107.4420	1.084	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(OH)(H){1|N<2>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1760	0.000	1	108.1760	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3850	0.000	1	108.4570	0.010	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5290	0.000	1	108.4570	0.010	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9150	0.000	1	108.9150	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6a]O[6]H)(OH)(H){6|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1400	0.000	1	109.1400	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|O<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3585	0.639	4	108.3585	0.408	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.3440	0.000	1	107.3440	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]SiH)(OH)(H){1|C<4>,3|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.2070	0.000	1	107.2070	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.7820	0.000	1	107.7820	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0770	0.355	2	109.2873	0.196	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.7080	0.000	1	109.2873	0.196	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(OH)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0960	0.000	1	109.0960	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]H)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3140	0.000	1	109.3140	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]CH)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1105	0.047	2	109.1105	0.002	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7340	0.091	2	108.7340	0.008	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9210	0.000	1	108.9210	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7200	0.881	2	107.7321	0.554	135	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.8825	0.308	2	107.7321	0.554	135	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.9407	0.916	3	107.7321	0.554	135	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.7329	0.730	128	107.7321	0.554	135	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5701	0.565	15	108.5701	0.320	15	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6660	0.000	1	108.6660	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0122	0.898	4	107.8798	0.693	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.3500	0.000	1	107.8798	0.693	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3760	0.000	1	108.3822	0.464	12	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4090	1.028	2	108.3822	0.464	12	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3165	0.444	6	108.3822	0.464	12	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.8310	0.086	3	108.3822	0.464	12	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9690	0.000	1	107.9690	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9410	0.000	1	107.1349	1.244	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.2820	0.000	1	107.1349	1.244	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	105.9295	1.767	2	107.1349	1.244	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6207	0.172	3	107.1349	1.244	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1935	0.524	2	108.1935	0.275	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6880	0.219	3	109.6880	0.048	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.5440	0.000	1	109.0230	0.543	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5020	0.000	1	109.0230	0.543	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0592	0.548	4	109.0592	0.300	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(OH)(H){2|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2240	0.000	1	108.2240	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.4910	0.000	1	107.0823	1.242	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.3780	1.400	2	107.0823	1.242	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.5840	0.000	1	107.5840	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.3720	0.035	2	107.8866	0.432	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0924	0.680	5	107.8866	0.432	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1030	0.823	3	108.9472	0.933	228	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6695	0.923	60	108.9472	0.933	228	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3040	0.000	1	108.9472	0.933	228	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2740	0.000	1	108.9472	0.933	228	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<3>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.7940	0.000	1	108.9472	0.933	228	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6850	0.000	1	108.9472	0.933	228	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5830	0.000	1	108.9472	0.933	228	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0037	0.196	3	108.9472	0.933	228	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9320	0.000	1	108.9472	0.933	228	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7304	0.883	8	108.9472	0.933	228	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1163	0.978	145	108.9472	0.933	228	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OH)(H){5|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3950	0.827	3	108.9472	0.933	228	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2433	1.733	3	108.6005	1.515	35	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1835	0.159	2	108.6005	1.515	35	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.4910	0.000	1	108.6005	1.515	35	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4325	0.695	8	108.6005	1.515	35	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9500	0.000	1	108.6005	1.515	35	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0008	0.364	5	108.6005	1.515	35	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OH)(H){5|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9345	1.591	15	108.6005	1.515	35	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3830	0.156	2	109.3830	0.024	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<3>,1|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.5900	0.000	1	108.7343	0.982	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3065	0.008	2	108.7343	0.982	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6560	0.000	1	109.6560	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1540	0.000	1	109.1540	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0150	0.000	1	109.0150	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HN)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1240	0.000	1	109.1240	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5710	0.000	1	108.5710	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6530	0.178	2	108.6530	0.032	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.4360	0.000	1	107.5133	0.445	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2160	0.000	1	107.5133	0.445	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.8880	0.000	1	107.5133	0.445	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0400	0.000	1	108.1767	2.661	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0210	0.000	1	108.1767	2.661	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4790	0.000	1	108.1767	2.661	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	103.2030	0.000	1	108.1767	2.661	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2670	0.000	1	108.1767	2.661	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.3620	0.000	1	108.1767	2.661	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.7330	0.000	1	108.1767	2.661	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){1|O<2>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2465	0.183	2	108.1767	2.661	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6747	0.443	4	108.1767	2.661	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6350	0.000	1	108.8560	1.214	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HN)(OH)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0770	0.000	1	108.8560	1.214	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4552	0.590	5	108.4840	1.271	20	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9215	0.937	2	108.4840	1.271	20	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.2940	2.143	3	108.4840	1.271	20	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4678	0.587	10	108.4840	1.271	20	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(OH)(H){4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3880	0.000	1	109.3880	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3970	0.000	1	109.3019	2.230	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3773	1.534	12	109.3019	2.230	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4720	0.933	2	108.4720	0.871	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	111.6827	2.708	3	111.6827	7.335	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8320	0.000	1	108.8320	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]N[6]H)(C[6]C[6]HH)(OH)(H){3|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3330	0.000	1	109.3330	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6210	0.000	1	107.6210	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6700	0.000	1	107.6700	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0130	0.000	1	108.9555	0.007	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(OH)(H){1|S<4>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8980	0.000	1	108.9555	0.007	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2310	0.000	1	109.2310	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0770	0.000	1	109.0770	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(OH)(H){4|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2790	0.000	1	109.2790	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	111.3010	0.000	1	111.3010	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7520	0.000	1	108.7520	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2380	0.114	4	109.2380	0.013	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HI)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1440	0.000	1	109.1440	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7475	0.629	2	108.7475	0.395	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6599	1.388	17	108.6599	1.928	17	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3310	0.391	3	109.3310	0.153	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(OH)(H){2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4252	0.740	5	108.4252	0.547	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(OH)(H){2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.3325	1.850	2	110.3325	3.424	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.5990	0.436	2	109.5990	0.190	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(OH)(H){3|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6630	0.000	1	107.6630	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(OH)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8573	0.315	3	108.8573	0.099	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4910	0.825	4	108.5451	1.736	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.2840	0.109	3	108.5451	1.736	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	111.5550	0.000	1	108.0550	24.500	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	104.5550	0.000	1	108.0550	24.500	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3920	0.000	1	109.3920	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.8680	0.000	1	108.2890	4.038	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(OH)(H){1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.7100	0.000	1	108.2890	4.038	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|B<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9210	0.000	1	108.0551	0.487	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.4900	0.000	1	108.0551	0.487	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9975	0.099	4	108.0551	0.487	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7330	0.000	1	108.0551	0.487	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1810	0.407	2	108.0551	0.487	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.0480	0.000	1	108.4482	0.794	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9985	0.377	2	108.4482	0.794	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5980	0.649	2	108.4482	0.794	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]S[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]S[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.9170	0.000	1	106.9170	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)2(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	105.8180	0.000	1	105.8180	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8195	0.206	2	108.7540	0.194	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6885	0.722	2	108.7540	0.194	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2920	0.000	1	109.2920	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.7590	0.040	2	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0410	0.000	1	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8183	0.059	4	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8430	0.000	1	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.5740	0.006	2	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.5160	0.000	1	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5990	0.000	1	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0270	0.245	5	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0670	1.114	4	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1080	0.000	1	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4020	0.000	1	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4920	0.650	4	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1770	0.000	1	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){1|S<2>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1720	0.000	1	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5160	0.000	1	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2076	0.593	13	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6310	0.000	1	108.6367	0.511	44	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	112.7370	0.000	1	112.7370	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.8320	0.000	1	108.4586	0.340	17	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7357	0.219	3	108.4586	0.340	17	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3410	0.000	1	108.4586	0.340	17	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7090	0.000	1	108.4586	0.340	17	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.4410	0.000	1	108.4586	0.340	17	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3583	0.651	6	108.4586	0.340	17	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,1|O<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1920	0.554	2	108.4586	0.340	17	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3660	0.185	2	108.4586	0.340	17	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2500	0.326	3	108.5856	0.956	21	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6130	0.000	1	108.5856	0.956	21	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1880	0.662	6	108.5856	0.956	21	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0580	0.123	2	108.5856	0.956	21	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2945	0.153	2	108.5856	0.956	21	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.7800	0.000	1	108.5856	0.956	21	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.7590	0.000	1	108.5856	0.956	21	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|N<3>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.7840	0.136	3	108.5856	0.956	21	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OH)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1050	0.099	2	108.5856	0.956	21	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9560	0.182	2	108.9373	0.018	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9000	0.000	1	108.9373	0.018	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.3100	0.000	1	107.3100	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.2310	0.520	3	107.2310	0.270	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6223	0.248	3	108.1006	0.392	10	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5640	0.000	1	108.1006	0.392	10	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.4387	0.373	4	108.1006	0.392	10	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4100	0.088	2	108.1006	0.392	10	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1310	0.000	1	109.1310	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2167	1.560	3	108.5167	2.444	19	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1435	5.345	2	108.5167	2.444	19	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1800	0.520	4	108.5167	2.444	19	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2840	0.000	1	108.5167	2.444	19	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|Cl<1>,1|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4010	0.000	1	108.5167	2.444	19	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0230	0.000	1	108.5167	2.444	19	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0302	0.973	6	108.5167	2.444	19	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OH)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2720	0.000	1	108.5167	2.444	19	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HW)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HW)(OH)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.7120	0.677	2	107.7120	0.459	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5060	0.000	1	107.7057	0.602	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.4390	0.690	3	107.7057	0.602	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)2(OH)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.8250	0.000	1	109.8250	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4700	0.000	1	109.4700	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1450	0.000	1	109.1450	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.0720	0.000	1	107.0720	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9770	0.000	1	108.8473	0.284	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){1|Se<2>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0620	0.000	1	108.8473	0.284	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1750	0.064	2	108.8473	0.284	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7043	0.750	3	108.8665	0.480	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3530	0.000	1	108.8665	0.480	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9420	1.082	2	108.7848	1.133	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.0020	0.000	1	108.7848	1.133	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6010	0.000	1	108.7848	1.133	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4370	0.000	1	108.7848	1.133	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H){1|C<4>,2|F<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.9030	0.000	1	109.9030	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.4116	0.970	5	110.4116	0.940	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0335	1.423	2	107.7630	0.773	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.4925	0.022	2	107.7630	0.773	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.7057	0.569	9	109.7057	0.324	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.9340	0.000	1	109.4810	0.098	6	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3904	0.246	5	109.4810	0.098	6	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4690	0.006	2	109.4690	0.000	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3420	0.000	1	109.3420	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6830	0.000	1	109.6695	0.000	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6560	0.000	1	109.6695	0.000	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)2(OH)(H){1|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.9962	0.435	5	109.9962	0.189	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6900	0.000	1	109.6900	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(OH)(H){1|N<3>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.6295	0.074	2	110.6295	0.006	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6400	0.000	1	109.0450	1.393	21	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.0810	1.697	3	109.0450	1.393	21	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7235	0.159	2	109.0450	1.393	21	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1632	1.236	6	109.0450	1.393	21	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6263	1.061	9	109.0450	1.393	21	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6038	1.792	6	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0660	0.000	2	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|I<1>,1|O<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7280	0.000	1	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.8210	0.000	1	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3380	0.000	1	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|W<7>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6210	0.000	2	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5700	0.000	1	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.8462	1.253	8	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.8830	2.083	2	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6427	0.878	6	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6750	0.000	1	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9826	1.017	5	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8047	0.645	22	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2970	0.000	1	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4753	0.305	3	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7406	0.168	5	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|N<3>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4980	0.000	1	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.0500	0.000	1	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7605	0.052	2	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4785	0.817	2	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4448	0.914	6	109.0033	0.883	79	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1110	1.192	2	108.1110	1.421	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(OH)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5550	0.000	1	108.5550	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2620	0.000	1	108.8001	0.120	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9615	0.071	2	108.8001	0.120	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|H<1>,1|S<4>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5915	0.298	2	108.8001	0.120	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){1|N<2>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1050	0.000	1	108.8001	0.120	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1280	0.000	1	108.8001	0.120	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2810	0.000	1	109.0862	0.029	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0940	0.000	1	109.0862	0.029	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1190	0.052	2	109.0862	0.029	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OH)(H){1|O<2>,1|S<4>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8180	0.000	1	109.0862	0.029	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HN)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7155	0.245	2	108.7155	0.060	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3740	0.000	1	109.3740	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3390	0.235	2	107.5408	0.446	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OH)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.3957	0.615	11	107.5408	0.446	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0340	0.518	3	109.0981	0.245	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1720	0.676	4	109.0981	0.245	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OH)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0465	0.101	2	109.0981	0.245	9	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	104.6480	0.853	2	104.6480	0.727	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.8465	0.098	2	109.8465	0.010	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3010	0.577	2	108.3180	0.167	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3520	0.000	1	108.3180	0.167	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6093	0.515	3	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8695	0.380	2	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2530	0.000	1	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3667	0.080	6	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.7860	0.000	2	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.2200	0.000	1	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2785	0.325	2	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.5848	0.268	6	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2505	0.684	4	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9000	0.122	4	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,2|H<1>,2|N<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.7560	0.000	1	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,2|H<1>,2|N<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2945	0.199	4	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7470	0.735	27	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8115	0.889	2	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1996	0.470	5	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9520	0.000	1	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<3>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6594	0.681	16	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3540	0.021	2	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4050	0.678	4	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|N<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0647	0.558	6	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.8720	0.251	4	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8577	0.383	10	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3523	0.749	3	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OH)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9680	0.000	1	108.8847	0.448	117	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.0065	0.145	2	110.0065	0.021	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1763	0.542	3	109.0204	0.934	45	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.9295	0.138	2	109.0204	0.934	45	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.6980	0.000	1	109.0204	0.934	45	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7929	1.122	18	109.0204	0.934	45	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0024	0.548	14	109.0204	0.934	45	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.7110	0.914	6	109.0204	0.934	45	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2610	0.000	1	109.0204	0.934	45	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.0435	4.044	2	107.0435	16.353	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7733	0.852	3	109.4861	0.639	8	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.9138	0.382	5	109.4861	0.639	8	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3960	0.609	3	109.3208	0.211	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2080	0.243	2	109.3208	0.211	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.5980	0.000	1	108.2346	0.969	10	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0831	0.912	9	108.2346	0.969	10	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.8040	0.000	1	110.4936	1.463	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.6785	1.860	2	110.4936	1.463	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	111.2020	0.624	2	110.4936	1.463	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5610	0.000	1	110.4936	1.463	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.3290	0.000	1	110.4936	1.463	7	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<3>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3820	0.539	2	109.2729	4.596	12	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6850	0.000	1	109.2729	4.596	12	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	111.9840	0.000	1	109.2729	4.596	12	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|H<1>,2|F<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.5935	4.566	2	109.2729	4.596	12	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4510	0.177	2	109.2729	4.596	12	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6882	2.440	4	109.2729	4.596	12	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.1320	0.000	1	109.1487	2.758	246	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4586	0.632	17	109.1487	2.758	246	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6740	0.714	2	109.1487	2.758	246	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.6780	1.674	4	109.1487	2.758	246	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1481	1.735	216	109.1487	2.758	246	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6905	0.098	2	109.1487	2.758	246	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0545	0.623	4	109.1487	2.758	246	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1636	1.376	17	109.1636	1.895	17	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.9060	0.000	1	109.9060	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|N<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	111.2010	0.000	1	109.2078	0.547	43	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1968	0.728	33	109.2078	0.547	43	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1083	0.496	7	109.2078	0.547	43	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OH)(H){3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7410	0.229	2	109.2078	0.547	43	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0763	1.543	12	109.0763	2.382	12	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Br<1>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5530	0.000	1	108.7898	1.810	266	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2370	0.000	1	108.7898	1.810	266	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1723	1.094	3	108.7898	1.810	266	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7927	1.358	256	108.7898	1.810	266	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.7840	0.000	1	108.7898	1.810	266	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|Cl<1>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3287	0.861	3	108.7898	1.810	266	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OH)(H){1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.0880	0.000	1	108.7898	1.810	266	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0667	0.716	13	109.0667	0.513	13	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]S[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1405	1.160	2	109.1405	1.346	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.7565	0.487	2	107.7565	0.237	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3295	0.248	2	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6657	0.945	3	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2280	0.000	1	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5045	0.033	2	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	111.6260	0.000	1	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4920	1.662	2	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|N<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.2490	0.000	1	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2510	0.199	2	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9128	0.784	6	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7323	3.479	9	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0305	0.696	4	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7953	1.899	6	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2170	0.000	1	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5102	0.262	4	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1636	1.208	16	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.5770	0.365	4	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.6480	1.977	2	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4894	0.831	10	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1740	0.020	2	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.5930	0.000	1	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8372	0.470	4	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,1|S<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.6280	0.540	2	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|N<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.2887	0.913	3	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7374	1.002	298	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4763	0.969	3	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.8410	0.607	3	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	111.1700	0.000	1	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0673	0.562	4	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7040	0.000	1	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0680	0.000	1	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,1|S<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.8300	0.000	1	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.5640	0.000	1	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OH)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5721	0.788	11	108.7199	1.262	412	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<3>,1|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.7250	0.126	2	109.4802	0.149	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HS)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2355	0.438	2	109.4802	0.149	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.6120	2.990	4	106.6120	8.938	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1390	0.000	1	108.5062	0.211	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<1>,1|W<7>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1670	0.000	2	108.5062	0.211	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)(H){3|C<4>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5520	0.000	1	108.5062	0.211	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]O[6]C)(C[6]C[6,6]HH)(OH)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3775	0.006	2	108.3775	0.000	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]O[6]H)(C[6]O[6]CO)(OH)(H){1|H<1>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7570	0.000	1	108.7570	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.5660	0.000	1	108.5660	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(OH)(H){1|Cl<1>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9140	0.000	1	108.9140	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(OH)(H){2|H<1>,4|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.5660	0.000	1	109.5660	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	113.7420	0.000	1	113.7420	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9640	0.000	1	107.9640	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0450	0.000	1	108.8955	0.045	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7460	0.000	1	108.8955	0.045	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7600	0.000	1	108.3742	0.201	6	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2643	0.517	4	108.3742	0.201	6	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.4280	0.000	1	108.3742	0.201	6	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3400	0.000	1	109.2145	0.032	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0890	0.000	1	109.2145	0.032	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.7780	0.884	2	108.7780	0.781	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.0010	0.000	1	106.0010	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.9760	0.000	1	108.9760	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OH)(H){4|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.3257	1.068	4	108.3257	1.140	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0307	1.293	3	109.1135	1.142	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3620	0.000	1	109.1135	1.142	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]HH)(OH)(H){4|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4610	0.000	1	109.4610	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.8960	0.000	1	110.8960	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HH)(C[6]C[6]HN)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4440	0.000	1	109.4440	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2750	0.000	1	109.2750	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){1|C<3>,1|N<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	105.2260	4.195	2	106.9902	7.004	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1663	0.151	3	106.9902	7.004	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5,6]HN)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.0740	0.000	1	109.0740	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.8830	0.000	1	107.8830	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HH)(OH)(H){1|O<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8495	0.127	2	108.8495	0.016	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]CH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.1525	0.315	2	109.1525	0.099	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]CH)(C[6]S[6]HH)(OH)(H){2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.0640	0.000	1	108.0640	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]S[6]HH)(OH)(H){4|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	107.9115	0.394	2	107.9115	0.155	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]HH)(C[6]C[6]CO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1930	0.000	1	108.1930	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a,6]HH)(C[6]S[6]HH)(OH)(H){2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.2670	0.000	1	108.2670	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4440	0.112	2	109.4440	0.012	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.2963	0.839	7	109.3051	0.605	8	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3670	0.000	1	109.3051	0.605	8	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){1|H<1>,2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	111.3220	0.366	2	109.3823	11.354	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]CO)(C[6]N[6]CC)(OH)(H){2|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	105.5030	0.000	1	109.3823	11.354	3	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	110.8055	0.671	2	110.1448	0.740	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]HH)(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.4840	0.153	2	110.1448	0.740	4	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(OH)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	102.3030	0.000	1	102.3030	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]S[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6]CC)(C[6]S[6]HH)(OH)(H){1|C<4>,1|S<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	106.2500	0.000	1	106.2500	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]N[6]HH)2(OH)(H){1|C<3>,2|H<1>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.3263	0.781	19	109.3263	0.610	19	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OH)(H){1|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.8345	1.582	2	108.8345	2.502	2	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)2(OH)(H){1|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	108.1860	0.000	1	108.1860	0.000	1	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]HH)2(OH)(H){1|C<3>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	111.1940	0.395	2	110.2752	0.833	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]HH)2(OH)(H)	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	C[6](C[6]O[6]HH)2(OH)(H){1|C<4>}	O(C[6]C[6]2H)(H)	H(C[6]C[6]2O)	109.6627	0.427	3	110.2752	0.833	5	108.7408	1.569	2454	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H)	O(C[6]C[6]P[6]H)(H)	H(C[6]C[6]P[6]O)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]P[6]H)(H)	H(C[6]C[6]P[6]O)	109.0990	0.195	2	109.0990	0.038	2	109.0990	0.038	2	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:1:	4:	P[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H)	O(C[6]C[6]P[6]H)(H)	H(C[6]C[6]P[6]O)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H){1|C<4>,2|H<1>,6|C<3>}	O(C[6]C[6]P[6]H)(H)	H(C[6]C[6]P[6]O)	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	108.6567	1.581	3556	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H)	O(C[6]C[5,6]C[6]H)(N[6]C[6]2)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(ON[6])(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(N[6]C[6]2)	H(C[6]C[5,6]C[6]O)	109.5040	0.000	1	109.5040	0.000	1	109.5040	0.000	1	109.6552	1.058	12	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	O(C[6]C[5,6]C[6]H)(PC[6a]2)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(PC[6a]2)	H(C[6]C[5,6]C[6]O)	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.6552	1.058	12	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H)	O(C[6]C[6,6]C[6]H)(NOO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(ON)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(NOO)	H(C[6]C[6,6]C[6]O)	108.4780	0.448	2	108.4780	0.201	2	108.4780	0.201	2	109.6552	1.058	12	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	O(C[6]C[6,6]C[6]H)(SOO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(SOO)	H(C[6]C[6,6]C[6]O)	110.4795	0.076	2	110.4795	0.006	2	110.4795	0.006	2	109.6552	1.058	12	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H)	O(C[6]C[6]2H)(NOO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(ON)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(NOO)	H(C[6]C[6]2O)	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	109.6552	1.058	12	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H)	O(C[6]C[6]2H)(N[5]C[5]2)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(ON[5])(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(N[5]C[5]2)	H(C[6]C[6]2O)	112.2350	0.000	1	112.2350	0.000	1	110.8190	4.010	2	109.6552	1.058	12	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[5]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H)	O(C[6]C[6]2H)(N[5]C[5]2)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(ON[5])(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(N[5]C[5]2)	H(C[6]C[6]2O)	109.4030	0.000	1	109.4030	0.000	1	110.8190	4.010	2	109.6552	1.058	12	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(ON[6])(H)	O(C[6]C[6]2H)(N[6]C[6]2)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(ON[6])(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(N[6]C[6]2)	H(C[6]C[6]2O)	109.1000	0.000	1	109.1000	0.000	1	109.1000	0.000	1	109.6552	1.058	12	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]O)	H(C[6]C[6]2O)	109.4660	0.000	1	109.4660	0.000	1	109.4660	0.000	1	109.6552	1.058	12	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	O(C[6]C[6]2H)(SC[6a]O)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SC[6a]O)	H(C[6]C[6]2O)	109.4660	0.000	1	109.4660	0.000	1	109.4660	0.000	1	109.6552	1.058	12	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[3,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[3,5,6]C[6]H)(CH3)	H(C[6]C[3,5,6]C[6]O)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(OC)(H){4|H<1>,5|C<4>}	O(C[6]C[3,5,6]C[6]H)(CH3)	H(C[6]C[3,5,6]C[6]O)	109.3070	0.653	5	109.3070	0.426	5	109.3070	0.426	5	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[3,6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H)	O(C[6]C[3,6,6]C[6,6]H)(CH3)	H(C[6]C[3,6,6]C[6,6]O)	C[6](C[3,6,6]C[3,6]2C[6])(C[6,6]C[6,6]C[6]H)(OC)(H){1|C<3>,4|C<4>,7|H<1>}	O(C[6]C[3,6,6]C[6,6]H)(CH3)	H(C[6]C[3,6,6]C[6,6]O)	107.8480	0.000	1	107.8480	0.000	1	107.8480	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(OC)(H)	O(C[6]C[3,6]C[5,6]H)(CH3)	H(C[6]C[3,6]C[5,6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]H)(OC)(H){1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[3,6]C[5,6]H)(CH3)	H(C[6]C[3,6]C[5,6]O)	108.2620	0.000	1	108.2620	0.000	1	109.1326	0.272	5	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[3,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OC)(H)	O(C[6]C[3,6]C[5,6]H)(CC[6a]HH)	H(C[6]C[3,6]C[5,6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(OC)(H){1|H<1>,2|C<4>}	O(C[6]C[3,6]C[5,6]H)(CC[6a]HH)	H(C[6]C[3,6]C[5,6]O)	109.3503	0.215	4	109.3503	0.046	4	109.1326	0.272	5	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<4>}	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	H(C[6]C[3,6]C[6]O)	108.7100	0.000	1	108.7100	0.000	1	109.5280	0.494	4	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H)	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]CH)(OC)(H){1|H<1>,2|C<4>}	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	H(C[6]C[3,6]C[6]O)	110.0685	0.398	2	110.0685	0.158	2	109.5280	0.494	4	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H)	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3]2O[6])(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,4|H<1>}	O(C[6]C[3,6]C[6]H)(CC[6a]HH)	H(C[6]C[3,6]C[6]O)	109.2650	0.000	1	109.2650	0.000	1	109.5280	0.494	4	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H)	O(C[6]C[3,6]C[6]H)(SiC3)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HO)(OSi)(H){1|C<4>,6|H<1>}	O(C[6]C[3,6]C[6]H)(SiC3)	H(C[6]C[3,6]C[6]O)	108.4740	0.000	1	108.4740	0.000	1	109.3080	0.327	4	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[3,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H)	O(C[6]C[3,6]C[6]H)(SiC3)	H(C[6]C[3,6]C[6]O)	C[6](C[3,6]C[3]C[6]O[3])(C[6]O[6]CH)(OSi)(H){2|C<4>,3|H<1>}	O(C[6]C[3,6]C[6]H)(SiC3)	H(C[6]C[3,6]C[6]O)	109.5860	0.164	3	109.5860	0.027	3	109.3080	0.327	4	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[3x6]C[6]H)(CH3)	H(C[6]C[3x6]C[6]O)	C[6](C[3x6]C[6,6,6a]O[6,6]O[6])(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<1>,3|C<3>}	O(C[6]C[3x6]C[6]H)(CH3)	H(C[6]C[3x6]C[6]O)	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[4,6]C[6]H)(CC[6a]HH)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(OC)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[4,6]C[6]H)(CC[6a]HH)	H(C[6]C[4,6]C[6]O)	109.3637	0.010	4	109.3637	0.000	4	109.3637	0.000	4	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[4,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H)	O(C[6]C[4,6]C[6]H)(SCOO)	H(C[6]C[4,6]C[6]O)	C[6](C[4,6]C[4,5]C[4,6]O)(C[6]C[6]HH)(OS)(H){3|C<4>,4|H<1>}	O(C[6]C[4,6]C[6]H)(SCOO)	H(C[6]C[4,6]C[6]O)	105.5540	0.000	1	105.5540	0.000	1	105.5540	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,3x6]C[6]H)(CH3)	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[5,3x6]C[6]H)(CH3)	H(C[6]C[5,3x6]C[6]O)	107.5223	0.205	10	107.5365	0.104	17	107.5129	0.108	18	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,3x6]C[6]H)(CH3)	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,2|O<2>,3|H<1>,5|C<4>}	O(C[6]C[5,3x6]C[6]H)(CH3)	H(C[6]C[5,3x6]C[6]O)	107.7765	0.139	2	107.5365	0.104	17	107.5129	0.108	18	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,3x6]C[6]H)(CH3)	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	O(C[6]C[5,3x6]C[6]H)(CH3)	H(C[6]C[5,3x6]C[6]O)	107.3243	0.485	4	107.5365	0.104	17	107.5129	0.108	18	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,3x6]C[6]H)(CH3)	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[5,6])(C[6]C[6]HH)(OC)(H){1|N<4>,1|O<2>,4|H<1>,5|C<4>}	O(C[6]C[5,3x6]C[6]H)(CH3)	H(C[6]C[5,3x6]C[6]O)	108.0480	0.000	1	107.5365	0.104	17	107.5129	0.108	18	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,3x6]C[6]H)(CH3)	H(C[6]C[5,3x6]C[6]O)	C[6](C[5,3x6]C[5,6,6]2C[6,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	O(C[6]C[5,3x6]C[6]H)(CH3)	H(C[6]C[5,3x6]C[6]O)	107.1120	0.000	1	107.1120	0.000	1	107.5129	0.108	18	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,5,3x6]C[6]H)(CH3)	H(C[6]C[5,5,3x6]C[6]O)	C[6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	O(C[6]C[5,5,3x6]C[6]H)(CH3)	H(C[6]C[5,5,3x6]C[6]O)	107.7290	0.312	3	107.7290	0.097	3	107.9546	0.249	9	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,5,3x6]C[6]H)(CH3)	H(C[6]C[5,5,3x6]C[6]O)	C[6](C[5,5,3x6]C[5,3x6]2C[5,5,6])(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	O(C[6]C[5,5,3x6]C[6]H)(CH3)	H(C[6]C[5,5,3x6]C[6]O)	108.5157	0.232	3	108.5157	0.054	3	107.9546	0.249	9	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,5,3x6]C[6]H)(CH3)	H(C[6]C[5,5,3x6]C[6]O)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]2)(C[6]C[6]HH)(OC)(H){1|N<3>,5|C<4>,5|H<1>}	O(C[6]C[5,5,3x6]C[6]H)(CH3)	H(C[6]C[5,5,3x6]C[6]O)	107.4350	0.222	2	107.4350	0.049	2	107.9546	0.249	9	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,5,3x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,5,3x6]C[6]H)(CH3)	H(C[6]C[5,5,3x6]C[6]O)	C[6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	O(C[6]C[5,5,3x6]C[6]H)(CH3)	H(C[6]C[5,5,3x6]C[6]O)	107.9870	0.000	1	107.9870	0.000	1	107.9546	0.249	9	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H)	O(C[6]C[5,5,6,6]C[6]H)(SiC3)	H(C[6]C[5,5,6,6]C[6]O)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,5,6,6]C[6]H)(SiC3)	H(C[6]C[5,5,6,6]C[6]O)	109.8830	0.000	1	109.8830	0.000	1	109.8830	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H)	O(C[6]C[5,5,6]C[6]H)(SiC3)	H(C[6]C[5,5,6]C[6]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,5|C<4>,5|H<1>}	O(C[6]C[5,5,6]C[6]H)(SiC3)	H(C[6]C[5,5,6]C[6]O)	108.4860	0.109	2	108.4860	0.012	2	108.4860	0.012	2	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H)	O(C[6]C[5,6,6]C[5,6]H)(CH3)	H(C[6]C[5,6,6]C[5,6]O)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6]N[5,6]C[5]H)(OC)(H){2|C<3>,4|C<4>,5|H<1>}	O(C[6]C[5,6,6]C[5,6]H)(CH3)	H(C[6]C[5,6,6]C[5,6]O)	110.1770	0.000	1	110.1770	0.000	1	110.1770	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6,6]C[6]H)(CHHO)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,1|S<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6,6]C[6]H)(CHHO)	H(C[6]C[5,6,6]C[6]O)	109.5330	0.000	1	109.5330	0.000	1	109.2145	0.203	2	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H)	O(C[6]C[5,6,6]C[6]H)(CHHO)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[3x5]O[6])(C[6]C[6]CH)(OC)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6,6]C[6]H)(CHHO)	H(C[6]C[5,6,6]C[6]O)	108.8960	0.000	1	108.8960	0.000	1	109.2145	0.203	2	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[5,6,6]C[6]H)(SiC3)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(OSi)(H){2|H<1>,3|C<4>,3|O<2>}	O(C[6]C[5,6,6]C[6]H)(SiC3)	H(C[6]C[5,6,6]C[6]O)	109.2410	0.000	1	109.2410	0.000	1	109.2910	0.005	2	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H)	O(C[6]C[5,6,6]C[6]H)(SiC3)	H(C[6]C[5,6,6]C[6]O)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[5,6,6]C[6]H)(SiC3)	H(C[6]C[5,6,6]C[6]O)	109.3410	0.000	1	109.3410	0.000	1	109.2910	0.005	2	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	O(C[6]C[5,6]2H)(CC[6a]HH)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5,6]2H)(CC[6a]HH)	H(C[6]C[5,6]2O)	110.1410	0.000	1	110.1410	0.000	1	108.7815	3.696	2	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H)	O(C[6]C[5,6]2H)(CH3)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(OC)(H){2|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5,6]2H)(CH3)	H(C[6]C[5,6]2O)	107.4220	0.000	1	107.4220	0.000	1	108.7815	3.696	2	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)2(OP)(H)	O(C[6]C[5,6]2H)(PO3)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]O[5]H)2(OP)(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]2H)(PO3)	H(C[6]C[5,6]2O)	109.8445	0.616	2	109.8445	0.379	2	109.8445	0.379	2	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H)	O(C[6]C[5,6]2H)(SNOO)	H(C[6]C[5,6]2O)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(OS)(H){2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]2H)(SNOO)	H(C[6]C[5,6]2O)	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H)	O(C[6]C[5,6]C[6,6]H)(C[5]C[5]O[5]C)	H(C[6]C[5,6]C[6,6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(OC[5])(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[5,6]C[6,6]H)(C[5]C[5]O[5]C)	H(C[6]C[5,6]C[6,6]O)	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H)	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC[5,6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]O)	109.7340	0.000	1	109.7340	0.000	1	109.7340	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCHH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCHH)	H(C[6]C[5,6]C[6]O)	108.5800	0.000	1	108.5800	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HO)(OC)(H){1|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	109.5870	0.000	1	109.5870	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	109.6838	0.279	4	109.6838	0.078	4	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]2Ru)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCHH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2Ru)(C[6]C[6]HH)(OC)(H){1|Ru<6>,1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CCHH)	H(C[6]C[5,6]C[6]O)	109.1930	0.938	2	109.1930	0.879	2	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CHHO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(OC)(H){1|O<1>,4|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CHHO)	H(C[6]C[5,6]C[6]O)	108.6230	0.048	2	108.6230	0.002	2	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCHH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CCHH)	H(C[6]C[5,6]C[6]O)	109.9550	0.000	1	109.9550	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	108.9210	0.113	2	108.9210	0.013	2	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OC)(H){1|C<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	108.6690	0.000	1	108.6690	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(OC)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	109.5459	0.844	8	109.5459	0.712	8	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	108.5827	0.026	3	108.5827	0.001	3	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|H<1>,6|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	109.0640	0.000	1	109.0640	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	108.5815	0.246	6	108.5815	0.060	6	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	107.8273	0.793	3	107.8273	0.628	3	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	108.6505	0.076	4	108.6505	0.006	4	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(OC)(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	108.5120	0.000	1	108.5120	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	109.4810	0.000	1	109.4810	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CHHO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]CH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CHHO)	H(C[6]C[5,6]C[6]O)	118.6100	0.000	1	118.6100	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(OC)(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	108.8930	0.000	1	108.8930	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	109.6005	0.540	2	109.6005	0.291	2	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CCHH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CCHH)	H(C[6]C[5,6]C[6]O)	107.4310	0.000	1	107.4310	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	108.2480	0.000	1	108.2480	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	110.2447	2.476	3	110.2447	6.129	3	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	109.8160	0.000	1	109.8062	0.102	5	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	109.6670	0.000	1	109.8062	0.102	5	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	109.8493	0.438	3	109.8062	0.102	5	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CHHO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[5,6]C[6]H)(CHHO)	H(C[6]C[5,6]C[6]O)	110.1400	0.000	1	110.1400	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	112.3530	0.000	1	112.3530	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	109.5840	0.000	1	108.8706	0.311	5	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	108.6923	0.450	4	108.8706	0.311	5	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	107.8320	0.000	1	107.8320	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HO)(OC)(H){5|C<3>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	107.0040	0.000	1	107.0040	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	108.7600	0.000	1	108.7600	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CHHO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CHHO)	H(C[6]C[5,6]C[6]O)	108.7190	0.000	1	108.7190	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	107.8750	0.000	1	107.8750	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]HH)(OC)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	109.2340	0.000	1	109.2340	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	109.6710	0.000	1	109.6710	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(OC)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	109.1450	0.000	1	109.1450	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	109.4090	0.000	1	109.4090	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	109.6230	0.000	1	111.0120	3.859	2	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	112.4010	0.000	1	111.0120	3.859	2	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|I<1>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	109.0455	0.158	2	109.4030	0.395	5	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	109.2110	0.130	2	109.4030	0.395	5	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6]O)	110.5020	0.000	1	109.4030	0.395	5	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(CH3)	H(C[6]C[5,6]C[6]O)	110.1850	0.000	1	110.1850	0.000	1	109.2862	2.155	79	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]2H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(OC[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[5,6]C[6]H)(C[6]C[6]2H)	H(C[6]C[5,6]C[6]O)	109.9125	0.193	2	109.9125	0.037	2	109.6480	0.084	5	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CH)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[5,6]C[6]O)	109.4375	0.241	2	109.4375	0.058	2	109.6480	0.084	5	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H)	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HO)(OC[6])(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]H)	H(C[6]C[5,6]C[6]O)	109.5400	0.000	1	109.5400	0.000	1	109.6480	0.084	5	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H)	O(C[6]C[5,6]C[6]H)(PC[6a]2O)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(PC[6a]2O)	H(C[6]C[5,6]C[6]O)	109.5490	0.799	2	109.5490	0.638	2	109.5490	0.638	2	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	H(C[6]C[5,6]C[6]O)	105.9710	0.000	1	105.9710	0.000	1	109.2043	2.653	6	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H)	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(OS)(H){1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	H(C[6]C[5,6]C[6]O)	109.7765	0.558	2	109.7765	0.311	2	109.2043	2.653	6	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H)	O(C[6]C[5,6]C[6]H)(SCOO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(OS)(H){1|C<4>,2|C<3>,8|H<1>}	O(C[6]C[5,6]C[6]H)(SCOO)	H(C[6]C[5,6]C[6]O)	109.4330	0.000	1	109.4330	0.000	1	109.2043	2.653	6	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(OS)(H)	O(C[6]C[5,6]C[6]H)(SCOO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(OS)(H){4|C<3>,6|H<1>}	O(C[6]C[5,6]C[6]H)(SCOO)	H(C[6]C[5,6]C[6]O)	109.9620	0.000	1	109.9620	0.000	1	109.2043	2.653	6	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H)	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(OS)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(SC[6a]OO)	H(C[6]C[5,6]C[6]O)	110.3070	0.000	1	110.3070	0.000	1	109.2043	2.653	6	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(OSi)(H){1|C<3>,4|C<4>,6|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	108.1235	0.951	2	108.1235	0.905	2	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(OSi)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	107.8030	0.000	1	107.8030	0.000	1	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>,2|S<2>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	108.9130	0.000	1	108.9130	0.000	1	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	109.5140	0.000	1	109.5140	0.000	1	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	109.0860	0.218	2	109.0860	0.047	2	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	108.9020	0.494	2	109.1980	0.385	3	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){3|C<4>,5|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	109.7900	0.000	1	109.1980	0.385	3	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	108.2430	0.000	2	108.2430	0.000	2	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	109.4240	0.000	1	109.4240	0.000	1	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HO)(OSi)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	110.0865	0.080	2	110.0865	0.006	2	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	109.7870	0.000	1	109.7870	0.000	1	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	110.6610	0.000	1	110.6610	0.000	1	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	109.7080	0.000	1	109.7080	0.000	1	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]CC)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	108.0050	0.000	1	108.0050	0.000	1	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	109.8210	0.000	1	109.8210	0.000	1	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[5,6]C[6]H)(SiC3)	H(C[6]C[5,6]C[6]O)	110.0050	0.000	1	110.0050	0.000	1	109.1578	0.741	21	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[5x6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[5x6]C[5,6,6]C[3x6]C[4x6])(C[6]C[6]HH)(OC)(H)	O(C[6]C[5x6]C[6]H)(CH3)	H(C[6]C[5x6]C[6]O)	C[6](C[5x6]C[5,6,6]C[3x6]C[4x6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,4|C<4>,5|H<1>}	O(C[6]C[5x6]C[6]H)(CH3)	H(C[6]C[5x6]C[6]O)	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[5,6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[5,6]C[6,6a]O[5]2)(OC)(H)	O(C[6]C[5,6]C[6,6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]O[6])(C[5,6]C[6,6a]O[5]2)(OC)(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	O(C[6]C[5,6]C[6,6]H)(CC[6a]HH)	H(C[6]C[5,6]C[6,6]O)	107.2420	0.000	1	107.2420	0.000	1	107.2420	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H)	O(C[6]C[6,6]2H)(CC[6a]HH)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]O[6]H)2(OC)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]2H)(CC[6a]HH)	H(C[6]C[6,6]2O)	108.8102	0.131	4	108.8102	0.017	4	108.8102	0.017	4	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6,6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(OS)(H)	O(C[6]C[6,6]2H)(SCOO)	H(C[6]C[6,6]2O)	C[6](C[6,6]C[6,6]O[6]H)2(OS)(H){2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6,6]2H)(SCOO)	H(C[6]C[6,6]2O)	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	110.5410	0.000	1	110.5410	0.000	1	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	108.9378	0.847	61	108.9482	0.698	63	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	109.3300	0.000	1	108.9482	0.698	63	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OC)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	109.2050	0.000	1	108.9482	0.698	63	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,1|S<4>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	107.7045	0.870	2	107.7045	0.758	2	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(OC)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(CCHH)	H(C[6]C[6,6]C[6]O)	108.5220	0.000	1	108.5220	0.000	1	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	109.0000	0.000	1	109.0000	0.000	1	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OC)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(CHHO)	H(C[6]C[6,6]C[6]O)	109.2240	0.000	1	109.2240	0.000	1	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CCCH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CCCH)	H(C[6]C[6,6]C[6]O)	108.1770	0.000	1	108.1770	0.000	1	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	108.5280	0.007	2	108.7743	0.182	3	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	109.2670	0.000	1	108.7743	0.182	3	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	106.0030	0.000	1	108.4325	2.667	4	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	109.2423	0.255	3	108.4325	2.667	4	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]CH)(OC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	109.4570	0.000	1	109.4570	0.000	1	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(OC)(H){1|H<1>,3|C<3>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CHHO)	H(C[6]C[6,6]C[6]O)	110.2240	0.000	1	110.2240	0.000	1	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CHHO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OC)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CHHO)	H(C[6]C[6,6]C[6]O)	108.2120	0.000	1	108.2120	0.000	1	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	109.3530	0.000	1	108.0975	3.153	2	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	106.8420	0.000	1	108.0975	3.153	2	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	109.0040	0.000	1	108.9445	0.007	2	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	108.8850	0.000	1	108.9445	0.007	2	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	109.8055	1.409	8	109.8055	1.984	8	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(CC[6]HH)	H(C[6]C[6,6]C[6]O)	108.5920	0.000	1	108.5920	0.000	1	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	108.9035	0.992	2	108.7883	0.381	4	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	108.6730	0.324	2	108.7883	0.381	4	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OC)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(CH3)	H(C[6]C[6,6]C[6]O)	109.7732	0.354	9	109.7732	0.125	9	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	110.7000	0.000	1	110.7000	0.000	1	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6]C[6]O)	109.2850	0.024	2	109.2850	0.001	2	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6,6]C[6]H)(CC[6a]2H)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]CH)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(CC[6a]2H)	H(C[6]C[6,6]C[6]O)	108.7760	0.000	1	108.7760	0.000	1	109.0440	0.896	110	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H)	O(C[6]C[6,6]C[6]H)(PC[6a]2O)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(PC[6a]2O)	H(C[6]C[6,6]C[6]O)	112.2210	0.000	1	112.2210	0.000	1	111.3350	1.570	2	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H)	O(C[6]C[6,6]C[6]H)(PC[6a]CO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(OP)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(PC[6a]CO)	H(C[6]C[6,6]C[6]O)	110.4490	0.000	1	110.4490	0.000	1	111.3350	1.570	2	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H)	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(OS)(H){1|C<3>,1|H<1>,6|C<4>}	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6]C[6,6]C[6]O)	109.4150	0.098	2	109.4150	0.010	2	109.8325	0.473	13	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H)	O(C[6]C[6,6]C[6]H)(SCOO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(OS)(H){3|C<4>,5|H<1>}	O(C[6]C[6,6]C[6]H)(SCOO)	H(C[6]C[6,6]C[6]O)	109.0020	0.105	2	109.0020	0.011	2	109.8325	0.473	13	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H)	O(C[6]C[6,6]C[6]H)(SCOO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(OS)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(SCOO)	H(C[6]C[6,6]C[6]O)	109.3910	0.000	1	109.3910	0.000	1	109.8325	0.473	13	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H)	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(OS)(H){3|H<1>,5|C<4>}	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6]C[6,6]C[6]O)	110.5700	0.000	1	110.5700	0.000	1	109.8325	0.473	13	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H)	O(C[6]C[6,6]C[6]H)(SCOO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OS)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(SCOO)	H(C[6]C[6,6]C[6]O)	110.6420	0.000	1	110.6420	0.000	1	109.8325	0.473	13	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	O(C[6]C[6,6]C[6]H)(SCOO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){1|O<2>,1|S<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]C[6]H)(SCOO)	H(C[6]C[6,6]C[6]O)	110.0750	0.855	4	110.0750	0.732	4	109.8325	0.473	13	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H)	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(OS)(H){2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6]C[6,6]C[6]O)	109.9660	0.000	1	109.9660	0.000	1	109.8325	0.473	13	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H)	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(OS)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6]C[6,6]C[6]O)	110.1190	0.000	1	110.1190	0.000	1	109.8325	0.473	13	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	107.8590	0.000	1	107.8590	0.000	1	108.4242	0.344	12	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(OSi)(H){2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	108.9860	0.000	1	108.9860	0.000	1	108.4242	0.344	12	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	108.6260	0.000	1	108.6260	0.000	1	108.4242	0.344	12	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	108.7080	0.000	1	108.7080	0.000	1	108.4242	0.344	12	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	109.8760	0.000	1	108.6937	1.054	3	108.4242	0.344	12	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(OSi)(H){4|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	108.1025	0.101	2	108.6937	1.054	3	108.4242	0.344	12	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(OSi)(H){2|C<4>,4|H<1>}	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	108.0650	0.233	4	108.0650	0.054	4	108.4242	0.344	12	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(OSi)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6]C[6]H)(SiC3)	H(C[6]C[6,6]C[6]O)	108.5700	0.000	1	108.5700	0.000	1	108.4242	0.344	12	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	B[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H)	O(B[5]C[5,6a]N[5]O)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(OB[5])(H){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	O(B[5]C[5,6a]N[5]O)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.7550	0.119	4	109.7550	0.014	4	109.7550	0.014	4	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H)	O(C[5]C[5,6a]O[5]C)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	O(C[5]C[5,6a]O[5]C)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.1360	0.000	1	109.1360	0.000	1	109.0128	0.636	47	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[5])(H){1|C<3>,1|C<4>,2|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.5505	0.064	2	109.5505	0.004	2	109.0128	0.636	47	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	O(C[5]C[5,5,6]O[5]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.2722	1.246	4	108.2722	1.553	4	109.0128	0.636	47	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	O(C[5]C[5,5]O[5]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	O(C[5]C[5,5]O[5]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	107.9600	0.000	1	107.9600	0.000	1	109.0128	0.636	47	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	O(C[5]C[5,6]O[5]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	110.0253	1.296	3	110.0253	1.679	3	109.0128	0.636	47	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	O(C[5]C[5,6a]C[5]C)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	O(C[5]C[5,6a]C[5]C)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.3700	0.000	1	109.3700	0.000	1	109.0128	0.636	47	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	O(C[5]C[5,6a]N[5]C)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	O(C[5]C[5,6a]N[5]C)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.5500	0.000	1	109.5500	0.000	1	109.0128	0.636	47	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	O(C[5]C[5]2Fe)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	O(C[5]C[5]2Fe)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.6120	0.000	1	109.6120	0.000	1	109.0128	0.636	47	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	O(C[5]C[5]2O[5])(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	O(C[5]C[5]2O[5])(C[6]C[6]2H)	H(C[6]C[6]2O)	109.5520	0.000	1	109.5520	0.000	1	109.0128	0.636	47	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[5])(H){2|C<4>,3|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.9458	0.689	26	108.9458	0.475	26	109.0128	0.636	47	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[5])(H)	O(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	O(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.6707	0.283	3	108.6707	0.080	3	109.0128	0.636	47	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[5])(H)	O(C[5]C[5]2H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	O(C[5]C[5]2H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.1280	0.000	1	109.1280	0.000	1	109.0128	0.636	47	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[5])(H)	O(C[5]C[5]O[5]C)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	O(C[5]C[5]O[5]C)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.6690	0.000	1	108.6690	0.000	1	109.0128	0.636	47	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[5])(H)	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[5])(H){1|C<4>,4|H<1>}	O(C[5]C[5]O[5]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.7560	0.000	1	109.7560	0.000	1	109.0128	0.636	47	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6,6])(H)	O(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6,6])(H){1|C<4>,4|H<1>}	O(C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.3650	0.000	1	108.3650	0.000	1	108.3650	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]B[5x3,5x5,21x6]HH)(C[6]C[6]HH)(OC)(H){1|C<6>,2|H<1>,4|B<6>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.5840	0.000	1	108.5840	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.7700	0.000	1	109.7700	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HO)(OC)(H){2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.6900	0.000	1	109.6900	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.1905	0.490	2	109.1905	0.240	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]HO)(OC)(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.5740	0.000	1	108.5740	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.2950	0.000	1	108.2950	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC3)	H(C[6]C[6]2O)	108.4030	0.000	1	108.4030	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.4980	0.000	1	108.4980	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	108.1485	0.097	2	108.1485	0.009	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	108.9960	0.000	1	108.9960	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.4780	0.430	2	109.4780	0.185	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.1140	0.000	1	109.1140	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	108.8875	0.302	2	108.8433	0.051	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	108.7550	0.000	1	108.8433	0.051	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.6920	0.000	1	108.6920	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.9410	0.000	1	108.9410	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.7340	0.000	1	108.6335	1.172	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.8680	1.752	2	108.6335	1.172	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.0640	0.000	1	108.6335	1.172	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.1180	0.000	1	109.1180	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.5900	0.000	1	109.5900	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.4095	0.701	2	108.4095	0.491	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(OC)(H){1|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	109.6906	0.570	8	109.6906	0.325	8	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HO)(OC)(H){1|C<4>,3|C<3>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	106.2670	0.440	2	106.2670	0.193	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	110.3893	0.350	4	110.3893	0.122	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC3)	H(C[6]C[6]2O)	108.1823	0.481	3	108.1823	0.231	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCCO)	H(C[6]C[6]2O)	108.9670	0.971	3	108.9670	0.942	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.3928	0.322	5	108.3928	0.104	5	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	108.6870	0.000	1	108.6870	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.9650	0.187	4	108.9650	0.035	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	107.3450	0.000	1	107.3450	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.8235	0.275	2	109.8235	0.076	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.9785	0.547	2	108.6114	0.913	7	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.4646	1.095	5	108.6114	0.913	7	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.2500	0.000	1	109.2500	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	109.2265	0.674	2	109.3577	0.279	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	109.6200	0.000	1	109.3577	0.279	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]2H)	H(C[6]C[6]2O)	109.4700	0.000	1	109.4700	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.9440	0.000	1	108.9440	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.3190	0.000	1	108.6502	0.388	6	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.5270	0.974	2	108.6502	0.388	6	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.5093	0.476	3	108.6502	0.388	6	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	108.7530	0.000	1	108.7530	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	106.1395	0.258	2	106.1395	0.067	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.1760	0.000	1	109.1760	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H)	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	108.0020	0.000	1	108.0020	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	108.9380	0.000	1	108.9380	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.5932	0.338	9	109.5932	0.114	9	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	111.1020	0.000	1	109.7060	0.897	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(OC)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.2407	0.215	3	109.7060	0.897	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	108.7550	0.000	1	108.7550	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	110.4730	0.000	1	110.4730	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.8560	0.091	2	109.8560	0.008	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCCO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCCO)	H(C[6]C[6]2O)	109.1400	0.000	1	109.1400	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.9070	0.283	3	108.9070	0.080	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.1496	0.602	9	108.1496	0.362	9	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.0370	0.000	1	108.0370	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HS)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	109.7400	0.000	1	109.7400	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	109.4370	0.000	1	109.4370	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CC)(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CC)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	108.1840	0.000	1	108.1840	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CF3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CF3)	H(C[6]C[6]2O)	110.2300	0.000	1	110.2300	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(OC)(H){2|C<3>,2|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.8220	0.000	1	109.8220	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]Br2)(C[6]C[6]OO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]Br2)(C[6]C[6]OO)(OC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.6280	1.853	2	108.6280	3.432	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,4|H<1>}	O(C[6]C[6]2H)(CC3)	H(C[6]C[6]2O)	111.2570	0.000	1	111.2570	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.0840	0.000	1	108.0840	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.1150	0.000	1	109.0920	0.001	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.0690	0.000	1	109.0920	0.001	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	108.4248	0.076	4	108.4248	0.006	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6]HH)	H(C[6]C[6]2O)	108.6317	0.313	4	108.6317	0.098	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]CH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]CH)	H(C[6]C[6]2O)	108.7606	0.338	5	108.7606	0.114	5	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.0357	0.359	3	109.0357	0.129	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.7130	0.000	1	108.7130	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CN[5]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CN[5]HH)	H(C[6]C[6]2O)	108.8828	0.291	5	108.8828	0.085	5	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CN[5a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CN[5a]HH)	H(C[6]C[6]2O)	109.3195	0.141	2	109.3195	0.020	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CP[5]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CP[5]HH)	H(C[6]C[6]2O)	108.7250	0.000	1	108.7250	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.3688	0.299	4	108.3688	0.089	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	110.5600	2.228	4	110.5600	4.963	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.0860	0.000	1	109.0860	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.9340	0.000	1	108.9340	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.0926	0.416	5	109.1935	0.200	6	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.6980	0.000	1	109.1935	0.200	6	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]ClFe)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClFe)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.2890	0.000	1	108.2890	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	107.7790	0.558	4	107.7790	0.311	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H){1|C<4>,2|F<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.1820	0.000	1	109.1820	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.1130	1.281	2	109.1130	1.642	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.4270	0.000	1	109.4270	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	O(C[6]C[6]2H)(CC[5a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[5a]HH)	H(C[6]C[6]2O)	109.0840	0.000	1	109.0840	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.4700	0.000	1	109.4700	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.3600	0.000	1	109.3600	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	108.4630	0.947	67	108.4630	0.897	67	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]CH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]CH)	H(C[6]C[6]2O)	108.6870	0.000	1	108.6870	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.4680	0.000	1	109.1536	0.059	5	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.2070	0.000	2	109.1536	0.059	5	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.0860	0.000	1	109.1536	0.059	5	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.8000	0.000	1	109.1536	0.059	5	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.5670	0.000	1	109.4787	0.469	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.7827	0.387	3	109.4787	0.469	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<3>,1|C<4>,1|S<4>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	110.3570	0.000	1	110.3570	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H)	O(C[6]C[6]2H)(CF3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OC)(H){1|S<4>,3|C<4>}	O(C[6]C[6]2H)(CF3)	H(C[6]C[6]2O)	109.3615	0.170	2	109.3615	0.029	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	O(C[6]C[6]2H)(CC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC3)	H(C[6]C[6]2O)	108.5770	0.031	2	108.5770	0.001	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H)	O(C[6]C[6]2H)(CC[5]CH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[5]CH)	H(C[6]C[6]2O)	109.1837	1.328	3	109.1837	1.765	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	107.7480	0.000	1	107.7480	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.6820	0.446	3	109.6820	0.199	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	110.9280	0.000	1	110.9280	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6]HH)	H(C[6]C[6]2O)	108.1996	0.455	8	108.1996	0.207	8	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]CH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]CH)	H(C[6]C[6]2O)	108.8060	0.000	1	108.8060	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	106.7040	0.000	1	108.2124	1.476	5	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.5895	1.010	4	108.2124	1.476	5	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.4260	0.000	1	109.2211	0.274	8	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.2978	0.577	4	109.2211	0.274	8	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<3>,4|C<4>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.1535	0.838	2	109.2211	0.274	8	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC)(H){1|N<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.8450	0.000	1	109.2211	0.274	8	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HI)(C[6]C[6]HO)(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	110.6063	0.182	4	110.6063	0.033	4	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.3230	0.000	1	109.1763	0.225	15	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.8740	0.000	1	109.1763	0.225	15	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.6010	0.000	1	109.1763	0.225	15	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.3209	0.380	8	109.1763	0.225	15	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.0700	0.558	4	109.1763	0.225	15	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.8440	0.000	1	109.8440	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(OC)(H){2|C<3>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.6020	0.000	1	109.6020	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]HW)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]C[6]HW)(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.0950	0.000	2	109.0950	0.000	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	110.6955	0.166	2	110.4658	0.061	5	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	110.3127	0.144	3	110.4658	0.061	5	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CC)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.0340	0.000	1	109.0340	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	109.2180	0.000	1	109.2180	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[5a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[5a]HH)	H(C[6]C[6]2O)	108.9525	0.438	6	108.9525	0.192	6	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.2570	0.000	1	109.6584	0.593	41	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<3>,1|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.2880	0.000	1	109.6584	0.593	41	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.0480	0.000	1	109.6584	0.593	41	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.2205	0.253	4	109.6584	0.593	41	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.8389	0.967	19	109.6584	0.593	41	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<3>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	110.1880	0.000	1	109.6584	0.593	41	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|Cl<1>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.7320	0.705	4	109.6584	0.593	41	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,1|O<2>,1|P<4>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.7843	0.215	3	109.6584	0.593	41	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.6843	0.444	4	109.6584	0.593	41	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|N<3>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.2480	0.000	1	109.6584	0.593	41	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){2|C<3>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.5630	0.277	2	109.6584	0.593	41	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.7939	0.317	12	109.7858	0.093	13	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.6890	0.000	1	109.7858	0.093	13	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.3340	0.000	1	109.3340	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.6480	0.000	1	109.6480	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.8910	0.297	2	109.8910	0.088	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.9850	0.000	1	108.9850	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	109.4200	0.000	1	109.4200	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.9981	0.851	12	108.9981	0.724	12	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	107.7090	0.000	1	108.9642	0.846	31	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.0060	0.905	30	108.9642	0.846	31	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.4327	2.109	3	108.4327	4.450	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.1320	0.000	1	109.3800	0.129	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.5040	0.407	2	109.3800	0.129	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	109.0440	0.000	1	109.0440	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	110.0400	0.000	1	109.0706	0.416	44	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.9667	0.202	3	109.0706	0.416	44	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.2615	0.029	2	109.0706	0.416	44	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.4105	0.120	2	109.0706	0.416	44	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.8887	0.236	3	109.0706	0.416	44	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.8095	0.004	2	109.0706	0.416	44	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.1615	0.638	18	109.0706	0.416	44	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.0785	0.556	2	109.0706	0.416	44	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	107.0040	0.000	1	109.0706	0.416	44	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.3400	0.000	1	109.0706	0.416	44	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	108.7790	0.000	1	109.0706	0.416	44	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.2936	0.626	8	109.0706	0.416	44	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.6135	1.178	4	109.2484	0.548	45	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<3>,3|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	110.2900	0.000	1	109.2484	0.548	45	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.9270	0.000	1	109.2484	0.548	45	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.3089	0.668	36	109.2484	0.548	45	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.2570	0.000	1	109.2484	0.548	45	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC)(H){2|O<2>,3|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.5650	0.451	2	109.2484	0.548	45	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HW)(C[6]N[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HW)(C[6]N[6]HO)(OC)(H){1|C<3>,1|H<1>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.7820	0.000	1	109.7820	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.6800	0.000	1	109.3660	0.111	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(OC)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.2090	0.273	2	109.3660	0.111	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6]O[6]H)(C[6]O[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	110.4550	0.000	1	110.4550	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	109.3940	0.000	1	109.8290	0.378	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(CHHO)	H(C[6]C[6]2O)	110.2640	0.000	1	109.8290	0.378	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.9260	0.127	2	109.9260	0.016	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]HO)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	108.6300	0.000	1	108.6300	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]C)(C[6]C[6]N[5]H)(OC)(H){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.5940	0.000	1	109.5940	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.5780	0.150	2	109.5780	0.022	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H)	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[6]2H)(CC[6a]HH)	H(C[6]C[6]2O)	109.8363	0.169	3	109.8363	0.029	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(OC)(H){1|H<1>,1|S<4>}	O(C[6]C[6]2H)(CH3)	H(C[6]C[6]2O)	109.5900	0.530	2	109.5900	0.281	2	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CC3)	H(C[6]C[6]2O)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	O(C[6]C[6]2H)(CC3)	H(C[6]C[6]2O)	113.0793	2.800	3	113.0793	7.840	3	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	C[6](C[6]O[6]CC)(C[6]O[6]HH)(OC)(H){1|C<3>}	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	108.7220	0.000	1	108.7220	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	O(C[6]C[6]2H)(CCCH)	H(C[6]C[6]2O)	111.0000	0.000	1	111.0000	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H)	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC)(H){1|C<4>}	O(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2O)	110.3210	0.000	1	110.3210	0.000	1	109.0851	0.938	552	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.3950	0.000	1	108.4534	0.334	8	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.3189	0.469	7	108.4534	0.334	8	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.4378	0.218	6	109.4378	0.047	6	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	108.9260	0.000	1	108.9260	0.000	1	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.7335	0.220	2	108.9088	0.045	5	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OC[6])(H){2|C<4>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.0257	0.119	3	108.9088	0.045	5	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.8140	0.000	1	108.8140	0.000	1	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(OC[6])(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	109.5830	0.000	1	109.5830	0.000	1	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CN)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.7670	0.000	1	108.7670	0.000	1	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H)	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OC[6])(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	108.9550	0.000	1	108.9550	0.000	1	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H)	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(OC[6])(H){1|C<3>,2|H<1>}	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	107.9520	0.000	1	107.9520	0.000	1	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	110.2170	0.000	1	110.2170	0.000	1	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OC[6])(H){1|C<4>,2|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.3750	0.000	1	109.3750	0.000	1	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OC[6])(H){1|C<4>,4|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.5410	0.000	1	108.5410	0.000	1	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(OC[6])(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.8230	0.556	4	109.8230	0.309	4	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	110.2620	0.000	1	110.2620	0.000	1	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<3>,1|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	110.3170	0.000	1	109.6798	0.409	93	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.9464	0.499	10	109.6798	0.409	93	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.6395	0.649	82	109.6798	0.409	93	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.4565	0.103	2	109.4565	0.011	2	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	110.3135	0.325	4	109.8606	0.720	12	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OC[6])(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.6341	0.954	8	109.8606	0.720	12	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OC[6])(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.6568	0.654	4	108.6568	0.427	4	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H)	O(C[6]C[5,6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5,6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.0040	0.000	1	109.0040	0.000	1	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H)	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]O[6]H)(C[6]C[6]2H)	H(C[6]C[6]2O)	109.1145	0.340	2	109.1145	0.116	2	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H)	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(OC[6])(H){1|C<4>}	O(C[6]C[6]2H)2	H(C[6]C[6]2O)	108.6920	0.000	1	108.6920	0.000	1	109.5101	0.519	148	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PC[6a]SS)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OP)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(PC[6a]SS)	H(C[6]C[6]2O)	109.2340	0.000	1	109.2340	0.000	1	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H)	O(C[6]C[6]2H)(PC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HN)(OP)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(PC[6a]OO)	H(C[6]C[6]2O)	109.9190	0.000	1	109.9190	0.000	1	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PCCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PCCO)	H(C[6]C[6]2O)	109.4235	0.667	2	109.4235	0.445	2	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PC[6a]2B)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]2B)	H(C[6]C[6]2O)	109.2674	0.299	7	109.2674	0.090	7	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PC[6a]2Pd)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]2Pd)	H(C[6]C[6]2O)	109.4125	0.009	2	109.4125	0.000	2	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PC[6a]CO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]CO)	H(C[6]C[6]2O)	109.0334	0.638	12	109.0334	0.407	12	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PC[6a]NO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]NO)	H(C[6]C[6]2O)	109.1167	0.178	4	109.1167	0.032	4	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PC[6a]OS)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]OS)	H(C[6]C[6]2O)	108.8205	0.091	2	108.8205	0.008	2	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PC[6a]PtO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PC[6a]PtO)	H(C[6]C[6]2O)	109.2210	0.000	1	109.2210	0.000	1	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PFOS)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PFOS)	H(C[6]C[6]2O)	108.8070	0.000	1	108.8070	0.000	1	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PO3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PO3)	H(C[6]C[6]2O)	109.3207	0.812	3	109.3207	0.659	3	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PPdCO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PPdCO)	H(C[6]C[6]2O)	109.0840	0.000	1	109.0840	0.000	1	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PPdNN)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(PPdNN)	H(C[6]C[6]2O)	109.5940	0.030	2	109.5940	0.001	2	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PO3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(OP)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PO3)	H(C[6]C[6]2O)	108.7750	0.000	1	108.7750	0.000	1	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H)	O(C[6]C[6]2H)(PC[6a]2Ru)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OP)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PC[6a]2Ru)	H(C[6]C[6]2O)	110.0795	0.725	4	110.0795	0.525	4	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(OP)(H)	O(C[6]C[6]2H)(PC[6]2Pd)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(OP)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PC[6]2Pd)	H(C[6]C[6]2O)	107.8730	0.000	1	107.8730	0.000	1	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OP)(H)	O(C[6]C[6]2H)(PCOS)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PCOS)	H(C[6]C[6]2O)	109.5480	0.000	1	109.5480	0.000	1	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OP)(H)	O(C[6]C[6]2H)(PC[5]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PC[5]OO)	H(C[6]C[6]2O)	109.7550	0.000	1	109.7550	0.000	1	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OP)(H)	O(C[6]C[6]2H)(PCoOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PCoOO)	H(C[6]C[6]2O)	109.7100	0.288	3	109.7100	0.083	3	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OP)(H)	O(C[6]C[6]2H)(PNiCC)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(PNiCC)	H(C[6]C[6]2O)	109.0935	0.216	2	109.0935	0.047	2	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OP)(H)	O(C[6]C[6]2H)(PO3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PO3)	H(C[6]C[6]2O)	109.3220	0.332	2	109.3220	0.110	2	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OP)(H)	O(C[6]C[6]2H)(POSS)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(POSS)	H(C[6]C[6]2O)	109.5475	0.023	2	109.5475	0.001	2	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OP)(H)	O(C[6]C[6]2H)(PPtCC)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(PPtCC)	H(C[6]C[6]2O)	108.6165	0.651	2	108.6165	0.424	2	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OP)(H)	O(C[6]C[6]2H)(PC[6a]2C)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(PC[6a]2C)	H(C[6]C[6]2O)	110.1100	0.313	2	110.1100	0.098	2	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OP)(H)	O(C[6]C[6]2H)(PO3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OP)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(PO3)	H(C[6]C[6]2O)	109.6835	0.032	2	109.6835	0.001	2	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(OP)(H)	O(C[6]C[6]2H)(PIrCC)	H(C[6]C[6]2O)	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(OP)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(PIrCC)	H(C[6]C[6]2O)	107.2795	0.904	4	107.2795	0.818	4	109.1777	0.580	66	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	110.7060	0.000	1	110.7060	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]CH)(C[6]C[6]CH)(OS)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	109.0150	0.000	1	109.0150	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H)	O(C[6]C[6]2H)(SO3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(OS)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SO3)	H(C[6]C[6]2O)	109.6310	0.000	1	109.6310	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	109.9530	0.000	2	109.9530	0.000	2	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	109.0500	0.000	1	109.1635	0.040	4	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)2(OS)(H){1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	109.2013	0.225	3	109.1635	0.040	4	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(OS)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	109.9680	0.000	1	109.9680	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	110.7160	0.000	1	110.7160	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	109.8403	0.072	3	109.7782	0.019	4	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	109.5920	0.000	1	109.7782	0.019	4	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(OS)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	109.6580	0.000	1	109.6580	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	110.8380	0.000	1	110.8380	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	110.0643	0.926	4	110.0643	0.858	4	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(OS)(H){2|C<3>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	110.8080	0.000	1	110.8080	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	109.8120	0.000	1	109.8120	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OS)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	109.9723	0.211	3	109.9723	0.044	3	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H)	O(C[6]C[6]2H)(SClOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|I<1>,2|H<1>}	O(C[6]C[6]2H)(SClOO)	H(C[6]C[6]2O)	111.1660	0.000	1	111.1660	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	110.4810	0.000	1	110.4810	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	111.4680	0.000	1	111.4680	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]FH)2(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]FH)2(OS)(H){1|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	111.4350	0.000	1	111.4350	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OS)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	109.3095	2.125	2	109.3095	4.515	2	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H)	O(C[6]C[6]2H)(SC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(OS)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SC3)	H(C[6]C[6]2O)	109.3130	0.127	2	109.3130	0.016	2	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(OS)(H){1|C<3>,1|C<4>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	105.8140	4.442	3	105.8140	19.731	3	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	109.8970	0.000	1	109.4603	3.397	7	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	109.9630	0.000	1	109.4603	3.397	7	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	108.3737	2.617	3	109.4603	3.397	7	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|N<3>,4|C<4>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	110.6205	0.042	2	109.4603	3.397	7	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|C<3>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	106.2710	0.000	1	108.5168	5.243	8	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	108.5273	2.319	6	108.5168	5.243	8	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OS)(H){1|N<3>,4|C<4>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	110.6990	0.000	1	108.5168	5.243	8	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	109.2710	1.387	2	109.2710	1.925	2	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OS)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	110.5700	0.000	1	110.5700	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HP)(OS)(H){1|N<3>,2|H<1>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	109.8450	0.000	1	109.8450	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OS)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	110.6545	0.217	2	110.6545	0.047	2	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OS)(H)	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OS)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2O)	110.0640	0.000	1	110.0640	0.000	1	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	110.3970	0.000	1	110.2380	0.051	2	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|F<1>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	110.0790	0.000	1	110.2380	0.051	2	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H)	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(OS)(H){4|C<3>}	O(C[6]C[6]2H)(SCOO)	H(C[6]C[6]2O)	110.3935	0.101	2	110.3935	0.010	2	109.5585	2.950	63	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.8880	0.000	1	108.8880	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(OSi)(H){1|O<2>,4|C<4>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.6840	0.000	1	109.6840	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.4960	0.000	1	109.4960	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.1500	0.000	1	109.1500	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(OSi)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.4410	0.000	1	108.4410	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.2970	0.000	1	108.6770	0.769	2	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.0570	0.000	1	108.6770	0.769	2	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.2150	0.000	1	108.2150	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]CH)(OSi)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.6732	0.635	6	108.6732	0.404	6	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.4290	0.000	1	109.4290	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.8780	0.122	4	108.7115	0.160	6	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.3785	0.651	2	108.7115	0.160	6	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.4750	0.000	1	109.4750	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.9520	0.000	1	108.9520	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.0604	0.066	5	108.0604	0.004	5	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(OSi)(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.2660	0.000	1	108.2660	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.8810	0.000	1	109.8810	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.8310	0.000	1	109.8310	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.8541	0.334	8	108.7115	0.177	10	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(OSi)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.1410	0.000	2	108.7115	0.177	10	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.9210	0.000	2	108.5870	2.373	4	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6,6]HO)(C[6]O[6]CC)(OSi)(H){1|C<3>,1|C<4>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	107.2530	0.000	2	108.5870	2.373	4	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.4240	0.000	1	108.2510	0.060	2	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(OSi)(H){2|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.0780	0.000	1	108.2510	0.060	2	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.1800	0.000	1	109.3120	0.035	2	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,1|S<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.4440	0.000	1	109.3120	0.035	2	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC[6a]2C)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC[6a]2C)	H(C[6]C[6]2O)	108.6680	0.003	2	108.6680	0.000	2	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.1885	0.176	2	108.4187	0.090	6	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.1630	0.000	1	108.4187	0.090	6	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.6360	0.000	1	108.4187	0.090	6	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.6680	0.272	2	108.4187	0.090	6	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]CH)2(OSi)(H)	O(C[6]C[6]2H)(SiSi3)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)2(OSi)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(SiSi3)	H(C[6]C[6]2O)	109.2685	0.154	4	109.2685	0.024	4	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]FeH)(C[6]C[6]CO)(OSi)(H){1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.3970	0.000	1	109.3970	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.4480	0.437	2	109.5877	0.154	3	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.8670	0.000	1	109.5877	0.154	3	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.4820	0.000	1	108.8945	0.340	2	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.3070	0.000	1	108.8945	0.340	2	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H)	O(C[6]C[6]2H)(SiC[6a]2C)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OSi)(H){1|C<4>,3|H<1>}	O(C[6]C[6]2H)(SiC[6a]2C)	H(C[6]C[6]2O)	109.3250	0.000	1	109.3250	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.6920	0.000	1	108.6920	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.8580	0.559	2	109.9670	0.099	5	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OSi)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	110.2130	0.000	1	109.9670	0.099	5	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OSi)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.9530	0.000	2	109.9670	0.099	5	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HH)2(OSi)(H)	O(C[6]C[6]2H)(SiO3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OSi)(H){1|N<3>,4|C<4>}	O(C[6]C[6]2H)(SiO3)	H(C[6]C[6]2O)	109.8095	0.367	4	109.8095	0.135	4	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.6240	0.000	1	109.6240	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OSi)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.8310	0.000	1	109.8310	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.6910	0.433	5	109.7335	0.161	6	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(OSi)(H){1|H<1>,2|C<4>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.9460	0.000	1	109.7335	0.161	6	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.0990	0.321	4	109.0990	0.103	4	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(OSi)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	110.3210	0.000	1	110.3210	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	108.5600	0.000	1	109.3030	0.352	4	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6]HO)2(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6]HO)2(OSi)(H){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.5507	0.401	3	109.3030	0.352	4	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){3|C<3>,3|H<1>}	O(C[6]C[6]2H)(SiC3)	H(C[6]C[6]2O)	109.5100	0.000	1	109.5100	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H)	O(C[6]C[6]2H)(SiC[6a]CO)	H(C[6]C[6]2O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OSi)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]2H)(SiC[6a]CO)	H(C[6]C[6]2O)	107.6520	0.000	1	107.6520	0.000	1	109.0224	0.510	97	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	P-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H)	O(PC[6a]C[6]O)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP)(H){2|C<4>,3|H<1>}	O(PC[6a]C[6]O)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:O-2:H-1:	P[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H)	O(P[5]N[5,6]2S)(C[6]C[6]2H)	H(C[6]C[6]2O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(OP[5])(H){2|C<4>,3|H<1>}	O(P[5]N[5,6]2S)(C[6]C[6]2H)	H(C[6]C[6]2O)	108.9640	0.000	1	108.9640	0.000	1	108.9640	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:4:	4:	P[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H)	O(C[6]C[6]P[6]H)(CCHH)	H(C[6]C[6]P[6]O)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H){1|C<4>,2|H<1>,6|C<3>}	O(C[6]C[6]P[6]H)(CCHH)	H(C[6]C[6]P[6]O)	104.5200	0.000	1	104.5200	0.000	1	104.5200	0.000	1	109.1395	1.062	1305	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:5:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-5:	C[6]-4:	C[6](C[6]C[6]HH)2(OP)(H)	O(C[6]C[6]2H)(PNiOSS)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PNiOSS)	H(C[6]C[6]2O)	109.9900	0.006	2	109.9900	0.000	2	109.3372	0.171	21	109.3372	0.171	21	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:5:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-5:	C[6]-4:	C[6](C[6]C[6]HH)2(OP)(H)	O(C[6]C[6]2H)(PO4)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PO4)	H(C[6]C[6]2O)	109.1810	0.275	17	109.1810	0.076	17	109.3372	0.171	21	109.3372	0.171	21	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	4:4:2:1:	4:5:	4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:P-5:	C[6]-4:	C[6](C[6]C[6]HH)2(OP)(H)	O(C[6]C[6]2H)(PPtOSS)	H(C[6]C[6]2O)	C[6](C[6]C[6]HH)2(OP)(H){1|C<4>,4|H<1>}	O(C[6]C[6]2H)(PPtOSS)	H(C[6]C[6]2O)	110.0125	0.172	2	110.0125	0.030	2	109.3372	0.171	21	109.3372	0.171	21	108.7953	1.654	6566	108.7965	1.642	6864
466	893	951	0:SP3_SP-NON_SP3	C[6]	O	H	6:4:2:1:	4:4:	4:	B[5x3,5x5,21x6]-6:C[6]-4:O-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(OC)(H)	O(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)	H(C[6]B[5x3,5x5,21x6]C[6]O)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(OC)(H){1|C<4>,5|B<6>,6|H<1>}	O(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)	H(C[6]B[5x3,5x5,21x6]C[6]O)	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	108.7953	1.654	6566	108.7965	1.642	6864